#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgg h LEU 32 N 0.00 0.27 -8.03 2.23 5.85 -2.06 -3.42 115.31 110.15 2pgg h LEU 32 Ca 0.00 -0.87 -0.68 0.00 0.84 0.00 0.00 57.88 57.17 2pgg h LEU 32 Cb 0.00 -0.09 -0.33 0.00 0.37 0.00 0.00 40.66 40.61 2pgg h LEU 32 CO 0.00 1.40 -0.69 -0.63 -0.34 0.00 0.00 178.44 178.18 2pgg s ILE 33 N -2.39 3.02 0.66 4.05 -1.09 -1.26 -5.06 121.20 119.13 2pgg s ILE 33 Ca -0.19 -1.43 -0.18 0.00 -2.23 0.00 0.00 60.65 56.63 2pgg s ILE 33 Cb 0.02 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2pgg s ILE 33 CO 0.74 -0.15 1.23 -2.65 -1.23 0.00 0.00 174.94 172.89 2pgg n PRO 34 N 4.62 1.00 -2.54 2.79 -0.02 -1.26 -5.00 135.00 134.59 2pgg n PRO 34 Ca -0.12 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 2pgg n PRO 34 Cb 0.43 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 2pgg n PRO 34 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2pgg s LYS 35 N -3.35 3.73 0.29 -0.52 -2.85 -1.26 -4.99 119.74 110.79 2pgg s LYS 35 Ca 0.81 0.56 -0.28 0.00 -1.00 0.00 0.00 55.97 56.07 2pgg s LYS 35 Cb -0.38 -2.28 -0.14 0.00 -2.06 0.00 0.00 37.83 32.97 2pgg s LYS 35 CO 0.42 -0.22 0.94 0.28 0.10 0.00 0.00 175.35 176.87 2pgg n VAL 36 N -1.82 2.01 -3.58 1.79 0.31 -1.26 -4.93 118.33 110.84 2pgg n VAL 36 Ca 0.03 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.50 2pgg n VAL 36 Cb 0.54 -0.88 -0.07 0.00 -0.91 0.00 0.00 33.84 32.53 2pgg n VAL 36 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2pgg s TRP 37 N -1.07 3.54 -0.35 3.52 -0.00 -1.26 -5.06 118.94 118.27 2pgg s TRP 37 Ca 0.59 0.67 -0.10 0.00 -0.00 0.00 0.00 56.10 57.26 2pgg s TRP 37 Cb -0.72 -2.27 0.01 0.00 -0.00 0.00 0.00 33.47 30.50 2pgg s TRP 37 CO 0.59 0.41 0.18 0.08 -0.00 0.00 0.00 176.95 178.22 2pgg s VAL 38 N -0.12 4.59 0.46 5.86 1.01 -1.26 -4.83 120.40 126.11 2pgg s VAL 38 Ca 0.18 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2pgg s VAL 38 Cb -0.14 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2pgg s VAL 38 CO 0.06 -0.10 1.41 -2.84 0.00 0.00 0.00 175.10 173.63 2pgg s PRO 39 N 1.58 3.62 1.14 2.72 0.02 -1.26 -4.94 135.00 137.89 2pgg s PRO 39 Ca 0.03 2.37 -0.13 0.00 0.02 0.00 0.00 61.00 63.30 2pgg s PRO 39 Cb -0.18 -2.60 0.27 0.00 0.02 0.00 0.00 34.50 32.01 2pgg s PRO 39 CO 0.06 -0.85 1.04 -1.25 -0.33 0.00 0.00 177.00 175.67 2pgg s PRO 40 N -2.50 -0.76 0.34 5.54 0.04 -1.26 -3.61 135.00 132.78 2pgg s PRO 40 Ca 0.62 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 2pgg s PRO 40 Cb -0.43 -1.58 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2pgg s PRO 40 CO 0.54 -3.59 1.01 -2.00 0.04 0.00 0.00 177.00 173.00 2pgg s GLU 41 N -4.56 4.46 -0.60 4.56 2.12 -1.26 -4.39 118.70 119.02 2pgg s GLU 41 Ca 0.68 1.49 -0.27 0.00 0.36 0.00 0.00 54.97 57.22 2pgg s GLU 41 Cb -0.24 -2.80 0.03 0.00 0.26 0.00 0.00 34.13 31.38 2pgg s GLU 41 CO 0.63 0.13 1.17 0.34 -0.54 0.00 0.00 175.26 176.99 2pgg s ASP 42 N -1.44 6.39 0.42 -1.70 -1.08 -1.26 -4.91 116.67 113.08 2pgg s ASP 42 Ca 0.51 -0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.78 2pgg s ASP 42 Cb -0.23 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.17 2pgg s ASP 42 CO 0.29 -1.49 1.89 -0.65 0.52 0.00 0.00 175.17 175.72 2pgg h PRO 43 N 9.58 0.00 -0.12 4.34 0.11 -1.98 -3.00 132.00 140.92 2pgg h PRO 43 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2pgg h PRO 43 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2pgg h PRO 43 CO 1.19 0.00 -0.33 1.28 -0.21 0.00 0.00 178.00 179.93 2pgg n LEU 44 N -2.56 3.18 -0.91 2.35 4.77 -1.26 -4.82 117.00 117.75 2pgg n LEU 44 Ca -0.01 -3.81 0.00 0.00 -0.03 0.00 0.00 56.01 52.16 2pgg n LEU 44 Cb 0.12 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2pgg n LEU 44 CO 0.16 1.31 0.35 0.00 -1.33 0.00 0.00 177.39 177.89 2pgg n ALA 45 N -1.13 2.25 -3.29 -1.18 0.00 -1.14 -4.39 120.51 111.63 2pgg n ALA 45 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 2pgg n ALA 45 Cb 0.81 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 2pgg n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pgg s SER 46 N 0.79 -0.33 0.27 0.00 1.04 -1.26 -5.06 113.70 109.15 2pgg s SER 46 Ca 0.00 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2pgg s SER 46 Cb 0.00 0.54 0.61 0.00 0.10 0.00 0.00 66.02 67.27 2pgg s SER 46 CO 0.00 -0.33 1.71 -0.65 0.98 0.00 0.00 173.24 174.94 2pgg h PRO 47 N 4.48 0.40 -0.67 4.02 0.11 -1.98 -1.04 132.00 137.31 2pgg h PRO 47 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 2pgg h PRO 47 Cb 1.18 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2pgg h PRO 47 CO 0.34 0.26 0.38 0.66 -0.21 0.00 0.00 178.00 179.43 2pgg h SER 48 N 0.41 0.83 -0.14 -2.05 4.64 -1.97 -1.49 113.55 113.77 2pgg h SER 48 Ca 0.50 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.66 2pgg h SER 48 Cb 0.87 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2pgg h SER 48 CO -0.49 0.67 -0.21 0.03 -0.87 0.00 0.00 176.83 175.96 2pgg h ARG 49 N 0.92 0.40 -0.19 4.77 2.47 -1.66 -2.77 114.38 118.31 2pgg h ARG 49 Ca 0.24 -0.23 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2pgg h ARG 49 Cb 0.01 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 2pgg h ARG 49 CO -0.04 0.81 -0.00 1.25 0.56 0.00 0.00 179.97 182.55 2pgg h LEU 50 N 0.01 -0.08 -0.90 3.04 6.46 -1.14 -1.37 115.31 121.33 2pgg h LEU 50 Ca 0.02 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2pgg h LEU 50 Cb 0.77 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 2pgg h LEU 50 CO 0.05 -0.01 0.51 0.00 -0.62 0.00 0.00 178.44 178.37 2pgg h ALA 51 N 1.16 1.15 -0.08 1.25 0.00 -1.34 -0.99 119.26 120.40 2pgg h ALA 51 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pgg h ALA 51 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2pgg h ALA 51 CO -0.15 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.55 2pgg h LYS 52 N 1.25 0.08 0.09 0.00 3.64 -1.16 0.14 116.57 120.61 2pgg h LYS 52 Ca 0.32 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2pgg h LYS 52 Cb -0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2pgg h LYS 52 CO -0.05 0.05 -0.11 0.35 -2.27 0.00 0.00 179.45 177.42 2pgg h PHE 53 N 0.08 -0.28 -0.05 1.91 3.57 -0.87 -0.32 116.94 120.99 2pgg h PHE 53 Ca 0.03 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2pgg h PHE 53 Cb 0.01 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2pgg h PHE 53 CO -0.09 -0.17 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.74 2pgg h LEU 54 N -0.23 -0.05 -0.63 0.59 3.38 -1.05 -2.21 115.31 115.11 2pgg h LEU 54 Ca 0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2pgg h LEU 54 Cb 0.23 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2pgg h LEU 54 CO -0.04 -0.02 0.37 -0.09 0.09 0.00 0.00 178.44 178.75 2pgg h ARG 55 N -0.00 0.69 0.00 1.13 9.65 -0.58 0.98 114.38 126.25 2pgg h ARG 55 Ca 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2pgg h ARG 55 Cb 0.04 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2pgg h ARG 55 CO -0.05 0.46 0.00 -0.85 2.80 0.00 0.00 179.97 182.33 2pgg n GLU 56 N -4.76 0.03 -0.46 0.20 0.28 -0.14 -2.32 120.64 113.47 2pgg n GLU 56 Ca 0.07 0.16 0.09 0.00 -0.16 0.00 0.00 57.16 57.32 2pgg n GLU 56 Cb 0.12 -1.55 0.31 0.00 1.43 0.00 0.00 31.44 31.75 2pgg n GLU 56 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pgg n ASN 57 N -1.62 4.17 -1.39 -1.84 4.13 -0.63 -4.93 115.26 113.16 2pgg n ASN 57 Ca 0.05 -2.27 -0.14 0.00 1.68 0.00 0.00 54.58 53.90 2pgg n ASN 57 Cb 0.26 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 37.98 2pgg n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pgg n GLY 58 N 1.09 0.45 3.61 7.41 0.00 -0.98 -4.97 105.19 111.80 2pgg n GLY 58 Ca 0.23 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2pgg n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pgg s TYR 59 N -2.63 3.25 0.15 1.61 5.04 0.24 -5.02 117.35 120.00 2pgg s TYR 59 Ca 0.00 0.58 -0.31 0.00 -2.44 0.00 0.00 57.07 54.90 2pgg s TYR 59 Cb 0.00 -2.76 -0.11 0.00 0.35 0.00 0.00 41.96 39.44 2pgg s TYR 59 CO 0.00 -0.33 1.78 0.21 -1.34 0.00 0.00 175.55 175.88 2pgg s LYS 60 N 2.34 4.14 -0.16 4.97 2.20 -1.26 -4.13 119.74 127.84 2pgg s LYS 60 Ca 0.21 2.58 -0.02 0.00 -0.36 0.00 0.00 55.97 58.38 2pgg s LYS 60 Cb -0.16 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2pgg s LYS 60 CO 0.10 -0.80 -0.09 0.08 -0.36 0.00 0.00 175.35 174.27 2pgg s VAL 61 N 2.22 3.29 0.61 4.02 1.01 -1.26 -2.01 120.40 128.28 2pgg s VAL 61 Ca 0.78 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2pgg s VAL 61 Cb -0.47 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 2pgg s VAL 61 CO 0.35 0.50 0.95 -0.76 0.00 0.00 0.00 175.10 176.13 2pgg s LEU 62 N 0.60 3.21 -0.02 3.92 1.43 -0.41 -4.96 118.68 122.45 2pgg s LEU 62 Ca -0.06 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2pgg s LEU 62 Cb -0.15 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 2pgg s LEU 62 CO 0.03 -1.05 1.32 -1.10 0.23 0.00 0.00 176.35 175.78 2pgg s GLN 63 N -5.07 4.31 0.44 1.70 -0.21 -1.26 -4.73 119.66 114.84 2pgg s GLN 63 Ca 0.54 1.84 -0.26 0.00 0.02 0.00 0.00 55.36 57.50 2pgg s GLN 63 Cb -0.11 -3.56 -0.09 0.00 1.00 0.00 0.00 33.01 30.25 2pgg s GLN 63 CO 0.48 -0.52 1.43 -0.35 -2.12 0.00 0.00 175.29 174.21 2pgg n PRO 64 N 5.28 2.30 -4.25 2.91 -0.04 -1.26 -4.96 135.00 134.98 2pgg n PRO 64 Ca 0.12 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.14 2pgg n PRO 64 Cb 0.45 -2.62 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 2pgg n PRO 64 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2pgg s ARG 65 N -2.36 2.25 0.30 0.54 3.00 -1.26 -5.03 118.95 116.38 2pgg s ARG 65 Ca 0.60 -1.22 0.11 0.00 0.00 0.00 0.00 55.73 55.22 2pgg s ARG 65 Cb -0.46 -2.25 -0.05 0.00 0.00 0.00 0.00 34.95 32.19 2pgg s ARG 65 CO 0.59 0.43 -0.15 -1.54 0.00 0.00 0.00 175.30 174.63 2pgg s SER 66 N -3.02 3.75 0.07 0.23 1.04 -1.26 -4.61 113.70 109.90 2pgg s SER 66 Ca 0.27 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2pgg s SER 66 Cb -0.09 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 2pgg s SER 66 CO 0.17 -0.03 -0.05 -1.48 0.98 0.00 0.00 173.24 172.83 2pgg s LEU 67 N -3.56 2.47 0.46 2.42 0.05 -0.81 -4.87 118.68 114.84 2pgg s LEU 67 Ca 0.31 -0.94 -0.25 0.00 0.05 0.00 0.00 54.13 53.30 2pgg s LEU 67 Cb -0.03 0.03 -0.08 0.00 -2.05 0.00 0.00 46.19 44.05 2pgg s LEU 67 CO 0.16 -0.49 1.34 -2.65 -0.55 0.00 0.00 176.35 174.16 2pgg n PRO 68 N 0.21 1.98 -1.16 1.48 -0.02 -1.26 -1.73 135.00 134.50 2pgg n PRO 68 Ca -0.14 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 2pgg n PRO 68 Cb 0.60 -2.50 0.11 0.00 -0.02 0.00 0.00 33.50 31.69 2pgg n PRO 68 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2pgg s GLU 69 N -2.42 2.02 -0.07 -0.52 2.02 -0.61 -4.48 118.70 114.63 2pgg s GLU 69 Ca 0.63 1.25 -0.25 0.00 0.02 0.00 0.00 54.97 56.62 2pgg s GLU 69 Cb -0.47 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2pgg s GLU 69 CO 0.56 -1.83 0.77 -0.80 0.02 0.00 0.00 175.26 173.97 2pgg s ASN 70 N -3.24 7.04 0.05 -0.19 0.01 -1.26 -1.53 114.94 115.83 2pgg s ASN 70 Ca 0.62 1.26 0.07 0.00 -0.71 0.00 0.00 52.86 54.10 2pgg s ASN 70 Cb -0.18 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 2pgg s ASN 70 CO 0.56 -0.19 -0.17 -1.61 -1.51 0.00 0.00 177.10 174.19 2pgg s GLU 71 N 1.06 2.08 0.40 -0.60 0.41 -0.33 -4.80 118.70 116.91 2pgg s GLU 71 Ca 0.40 -0.99 -0.26 0.00 -0.41 0.00 0.00 54.97 53.71 2pgg s GLU 71 Cb -0.18 -2.21 -0.09 0.00 -1.78 0.00 0.00 34.13 29.87 2pgg s GLU 71 CO 0.19 0.54 1.27 -2.00 -0.49 0.00 0.00 175.26 174.77 2pgg s GLU 72 N -1.55 4.03 -0.06 1.61 2.56 -1.26 -1.55 118.70 122.48 2pgg s GLU 72 Ca 0.15 2.10 -0.15 0.00 0.00 0.00 0.00 54.97 57.08 2pgg s GLU 72 Cb -0.11 -2.78 0.03 0.00 2.00 0.00 0.00 34.13 33.27 2pgg s GLU 72 CO 0.06 -0.42 0.34 0.71 -0.56 0.00 0.00 175.26 175.39 2pgg s TYR 73 N -1.27 -0.27 -0.15 5.30 2.02 0.38 -4.93 117.35 118.42 2pgg s TYR 73 Ca 0.56 0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 57.51 2pgg s TYR 73 Cb -0.37 0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 2pgg s TYR 73 CO 0.47 -0.33 1.53 -2.00 -1.57 0.00 0.00 175.55 173.65 2pgg s GLU 74 N -0.80 4.04 0.15 -0.62 2.12 -1.26 0.14 118.70 122.47 2pgg s GLU 74 Ca -0.09 1.83 -0.19 0.00 0.36 0.00 0.00 54.97 56.87 2pgg s GLU 74 Cb -0.04 -3.95 0.05 0.00 0.26 0.00 0.00 34.13 30.46 2pgg s GLU 74 CO 0.03 -0.99 1.66 1.15 -0.54 0.00 0.00 175.26 176.57 2pgg h THR 75 N 5.78 0.54 0.00 -1.70 2.02 -1.73 0.24 112.91 118.05 2pgg h THR 75 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2pgg h THR 75 Cb 1.15 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2pgg h THR 75 CO 0.98 0.00 0.00 0.44 0.37 0.00 0.00 175.52 177.31 2pgg h ASP 76 N -0.10 0.00 0.48 4.18 3.32 -1.81 0.30 116.42 122.79 2pgg h ASP 76 Ca 0.16 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.91 2pgg h ASP 76 Cb 0.34 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.91 2pgg h ASP 76 CO -0.37 0.00 -1.33 1.56 -1.72 0.00 0.00 179.24 177.37 2pgg h GLN 77 N 0.00 0.38 0.12 3.56 1.08 -1.35 -2.64 115.11 116.27 2pgg h GLN 77 Ca 0.00 -0.65 -0.32 0.00 -1.45 0.00 0.00 58.65 56.23 2pgg h GLN 77 Cb 0.03 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2pgg h GLN 77 CO 0.00 1.31 -1.65 0.82 -0.95 0.00 0.00 178.83 178.36 2pgg h ILE 78 N 0.11 0.87 -2.28 2.54 5.03 -0.79 -3.39 117.51 119.60 2pgg h ILE 78 Ca -0.18 -2.38 -0.62 0.00 -0.12 0.00 0.00 64.86 61.56 2pgg h ILE 78 Cb 2.05 2.62 -0.40 0.00 -3.03 0.00 0.00 36.82 38.05 2pgg h ILE 78 CO 0.23 0.76 -0.46 0.18 -0.68 0.00 0.00 178.15 178.19 2pgg n LEU 79 N -3.77 4.50 0.27 1.44 7.99 0.94 -4.87 117.00 123.50 2pgg n LEU 79 Ca -0.28 -5.56 0.10 0.00 -0.01 0.00 0.00 56.01 50.26 2pgg n LEU 79 Cb 0.96 -0.67 0.73 0.00 -0.11 0.00 0.00 43.42 44.33 2pgg n LEU 79 CO 0.42 2.20 1.09 1.55 -1.51 0.00 0.00 177.39 181.14 2pgg h PRO 80 N 3.59 0.00 0.00 3.23 0.13 -1.64 -1.31 132.00 136.01 2pgg h PRO 80 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2pgg h PRO 80 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2pgg h PRO 80 CO 0.87 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.24 2pgg n ASP 81 N -4.33 0.00 -0.10 1.44 5.75 -1.26 -2.55 116.55 115.50 2pgg n ASP 81 Ca -0.03 -1.04 0.01 0.00 -0.01 0.00 0.00 54.79 53.72 2pgg n ASP 81 Cb 0.09 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.20 2pgg n ASP 81 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2pgg n LEU 82 N -0.83 0.89 0.13 -2.12 4.77 -0.50 -4.80 117.00 114.53 2pgg n LEU 82 Ca 0.12 -1.17 0.18 0.00 -0.03 0.00 0.00 56.01 55.12 2pgg n LEU 82 Cb 0.06 -0.06 0.76 0.00 -2.33 0.00 0.00 43.42 41.85 2pgg n LEU 82 CO 0.09 0.28 1.16 0.00 -1.33 0.00 0.00 177.39 177.60 2pgg h ALA 83 N 0.00 2.07 -0.24 -1.18 0.00 -1.43 -1.51 119.26 116.96 2pgg h ALA 83 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2pgg h ALA 83 Cb 0.93 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2pgg h ALA 83 CO 0.00 -0.47 -0.30 0.11 0.00 0.00 0.00 179.25 178.59 2pgg h TRP 84 N 0.00 0.57 0.00 0.00 0.09 -1.87 -3.18 115.95 111.56 2pgg h TRP 84 Ca 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 58.89 58.99 2pgg h TRP 84 Cb 0.76 -0.13 -0.00 0.00 0.08 0.00 0.00 29.16 29.87 2pgg h TRP 84 CO 0.00 0.75 -0.02 0.52 0.09 0.00 0.00 178.44 179.78 2pgg h MET 85 N 0.43 0.00 0.00 0.12 2.86 -1.66 -2.52 114.93 114.16 2pgg h MET 85 Ca 0.06 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 2pgg h MET 85 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 2pgg h MET 85 CO 0.06 0.02 -1.07 0.00 1.06 0.00 0.00 176.91 176.98 2pgg h ARG 86 N 0.00 0.00 -1.75 1.72 3.08 -1.69 -3.35 114.38 112.39 2pgg h ARG 86 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 2pgg h ARG 86 Cb 0.06 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.00 2pgg h ARG 86 CO 0.00 0.61 0.26 1.04 -1.07 0.00 0.00 179.97 180.81 2pgg n GLN 87 N -3.16 1.79 -3.98 0.04 6.02 -0.95 -4.80 117.38 112.34 2pgg n GLN 87 Ca -0.04 -1.37 -0.10 0.00 -0.01 0.00 0.00 57.00 55.48 2pgg n GLN 87 Cb 0.88 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 2pgg n GLN 87 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2pgg s ILE 88 N -1.56 0.00 0.07 5.09 -4.36 -1.26 -5.08 121.20 114.11 2pgg s ILE 88 Ca 0.34 -1.36 -0.30 0.00 -0.26 0.00 0.00 60.65 59.07 2pgg s ILE 88 Cb 0.23 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 2pgg s ILE 88 CO -0.04 0.00 1.04 -1.61 0.24 0.00 0.00 174.94 174.56 2pgg s GLU 89 N -3.75 4.58 0.00 0.37 2.02 -1.26 -3.59 118.70 117.07 2pgg s GLU 89 Ca 0.22 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.76 2pgg s GLU 89 Cb -0.02 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2pgg s GLU 89 CO 0.10 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2pgg n GLY 90 N 2.64 0.82 3.35 -1.39 0.00 -1.26 -5.01 105.19 104.34 2pgg n GLY 90 Ca 0.05 -0.49 -0.46 0.00 0.00 0.00 0.00 46.02 45.12 2pgg n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgg s ALA 91 N -2.72 3.96 -0.21 4.61 0.00 -1.24 -4.88 121.76 121.28 2pgg s ALA 91 Ca 0.00 -3.23 0.24 0.00 0.00 0.00 0.00 51.96 48.97 2pgg s ALA 91 Cb 0.00 -3.63 1.21 0.00 0.00 0.00 0.00 23.12 20.70 2pgg s ALA 91 CO 0.00 -2.42 1.74 -0.39 0.00 0.00 0.00 175.76 174.69 2pgg h VAL 92 N 4.96 0.00 -3.08 0.00 -1.51 -1.94 -3.42 116.25 111.26 2pgg h VAL 92 Ca 0.12 -0.09 -0.56 0.00 -1.23 0.00 0.00 66.70 64.95 2pgg h VAL 92 Cb 1.03 0.69 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 2pgg h VAL 92 CO 0.82 0.00 0.73 -0.76 -1.23 0.00 0.00 177.57 177.14 2pgg s LEU 93 N -4.67 4.23 0.68 4.19 1.43 -1.26 -4.85 118.68 118.43 2pgg s LEU 93 Ca -0.01 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 2pgg s LEU 93 Cb 0.08 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 2pgg s LEU 93 CO 0.28 -0.61 1.05 -0.54 0.23 0.00 0.00 176.35 176.77 2pgg s LYS 94 N 2.55 3.10 0.00 1.70 -0.14 -1.26 -4.82 119.74 120.87 2pgg s LYS 94 Ca 0.53 0.89 0.15 0.00 -1.36 0.00 0.00 55.97 56.17 2pgg s LYS 94 Cb -0.22 -2.01 0.69 0.00 -1.68 0.00 0.00 37.83 34.60 2pgg s LYS 94 CO 0.18 -0.97 1.43 -0.35 -0.76 0.00 0.00 175.35 174.88 2pgg n PRO 95 N -3.03 0.12 -4.01 -1.68 -0.04 -1.26 -4.70 135.00 120.40 2pgg n PRO 95 Ca 0.07 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 2pgg n PRO 95 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2pgg n PRO 95 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2pgg s THR 96 N -2.76 0.11 0.06 0.52 -4.23 -1.26 -2.28 115.64 105.80 2pgg s THR 96 Ca 0.11 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2pgg s THR 96 Cb 0.10 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 2pgg s THR 96 CO 0.24 -0.48 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.95 2pgg s LEU 97 N -2.97 2.25 -0.34 4.79 1.43 0.12 -4.73 118.68 119.23 2pgg s LEU 97 Ca 0.16 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2pgg s LEU 97 Cb 0.05 -0.45 -0.00 0.00 0.03 0.00 0.00 46.19 45.82 2pgg s LEU 97 CO -0.03 -0.08 0.21 -0.44 0.23 0.00 0.00 176.35 176.24 2pgg s SER 98 N -1.59 5.84 -0.05 2.29 0.01 -1.26 -0.47 113.70 118.47 2pgg s SER 98 Ca -0.03 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.64 2pgg s SER 98 Cb -0.10 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 2pgg s SER 98 CO 0.02 -0.27 -0.10 -0.76 0.41 0.00 0.00 173.24 172.53 2pgg s LEU 99 N 1.65 2.98 -1.27 2.44 1.43 -0.60 -4.81 118.68 120.50 2pgg s LEU 99 Ca 0.05 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2pgg s LEU 99 Cb -0.18 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 2pgg s LEU 99 CO 0.08 0.34 2.57 -0.81 0.23 0.00 0.00 176.35 178.77 2pgg n PRO 100 N 2.14 2.92 -0.83 1.29 -0.04 -1.26 -1.18 135.00 138.03 2pgg n PRO 100 Ca -0.17 -1.83 0.04 0.00 -0.04 0.00 0.00 63.50 61.50 2pgg n PRO 100 Cb 0.53 -2.62 0.07 0.00 -0.04 0.00 0.00 33.50 31.43 2pgg n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2pgg n ILE 101 N 3.85 0.73 -1.56 0.52 -6.64 -1.19 -4.43 119.36 110.64 2pgg n ILE 101 Ca 0.62 -1.38 -0.30 0.00 -1.77 0.00 0.00 62.75 59.93 2pgg n ILE 101 Cb 0.19 0.43 0.10 0.00 -1.44 0.00 0.00 39.64 38.92 2pgg n ILE 101 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2pgg s GLY 102 N -2.11 1.61 0.14 3.28 0.00 -0.58 -4.95 107.32 104.71 2pgg s GLY 102 Ca 0.25 -0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.59 2pgg s GLY 102 CO -0.07 0.18 1.44 -0.55 0.00 0.00 0.00 173.10 174.09 2pgg h ASP 103 N -1.17 0.94 -3.15 1.64 3.32 -1.98 -3.39 116.42 112.62 2pgg h ASP 103 Ca -0.48 -0.49 -0.58 0.00 0.02 0.00 0.00 57.03 55.50 2pgg h ASP 103 Cb 1.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 2pgg h ASP 103 CO 0.60 1.27 -0.25 -1.58 -1.72 0.00 0.00 179.24 177.57 2pgg s GLN 104 N -4.17 3.73 0.47 3.56 0.74 -1.26 -4.98 119.66 117.76 2pgg s GLN 104 Ca -0.10 0.13 0.08 0.00 0.05 0.00 0.00 55.36 55.51 2pgg s GLN 104 Cb 0.11 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.29 2pgg s GLN 104 CO 0.88 0.52 0.47 -1.21 -0.55 0.00 0.00 175.29 175.40 2pgg s GLU 105 N -2.15 2.47 0.14 1.67 2.02 -1.26 -1.57 118.70 120.02 2pgg s GLU 105 Ca 0.36 -1.62 -0.20 0.00 0.02 0.00 0.00 54.97 53.53 2pgg s GLU 105 Cb -0.13 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.75 2pgg s GLU 105 CO 0.20 -0.40 0.52 1.52 0.02 0.00 0.00 175.26 177.12 2pgg s TYR 106 N -2.55 -0.40 -0.22 1.61 -0.85 -0.70 -4.86 117.35 109.37 2pgg s TYR 106 Ca 0.48 0.16 -0.14 0.00 -0.52 0.00 0.00 57.07 57.05 2pgg s TYR 106 Cb -0.04 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 2pgg s TYR 106 CO 0.29 -0.78 0.33 -0.06 -1.52 0.00 0.00 175.55 173.80 2pgg s PHE 107 N -3.72 3.35 0.68 -3.49 0.40 -1.26 -1.92 117.98 112.02 2pgg s PHE 107 Ca 0.01 0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 2pgg s PHE 107 Cb 0.00 -2.45 0.01 0.00 0.51 0.00 0.00 43.02 41.09 2pgg s PHE 107 CO -0.12 0.01 1.08 -1.25 0.70 0.00 0.00 175.22 175.64 2pgg s PRO 108 N 1.26 2.81 0.00 0.24 0.04 -1.26 -5.06 135.00 133.04 2pgg s PRO 108 Ca 0.16 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 2pgg s PRO 108 Cb -0.14 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2pgg s PRO 108 CO 0.07 -1.22 0.00 -1.59 0.04 0.00 0.00 177.00 174.31 2pgg s LYS 109 N -4.46 0.14 -0.17 4.56 -2.85 -1.26 -4.68 119.74 111.02 2pgg s LYS 109 Ca 0.63 -0.23 -0.03 0.00 -1.00 0.00 0.00 55.97 55.34 2pgg s LYS 109 Cb -0.17 0.05 0.05 0.00 -2.06 0.00 0.00 37.83 35.70 2pgg s LYS 109 CO 0.46 -0.02 0.04 -0.47 0.10 0.00 0.00 175.35 175.46 2pgg s TYR 110 N -0.59 0.75 -0.48 1.78 5.04 0.29 -4.96 117.35 119.18 2pgg s TYR 110 Ca -0.07 -0.60 0.01 0.00 -2.44 0.00 0.00 57.07 53.98 2pgg s TYR 110 Cb -0.04 -0.90 0.13 0.00 0.35 0.00 0.00 41.96 41.49 2pgg s TYR 110 CO -0.00 -0.53 0.23 0.71 -1.34 0.00 0.00 175.55 174.62 2pgg s TYR 111 N 1.95 3.45 0.39 4.97 1.51 -1.26 0.64 117.35 129.00 2pgg s TYR 111 Ca 0.01 -2.91 -0.26 0.00 -1.01 0.00 0.00 57.07 52.89 2pgg s TYR 111 Cb -0.16 -3.00 -0.09 0.00 -0.11 0.00 0.00 41.96 38.61 2pgg s TYR 111 CO -0.08 -0.86 1.28 -2.14 -1.11 0.00 0.00 175.55 172.65 2pgg s PRO 112 N 0.30 4.05 -0.26 -1.71 0.02 -1.26 -5.00 135.00 131.14 2pgg s PRO 112 Ca 0.14 2.11 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 2pgg s PRO 112 Cb -0.22 -2.80 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 2pgg s PRO 112 CO -0.04 -0.41 0.42 0.99 -0.33 0.00 0.00 177.00 177.64 2pgg s THR 113 N -1.26 5.14 -0.15 0.99 2.01 -1.26 -5.06 115.64 116.05 2pgg s THR 113 Ca 0.55 0.69 -0.17 0.00 0.31 0.00 0.00 61.69 63.07 2pgg s THR 113 Cb -0.37 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2pgg s THR 113 CO 0.48 0.14 0.42 -1.00 -0.69 0.00 0.00 174.62 173.97 2pgg s HIS 114 N 2.11 3.46 -0.00 4.92 3.76 -1.26 -4.95 115.29 123.33 2pgg s HIS 114 Ca 0.17 0.75 0.02 0.00 -0.15 0.00 0.00 55.06 55.86 2pgg s HIS 114 Cb -0.16 -2.51 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 2pgg s HIS 114 CO 0.10 0.12 -0.07 1.03 -0.85 0.00 0.00 174.74 175.06 2pgg s ARG 115 N 0.82 0.59 0.82 1.40 0.52 -1.26 -4.28 118.95 117.56 2pgg s ARG 115 Ca 0.22 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.01 2pgg s ARG 115 Cb -0.15 -0.57 0.19 0.00 0.52 0.00 0.00 34.95 34.94 2pgg s ARG 115 CO 0.08 0.15 1.09 -0.35 0.02 0.00 0.00 175.30 176.30 2pgg n PRO 116 N 2.85 -1.14 -3.98 3.54 -0.04 -1.26 -0.10 135.00 134.87 2pgg n PRO 116 Ca -0.13 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.54 2pgg n PRO 116 Cb 0.57 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 2pgg n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2pgg s SER 117 N -4.97 -0.03 0.46 3.54 1.04 -0.95 -4.86 113.70 107.92 2pgg s SER 117 Ca 0.62 -0.90 0.25 0.00 0.48 0.00 0.00 55.95 56.40 2pgg s SER 117 Cb -0.02 0.50 1.27 0.00 0.10 0.00 0.00 66.02 67.88 2pgg s SER 117 CO 0.44 -1.00 1.81 0.50 0.98 0.00 0.00 173.24 175.96 2pgg h LYS 118 N 2.40 0.23 0.19 4.02 3.64 -1.76 -0.69 116.57 124.59 2pgg h LYS 118 Ca -0.30 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.73 2pgg h LYS 118 Cb 1.24 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2pgg h LYS 118 CO 0.43 0.15 -1.64 0.93 -2.27 0.00 0.00 179.45 177.05 2pgg h GLU 119 N 0.24 0.40 -2.41 1.90 4.39 -1.96 -3.41 114.58 113.72 2pgg h GLU 119 Ca 0.55 -0.68 -0.59 0.00 0.34 0.00 0.00 59.36 58.97 2pgg h GLU 119 Cb 1.69 0.25 -0.40 0.00 -0.10 0.00 0.00 28.75 30.19 2pgg h GLU 119 CO -0.17 1.30 -0.80 1.63 -1.16 0.00 0.00 179.01 179.82 2pgg n LYS 120 N -3.59 1.36 -0.02 2.33 5.02 -0.63 -4.95 118.16 117.68 2pgg n LYS 120 Ca -0.21 -3.92 0.07 0.00 -2.02 0.00 0.00 58.31 52.23 2pgg n LYS 120 Cb 1.08 -1.87 0.38 0.00 -0.02 0.00 0.00 35.03 34.59 2pgg n LYS 120 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2pgg n PRO 121 N 1.74 1.13 -0.77 1.97 -0.04 -0.36 -2.24 135.00 136.43 2pgg n PRO 121 Ca 0.25 -0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 2pgg n PRO 121 Cb 0.44 -1.23 0.38 0.00 -0.04 0.00 0.00 33.50 33.04 2pgg n PRO 121 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pgg n ASN 122 N -0.52 5.28 0.48 3.54 3.02 -1.26 -4.68 115.26 121.12 2pgg n ASN 122 Ca 0.11 -2.82 -0.20 0.00 -0.03 0.00 0.00 54.58 51.64 2pgg n ASN 122 Cb 0.09 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 2pgg n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pgg h ALA 123 N 3.74 -1.32 -2.98 5.41 0.00 -1.97 -3.39 119.26 118.75 2pgg h ALA 123 Ca 0.00 -0.27 -0.62 0.00 0.00 0.00 0.00 54.91 54.02 2pgg h ALA 123 Cb 1.79 0.55 -0.41 0.00 0.00 0.00 0.00 17.79 19.71 2pgg h ALA 123 CO 0.40 -1.25 -0.69 0.71 0.00 0.00 0.00 179.25 178.43 2pgg s TYR 124 N -5.85 2.76 0.58 0.00 1.51 -1.26 -5.05 117.35 110.03 2pgg s TYR 124 Ca -0.19 -2.96 -0.20 0.00 -1.01 0.00 0.00 57.07 52.72 2pgg s TYR 124 Cb 0.02 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 2pgg s TYR 124 CO 0.58 -0.67 1.25 -2.14 -1.11 0.00 0.00 175.55 173.46 2pgg s PRO 125 N -0.66 3.03 0.73 -1.71 0.02 -1.26 -4.59 135.00 130.56 2pgg s PRO 125 Ca 0.24 1.96 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 2pgg s PRO 125 Cb -0.10 -2.04 0.04 0.00 0.02 0.00 0.00 34.50 32.41 2pgg s PRO 125 CO -0.11 -1.19 1.12 -2.14 -0.33 0.00 0.00 177.00 174.34 2pgg s PRO 126 N -3.17 2.40 -1.29 5.54 0.02 -1.26 -4.50 135.00 132.74 2pgg s PRO 126 Ca 0.75 1.36 -0.15 0.00 0.02 0.00 0.00 61.00 62.98 2pgg s PRO 126 Cb -0.34 -1.90 0.11 0.00 0.02 0.00 0.00 34.50 32.39 2pgg s PRO 126 CO 0.38 -1.56 1.70 -3.47 -0.33 0.00 0.00 177.00 173.72 2pgg n ASP 127 N -2.99 4.93 0.16 2.53 -0.08 0.18 -4.72 116.55 116.56 2pgg n ASP 127 Ca 0.10 -2.95 0.03 0.00 -1.51 0.00 0.00 54.79 50.46 2pgg n ASP 127 Cb 0.52 -1.65 0.39 0.00 2.34 0.00 0.00 41.12 42.71 2pgg n ASP 127 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2pgg h ILE 128 N 4.92 1.21 -0.82 5.18 1.08 -1.90 -2.66 117.51 124.53 2pgg h ILE 128 Ca 0.41 -1.00 -0.04 0.00 -0.39 0.00 0.00 64.86 63.84 2pgg h ILE 128 Cb 0.82 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 2pgg h ILE 128 CO 1.45 0.29 0.35 0.00 -0.69 0.00 0.00 178.15 179.55 2pgg h ALA 129 N 1.65 1.06 -0.34 1.87 0.00 -2.00 -1.17 119.26 120.32 2pgg h ALA 129 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2pgg h ALA 129 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pgg h ALA 129 CO 0.04 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.29 2pgg h LEU 130 N 1.18 0.51 -0.30 0.00 5.85 -1.88 -2.14 115.31 118.54 2pgg h LEU 130 Ca 0.27 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2pgg h LEU 130 Cb 0.18 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2pgg h LEU 130 CO -0.03 0.61 0.09 0.25 -0.34 0.00 0.00 178.44 179.02 2pgg h LEU 131 N 0.40 0.08 -0.61 2.25 5.85 -1.25 -1.00 115.31 121.03 2pgg h LEU 131 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2pgg h LEU 131 Cb 0.29 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2pgg h LEU 131 CO 0.00 0.08 0.40 0.11 -0.34 0.00 0.00 178.44 178.69 2pgg h LYS 132 N 0.21 0.80 -0.73 1.25 1.57 -1.14 -1.28 116.57 117.26 2pgg h LYS 132 Ca 0.14 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2pgg h LYS 132 Cb 0.12 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2pgg h LYS 132 CO -0.15 0.54 0.48 0.37 -0.57 0.00 0.00 179.45 180.11 2pgg h GLN 133 N 0.82 0.96 -0.41 3.15 5.75 -0.99 -0.05 115.11 124.33 2pgg h GLN 133 Ca 0.22 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 2pgg h GLN 133 Cb -0.09 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.24 2pgg h GLN 133 CO -0.05 0.64 -0.08 0.52 -2.65 0.00 0.00 178.83 177.22 2pgg h MET 134 N 0.99 0.78 -0.79 1.69 2.86 -0.80 -0.23 114.93 119.43 2pgg h MET 134 Ca 0.27 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2pgg h MET 134 Cb -0.10 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2pgg h MET 134 CO -0.06 0.90 0.37 0.82 1.06 0.00 0.00 176.91 180.00 2pgg h ILE 135 N 0.60 1.25 -0.48 -1.22 2.04 -0.95 -0.36 117.51 118.39 2pgg h ILE 135 Ca 0.11 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2pgg h ILE 135 Cb 0.60 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2pgg h ILE 135 CO 0.04 0.30 0.19 0.22 0.00 0.00 0.00 178.15 178.90 2pgg h TYR 136 N 1.12 0.73 -0.62 1.37 3.20 -0.68 -0.91 116.97 121.18 2pgg h TYR 136 Ca 0.27 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 2pgg h TYR 136 Cb 0.13 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2pgg h TYR 136 CO 0.01 0.61 0.14 -0.07 -1.64 0.00 0.00 178.16 177.21 2pgg h LEU 137 N 0.63 0.95 -0.39 2.82 3.38 -0.57 -1.50 115.31 120.63 2pgg h LEU 137 Ca 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2pgg h LEU 137 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2pgg h LEU 137 CO -0.01 0.95 0.20 0.15 0.09 0.00 0.00 178.44 179.81 2pgg h PHE 138 N 0.91 0.55 0.00 1.13 3.57 -0.85 -2.08 116.94 120.18 2pgg h PHE 138 Ca 0.19 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2pgg h PHE 138 Cb 0.38 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2pgg h PHE 138 CO 0.03 0.45 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.36 2pgg h LEU 139 N 0.50 0.00 -0.50 0.59 3.38 -0.99 -2.17 115.31 116.12 2pgg h LEU 139 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2pgg h LEU 139 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pgg h LEU 139 CO -0.02 0.13 -0.72 -0.61 0.09 0.00 0.00 178.44 177.31 2pgg h GLN 140 N 0.00 0.00 -6.23 1.13 5.75 -0.61 -3.43 115.11 111.72 2pgg h GLN 140 Ca -0.00 0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.92 2pgg h GLN 140 Cb 0.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2pgg h GLN 140 CO 0.02 0.72 1.30 0.08 -2.65 0.00 0.00 178.83 178.31 2pgg s VAL 141 N -3.29 3.41 0.60 2.39 1.01 -0.82 -4.94 120.40 118.75 2pgg s VAL 141 Ca -0.00 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2pgg s VAL 141 Cb 0.12 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2pgg s VAL 141 CO 0.78 -0.34 1.23 -0.81 0.00 0.00 0.00 175.10 175.96 2pgg n PRO 142 N 8.45 1.24 0.00 2.72 -0.04 -1.26 -4.34 135.00 141.77 2pgg n PRO 142 Ca 0.24 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 2pgg n PRO 142 Cb 0.46 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2pgg n PRO 142 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2pgg n GLU 143 N -1.37 0.00 -3.64 0.54 4.07 -1.26 -4.90 120.64 114.09 2pgg n GLU 143 Ca 0.14 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.21 2pgg n GLU 143 Cb 0.47 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.82 2pgg n GLU 143 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2pgg s ALA 144 N -1.64 -2.16 -0.28 4.31 0.00 -1.26 -5.13 121.76 115.60 2pgg s ALA 144 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2pgg s ALA 144 Cb 0.00 -0.67 0.17 0.00 0.00 0.00 0.00 23.12 22.63 2pgg s ALA 144 CO 0.00 -0.47 0.52 1.21 0.00 0.00 0.00 175.76 177.02 2pgg s ASN 145 N -1.76 -0.82 0.58 0.00 3.04 -1.26 -5.02 114.94 109.70 2pgg s ASN 145 Ca 0.10 0.44 0.31 0.00 0.04 0.00 0.00 52.86 53.75 2pgg s ASN 145 Cb -0.01 1.76 1.78 0.00 -1.54 0.00 0.00 41.25 43.23 2pgg s ASN 145 CO -0.04 -0.29 2.21 -0.08 -3.04 0.00 0.00 177.10 175.86 2pgg h GLU 146 N 8.06 0.00 0.00 0.43 4.57 -2.01 -1.70 114.58 123.94 2pgg h GLU 146 Ca -0.16 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.90 2pgg h GLU 146 Cb 1.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2pgg h GLU 146 CO 0.24 0.04 -0.55 0.78 -1.18 0.00 0.00 179.01 178.33 2pgg h GLY 147 N 0.28 0.00 1.17 1.92 0.00 -2.00 -2.17 103.07 102.26 2pgg h GLY 147 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2pgg h GLY 147 CO 0.00 0.00 -1.56 1.41 0.00 0.00 0.00 176.54 176.39 2pgg h LEU 148 N 0.00 0.76 -1.45 3.11 3.38 -1.73 -3.28 115.31 116.10 2pgg h LEU 148 Ca -0.01 -0.90 0.05 0.00 0.09 0.00 0.00 57.88 57.11 2pgg h LEU 148 Cb 1.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2pgg h LEU 148 CO 0.07 1.72 0.42 0.50 0.09 0.00 0.00 178.44 181.24 2pgg h LYS 149 N 0.13 0.68 -0.38 1.13 3.64 -1.29 -1.75 116.57 118.73 2pgg h LYS 149 Ca -0.28 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2pgg h LYS 149 Cb 2.15 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.80 2pgg h LYS 149 CO 0.24 0.45 0.29 -0.44 -2.27 0.00 0.00 179.45 177.73 2pgg h ASP 150 N 0.70 0.00 -0.23 4.20 3.32 -1.45 -0.13 116.42 122.83 2pgg h ASP 150 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2pgg h ASP 150 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2pgg h ASP 150 CO -0.08 0.00 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.08 2pgg h GLU 151 N 0.00 0.42 -0.14 3.56 5.08 -1.47 0.28 114.58 122.31 2pgg h GLU 151 Ca 0.18 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 2pgg h GLU 151 Cb 0.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2pgg h GLU 151 CO -0.00 0.64 -0.48 -0.24 -1.00 0.00 0.00 179.01 177.93 2pgg h VAL 152 N 0.17 1.33 -0.49 3.13 3.04 -1.31 -0.82 116.25 121.30 2pgg h VAL 152 Ca 0.06 -1.69 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 2pgg h VAL 152 Cb 0.47 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2pgg h VAL 152 CO 0.02 0.51 0.21 0.74 -1.01 0.00 0.00 177.57 178.04 2pgg h THR 153 N 0.29 1.20 -0.30 3.17 2.02 -0.92 0.17 112.91 118.54 2pgg h THR 153 Ca 0.02 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 2pgg h THR 153 Cb 0.95 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2pgg h THR 153 CO 0.08 0.23 -0.19 0.25 0.37 0.00 0.00 175.52 176.26 2pgg h LEU 154 N 0.65 0.68 -0.73 2.58 5.85 -0.79 -0.44 115.31 123.11 2pgg h LEU 154 Ca 0.17 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2pgg h LEU 154 Cb 0.16 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2pgg h LEU 154 CO -0.02 0.96 0.36 0.25 -0.34 0.00 0.00 178.44 179.66 2pgg h LEU 155 N 0.40 0.94 0.28 2.25 5.85 -1.03 -1.75 115.31 122.26 2pgg h LEU 155 Ca 0.06 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2pgg h LEU 155 Cb 0.73 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2pgg h LEU 155 CO 0.05 0.80 -0.13 0.74 -0.34 0.00 0.00 178.44 179.56 2pgg h THR 156 N 1.02 0.73 -1.01 1.05 2.02 -0.83 -1.01 112.91 114.88 2pgg h THR 156 Ca 0.25 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.53 2pgg h THR 156 Cb 0.10 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 67.17 2pgg h THR 156 CO -0.03 0.01 0.63 1.56 0.37 0.00 0.00 175.52 178.06 2pgg h GLN 157 N -0.39 0.96 -0.31 6.66 1.08 -0.86 -1.75 115.11 120.50 2pgg h GLN 157 Ca -0.04 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 2pgg h GLN 157 Cb 0.30 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2pgg h GLN 157 CO 0.06 0.63 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.53 2pgg h ASN 158 N 0.98 0.65 -0.43 1.46 2.35 -1.01 -1.20 115.58 118.39 2pgg h ASN 158 Ca 0.50 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2pgg h ASN 158 Cb 0.52 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 2pgg h ASN 158 CO -0.27 0.90 0.29 0.40 -1.65 0.00 0.00 177.43 177.10 2pgg h ILE 159 N 0.39 1.09 0.00 2.81 2.04 -0.38 -0.47 117.51 122.99 2pgg h ILE 159 Ca 0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2pgg h ILE 159 Cb 0.65 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2pgg h ILE 159 CO 0.04 0.10 -1.50 -2.11 0.00 0.00 0.00 178.15 174.68 2pgg n ARG 160 N -4.47 0.63 0.05 2.37 1.85 -0.74 -4.26 116.66 112.08 2pgg n ARG 160 Ca 0.04 0.05 -0.13 0.00 -1.00 0.00 0.00 57.85 56.81 2pgg n ARG 160 Cb 0.08 -1.71 -0.14 0.00 -1.05 0.00 0.00 32.46 29.64 2pgg n ARG 160 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2pgg h ASP 161 N 0.00 0.23 -1.42 2.89 3.32 -1.05 -3.46 116.42 116.93 2pgg h ASP 161 Ca -0.09 -0.33 -0.48 0.00 0.02 0.00 0.00 57.03 56.15 2pgg h ASP 161 Cb 1.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2pgg h ASP 161 CO 0.02 1.27 -0.33 -0.54 -1.72 0.00 0.00 179.24 177.94 2pgg s LYS 162 N -2.63 2.59 -0.25 3.56 -0.14 -0.20 -0.10 119.74 122.57 2pgg s LYS 162 Ca -0.06 -1.48 -0.15 0.00 -1.36 0.00 0.00 55.97 52.92 2pgg s LYS 162 Cb 0.08 -2.49 0.07 0.00 -1.68 0.00 0.00 37.83 33.81 2pgg s LYS 162 CO 0.84 -0.26 0.62 0.00 -0.76 0.00 0.00 175.35 175.79 2pgg s ALA 163 N -2.46 -1.66 -0.10 5.17 0.00 -0.47 -4.70 121.76 117.53 2pgg s ALA 163 Ca 0.50 2.15 -0.17 0.00 0.00 0.00 0.00 51.96 54.44 2pgg s ALA 163 Cb -0.05 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2pgg s ALA 163 CO 0.30 -0.34 0.44 -0.47 0.00 0.00 0.00 175.76 175.68 2pgg s TYR 164 N 1.42 3.54 -2.80 0.00 5.04 -1.26 -1.26 117.35 122.03 2pgg s TYR 164 Ca -0.09 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 2pgg s TYR 164 Cb -0.06 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.77 2pgg s TYR 164 CO -0.16 0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.71 2pgg n GLY 165 N 3.05 -1.58 1.86 8.97 0.00 -0.46 -4.40 105.19 112.64 2pgg n GLY 165 Ca -0.09 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.85 2pgg n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pgg n SER 166 N 1.68 5.06 0.00 1.61 3.41 0.86 -1.19 113.62 125.06 2pgg n SER 166 Ca 0.00 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 2pgg n SER 166 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2pgg n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pgg n GLY 167 N 0.26 3.11 3.50 5.00 0.00 -1.26 -4.72 105.19 111.08 2pgg n GLY 167 Ca 0.32 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2pgg n GLY 167 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pgg s THR 168 N 0.00 0.00 0.15 2.61 -4.23 -1.25 -4.57 115.64 108.35 2pgg s THR 168 Ca 0.00 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 2pgg s THR 168 Cb 0.00 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.54 2pgg s THR 168 CO 0.00 0.00 1.62 1.88 -0.54 0.00 0.00 174.62 177.58 2pgg h TYR 169 N 2.31 0.94 -0.81 3.99 -1.99 -1.91 0.12 116.97 119.63 2pgg h TYR 169 Ca -0.28 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.32 2pgg h TYR 169 Cb 1.25 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 39.68 2pgg h TYR 169 CO 0.53 0.87 0.53 1.98 -0.00 0.00 0.00 178.16 182.07 2pgg h MET 170 N 0.74 0.99 -0.20 4.88 4.05 -1.83 0.12 114.93 123.68 2pgg h MET 170 Ca 0.15 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 2pgg h MET 170 Cb 0.47 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2pgg h MET 170 CO 0.02 0.66 -0.19 0.78 0.23 0.00 0.00 176.91 178.40 2pgg h GLY 171 N 1.02 0.54 0.98 1.39 0.00 -1.08 -0.63 103.07 105.29 2pgg h GLY 171 Ca 0.31 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2pgg h GLY 171 CO -0.09 0.49 0.26 1.46 0.00 0.00 0.00 176.54 178.66 2pgg h GLN 172 N 0.17 0.75 -0.37 4.80 4.20 -0.55 -1.07 115.11 123.04 2pgg h GLN 172 Ca 0.03 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 2pgg h GLN 172 Cb 0.73 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2pgg h GLN 172 CO 0.05 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.76 2pgg h ALA 173 N 1.09 0.50 -0.66 3.87 0.00 -0.75 -0.32 119.26 123.00 2pgg h ALA 173 Ca 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2pgg h ALA 173 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2pgg h ALA 173 CO -0.02 0.33 0.23 1.15 0.00 0.00 0.00 179.25 180.94 2pgg h THR 174 N 0.49 1.24 -0.21 0.00 2.02 -1.04 -1.86 112.91 113.56 2pgg h THR 174 Ca 0.10 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2pgg h THR 174 Cb 0.56 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2pgg h THR 174 CO 0.03 0.31 0.12 -0.09 0.37 0.00 0.00 175.52 176.26 2pgg h ARG 175 N 0.96 0.28 -0.71 6.66 9.65 -0.91 -2.74 114.38 127.57 2pgg h ARG 175 Ca 0.22 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.16 2pgg h ARG 175 Cb 0.23 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.69 2pgg h ARG 175 CO -0.01 0.23 0.37 -0.07 2.80 0.00 0.00 179.97 183.29 2pgg h LEU 176 N 0.25 0.49 -0.92 3.80 3.38 -0.28 0.11 115.31 122.13 2pgg h LEU 176 Ca 0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pgg h LEU 176 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pgg h LEU 176 CO -0.01 0.29 0.00 -0.37 0.09 0.00 0.00 178.44 178.43 2pgg h VAL 177 N 0.63 0.00 -0.05 1.22 -1.51 -1.24 -1.11 116.25 114.18 2pgg h VAL 177 Ca 0.35 -0.38 -0.11 0.00 -1.23 0.00 0.00 66.70 65.33 2pgg h VAL 177 Cb 0.34 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2pgg h VAL 177 CO -0.25 0.00 -0.40 0.00 -1.23 0.00 0.00 177.57 175.69 2pgg h ALA 178 N 2.17 0.12 -0.34 5.19 0.00 -0.54 -1.82 119.26 124.05 2pgg h ALA 178 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2pgg h ALA 178 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2pgg h ALA 178 CO 0.00 0.24 0.18 0.52 0.00 0.00 0.00 179.25 180.19 2pgg h MET 179 N -0.14 0.36 -0.69 0.00 2.07 -0.54 0.30 114.93 116.28 2pgg h MET 179 Ca -0.04 -0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 2pgg h MET 179 Cb 1.08 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 30.69 2pgg h MET 179 CO 0.08 0.24 0.46 -0.22 1.07 0.00 0.00 176.91 178.54 2pgg h LYS 180 N 0.37 0.82 -0.63 1.72 3.64 -1.24 0.20 116.57 121.45 2pgg h LYS 180 Ca 0.14 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2pgg h LYS 180 Cb 0.04 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2pgg h LYS 180 CO -0.09 0.54 0.06 1.49 -2.27 0.00 0.00 179.45 179.18 2pgg h GLU 181 N 0.84 1.07 -0.31 1.90 4.57 -0.32 1.10 114.58 123.44 2pgg h GLU 181 Ca 0.28 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2pgg h GLU 181 Cb 0.05 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2pgg h GLU 181 CO -0.08 1.01 -0.06 0.28 -1.18 0.00 0.00 179.01 178.98 2pgg h VAL 182 N 0.99 1.28 0.00 0.32 2.07 0.38 -3.07 116.25 118.22 2pgg h VAL 182 Ca 0.19 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2pgg h VAL 182 Cb 0.49 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2pgg h VAL 182 CO 0.02 0.35 -0.12 0.00 0.02 0.00 0.00 177.57 177.84 2pgg h ALA 183 N 0.80 0.96 -2.48 1.67 0.00 -0.78 -3.41 119.26 116.02 2pgg h ALA 183 Ca 0.08 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2pgg h ALA 183 Cb 0.54 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 2pgg h ALA 183 CO 0.03 0.14 -0.71 0.99 0.00 0.00 0.00 179.25 179.70 2pgg s THR 184 N -3.39 0.66 0.00 0.00 2.01 0.38 -2.10 115.64 113.20 2pgg s THR 184 Ca 0.04 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.32 2pgg s THR 184 Cb 0.07 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.18 2pgg s THR 184 CO 0.64 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2pgg n GLY 185 N 0.35 1.55 0.42 4.40 0.00 -1.26 -4.20 105.19 106.45 2pgg n GLY 185 Ca -0.15 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2pgg n GLY 185 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pgg h ARG 186 N 0.00 -0.07 -2.34 1.61 2.43 -1.91 -3.31 114.38 110.79 2pgg h ARG 186 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.59 2pgg h ARG 186 Cb 0.00 0.01 -0.38 0.00 -0.42 0.00 0.00 29.97 29.18 2pgg h ARG 186 CO 0.00 -0.04 -0.98 -1.71 -1.51 0.00 0.00 179.97 175.72 2pgg n ASN 187 N -5.29 -0.32 -4.62 -3.80 5.15 -1.26 -5.11 115.26 100.02 2pgg n ASN 187 Ca 0.02 -2.43 -0.46 0.00 -0.60 0.00 0.00 54.58 51.11 2pgg n ASN 187 Cb 0.29 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.94 2pgg n ASN 187 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2pgg n PRO 188 N 2.65 1.53 -1.57 1.20 -0.02 -1.25 -4.67 135.00 132.86 2pgg n PRO 188 Ca 0.29 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 2pgg n PRO 188 Cb 0.48 -2.04 0.07 0.00 -0.02 0.00 0.00 33.50 32.00 2pgg n PRO 188 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pgg n ASN 189 N 1.65 1.14 -4.13 2.55 5.03 -0.89 -4.44 115.26 116.16 2pgg n ASN 189 Ca 0.11 0.76 -0.21 0.00 0.87 0.00 0.00 54.58 56.12 2pgg n ASN 189 Cb 0.30 -1.46 -0.14 0.00 -1.02 0.00 0.00 39.78 37.46 2pgg n ASN 189 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2pgg s LYS 190 N -3.19 1.03 -0.18 3.52 1.02 -1.25 -4.95 119.74 115.75 2pgg s LYS 190 Ca 0.78 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 2pgg s LYS 190 Cb -0.38 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.88 2pgg s LYS 190 CO 0.45 0.27 1.44 0.34 -0.92 0.00 0.00 175.35 176.93 2pgg s ASP 191 N -0.80 6.69 0.40 2.83 -1.08 -1.26 -4.87 116.67 118.58 2pgg s ASP 191 Ca 0.03 1.70 0.06 0.00 -0.52 0.00 0.00 52.55 53.82 2pgg s ASP 191 Cb -0.07 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.66 2pgg s ASP 191 CO 0.01 -0.98 2.04 1.55 0.52 0.00 0.00 175.17 178.31 2pgg h PRO 192 N 9.32 0.59 0.00 4.34 0.13 -1.92 -1.98 132.00 142.47 2pgg h PRO 192 Ca -0.31 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2pgg h PRO 192 Cb 1.13 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2pgg h PRO 192 CO 0.99 0.40 -0.05 -0.07 -0.23 0.00 0.00 178.00 179.04 2pgg h LEU 193 N 0.60 0.00 -1.86 1.56 3.38 -1.90 -0.55 115.31 116.53 2pgg h LEU 193 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2pgg h LEU 193 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2pgg h LEU 193 CO -0.03 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.84 2pgg n LYS 194 N -3.60 2.23 0.00 1.13 5.02 -0.75 -3.92 118.16 118.26 2pgg n LYS 194 Ca -0.02 -1.85 0.09 0.00 -2.02 0.00 0.00 58.31 54.52 2pgg n LYS 194 Cb 0.16 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 2pgg n LYS 194 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pgg n LEU 195 N 1.09 1.76 0.00 -0.35 4.77 -0.24 -4.95 117.00 119.08 2pgg n LEU 195 Ca 0.18 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2pgg n LEU 195 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2pgg n LEU 195 CO 0.15 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2pgg n GLY 196 N 1.30 1.55 3.88 -0.72 0.00 -1.20 -5.12 105.19 104.88 2pgg n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2pgg n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pgg s TYR 197 N -1.73 3.59 0.18 1.61 1.51 -1.08 -5.04 117.35 116.38 2pgg s TYR 197 Ca 0.00 1.16 0.03 0.00 -1.01 0.00 0.00 57.07 57.25 2pgg s TYR 197 Cb 0.00 -2.60 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 2pgg s TYR 197 CO 0.00 -0.52 -0.03 0.95 -1.11 0.00 0.00 175.55 174.84 2pgg s THR 198 N -2.97 0.92 0.17 -0.71 -4.23 -1.26 -4.28 115.64 103.27 2pgg s THR 198 Ca 0.53 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 2pgg s THR 198 Cb -0.11 -2.11 0.10 0.00 1.34 0.00 0.00 72.50 71.73 2pgg s THR 198 CO 0.48 -0.51 1.65 -0.26 -0.54 0.00 0.00 174.62 175.45 2pgg h PHE 199 N 2.65 -0.34 -0.10 3.99 0.05 -1.98 -0.85 116.94 120.35 2pgg h PHE 199 Ca -0.37 0.04 -0.11 0.00 3.82 0.00 0.00 57.97 61.35 2pgg h PHE 199 Cb 1.21 0.21 -0.01 0.00 2.00 0.00 0.00 35.95 39.36 2pgg h PHE 199 CO 0.58 -0.22 -0.41 1.49 -0.18 0.00 0.00 178.31 179.56 2pgg h GLU 200 N -0.06 0.23 0.11 1.51 4.57 -1.96 -1.36 114.58 117.62 2pgg h GLU 200 Ca 0.20 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2pgg h GLU 200 Cb 0.36 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2pgg h GLU 200 CO -0.45 0.61 -0.05 1.03 -1.18 0.00 0.00 179.01 178.97 2pgg h SER 201 N 0.19 -0.13 0.13 1.04 0.87 -1.72 -1.42 113.55 112.51 2pgg h SER 201 Ca 0.02 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 2pgg h SER 201 Cb 0.82 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2pgg h SER 201 CO 0.06 -0.04 -0.31 0.40 -0.53 0.00 0.00 176.83 176.42 2pgg h ILE 202 N -0.20 1.27 -0.04 2.23 2.04 -1.07 -2.88 117.51 118.86 2pgg h ILE 202 Ca -0.02 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 2pgg h ILE 202 Cb 0.16 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2pgg h ILE 202 CO 0.03 0.39 -0.39 0.00 0.00 0.00 0.00 178.15 178.17 2pgg h ALA 203 N 1.43 1.28 0.00 1.87 0.00 -0.92 -1.89 119.26 121.03 2pgg h ALA 203 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pgg h ALA 203 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pgg h ALA 203 CO 0.05 0.52 0.00 1.96 0.00 0.00 0.00 179.25 181.78 2pgg h GLN 204 N 0.07 0.00 0.17 0.00 4.20 -1.05 -0.02 115.11 118.48 2pgg h GLN 204 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.41 2pgg h GLN 204 Cb 0.72 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.54 2pgg h GLN 204 CO 0.05 0.00 -1.32 -0.07 -0.67 0.00 0.00 178.83 176.83 2pgg h LEU 205 N 0.00 0.86 -0.95 1.46 3.38 -1.38 -3.22 115.31 115.46 2pgg h LEU 205 Ca 0.00 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 57.09 2pgg h LEU 205 Cb 0.87 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2pgg h LEU 205 CO 0.00 1.65 -0.10 -0.07 0.09 0.00 0.00 178.44 180.01 2pgg h LEU 206 N 0.21 0.00 -2.02 1.67 3.38 -1.16 -1.01 115.31 116.38 2pgg h LEU 206 Ca -0.21 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2pgg h LEU 206 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2pgg h LEU 206 CO 0.25 0.10 0.14 0.44 0.09 0.00 0.00 178.44 179.46 2pgg h ASP 207 N 0.00 0.00 0.00 -0.43 3.32 -1.01 0.37 116.42 118.67 2pgg h ASP 207 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2pgg h ASP 207 Cb 0.74 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2pgg h ASP 207 CO 0.01 0.00 -1.98 -0.38 -1.72 0.00 0.00 179.24 175.18 2pgg n ILE 208 N -4.45 1.52 0.13 0.35 5.41 -1.02 -3.71 119.36 117.60 2pgg n ILE 208 Ca 0.01 -0.22 0.03 0.00 1.00 0.00 0.00 62.75 63.57 2pgg n ILE 208 Cb 0.27 -1.98 0.39 0.00 -0.71 0.00 0.00 39.64 37.61 2pgg n ILE 208 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2pgg h THR 209 N -1.00 1.18 -1.12 1.39 2.02 -1.08 -3.36 112.91 110.94 2pgg h THR 209 Ca -0.52 -0.82 -0.37 0.00 0.77 0.00 0.00 66.41 65.47 2pgg h THR 209 Cb 1.44 1.27 -0.31 0.00 -1.74 0.00 0.00 68.15 68.80 2pgg h THR 209 CO -0.32 0.25 -0.93 -0.11 0.37 0.00 0.00 175.52 174.79 2pgg n LEU 210 N -4.26 -0.12 -4.61 2.58 -0.00 0.13 -4.13 117.00 106.59 2pgg n LEU 210 Ca -0.01 -4.30 -0.49 0.00 -0.00 0.00 0.00 56.01 51.22 2pgg n LEU 210 Cb 0.28 0.65 -0.05 0.00 -0.00 0.00 0.00 43.42 44.31 2pgg n LEU 210 CO 0.38 2.07 0.90 -0.81 -0.00 0.00 0.00 177.39 179.93 2pgg n PRO 211 N 0.15 1.45 -4.33 1.96 -0.04 -1.11 -4.73 135.00 128.35 2pgg n PRO 211 Ca 0.15 0.52 -0.23 0.00 -0.04 0.00 0.00 63.50 63.89 2pgg n PRO 211 Cb 0.72 -2.14 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 2pgg n PRO 211 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pgg s VAL 212 N 0.25 1.84 0.40 0.52 1.01 -1.26 -4.62 120.40 118.53 2pgg s VAL 212 Ca 0.77 -1.80 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2pgg s VAL 212 Cb -0.83 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 2pgg s VAL 212 CO 0.48 -0.20 0.03 -0.83 0.00 0.00 0.00 175.10 174.57 2pgg s GLY 213 N -2.40 2.42 0.72 4.51 0.00 -0.99 -4.05 107.32 107.54 2pgg s GLY 213 Ca 0.13 -2.23 -0.11 0.00 0.00 0.00 0.00 44.72 42.51 2pgg s GLY 213 CO 0.06 -2.05 1.07 2.56 0.00 0.00 0.00 173.10 174.75 2pgg s PRO 214 N -3.74 2.67 0.82 2.90 0.04 -1.26 -4.68 135.00 131.76 2pgg s PRO 214 Ca 0.36 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 2pgg s PRO 214 Cb 0.08 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2pgg s PRO 214 CO 0.19 -1.31 1.09 -2.14 0.04 0.00 0.00 177.00 174.87 2pgg s PRO 215 N -4.93 1.84 0.00 0.56 0.02 -1.26 -4.28 135.00 126.94 2pgg s PRO 215 Ca 0.60 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2pgg s PRO 215 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2pgg s PRO 215 CO 0.54 -1.89 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 2pgg n GLY 216 N -1.20 2.17 3.07 0.52 0.00 -1.26 -4.14 105.19 104.34 2pgg n GLY 216 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2pgg n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pgg n GLU 217 N 0.00 -3.79 -3.84 1.61 4.07 -1.26 -4.91 120.64 112.52 2pgg n GLU 217 Ca 0.00 0.75 -0.09 0.00 -0.06 0.00 0.00 57.16 57.76 2pgg n GLU 217 Cb 0.00 -5.35 0.01 0.00 -0.06 0.00 0.00 31.44 26.04 2pgg n GLU 217 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2pgg s ASP 218 N -3.74 -0.01 0.50 4.31 1.01 -1.26 -5.00 116.67 112.47 2pgg s ASP 218 Ca 0.21 -1.02 0.22 0.00 0.71 0.00 0.00 52.55 52.66 2pgg s ASP 218 Cb -0.03 0.80 1.29 0.00 1.01 0.00 0.00 42.92 46.00 2pgg s ASP 218 CO 0.64 -1.57 2.06 0.44 0.21 0.00 0.00 175.17 176.95 2pgg h ASP 219 N 2.01 0.00 -4.01 0.27 5.19 -2.02 -3.21 116.42 114.66 2pgg h ASP 219 Ca -0.28 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.49 2pgg h ASP 219 Cb 1.25 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.35 2pgg h ASP 219 CO 0.36 0.13 -0.59 -0.54 -3.12 0.00 0.00 179.24 175.48 2pgg s LYS 220 N -4.45 2.17 0.00 3.56 1.02 -1.26 -5.09 119.74 115.68 2pgg s LYS 220 Ca -0.04 -2.83 0.00 0.00 0.02 0.00 0.00 55.97 53.12 2pgg s LYS 220 Cb 0.15 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2pgg s LYS 220 CO 0.63 -1.16 0.00 -0.35 -0.92 0.00 0.00 175.35 173.55 2pgg n PRO 221 N 2.79 2.48 -4.24 -1.68 -0.04 -1.22 -4.85 135.00 128.25 2pgg n PRO 221 Ca 0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 2pgg n PRO 221 Cb 0.33 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.73 2pgg n PRO 221 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2pgg s TRP 222 N 0.00 2.83 0.27 0.54 -0.11 -1.26 -4.77 118.94 116.45 2pgg s TRP 222 Ca 0.00 -0.18 -0.23 0.00 1.22 0.00 0.00 56.10 56.91 2pgg s TRP 222 Cb 0.00 -1.26 -0.09 0.00 -1.50 0.00 0.00 33.47 30.62 2pgg s TRP 222 CO 0.00 0.59 0.83 0.14 -4.62 0.00 0.00 176.95 173.89 2pgg s VAL 223 N -2.26 4.40 0.87 5.86 -7.23 -1.26 -4.98 120.40 115.80 2pgg s VAL 223 Ca 0.32 1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 61.92 2pgg s VAL 223 Cb -0.07 -3.92 0.12 0.00 0.56 0.00 0.00 36.38 33.06 2pgg s VAL 223 CO 0.22 0.17 1.11 -2.84 -0.31 0.00 0.00 175.10 173.44 2pgg s PRO 224 N -2.03 1.44 -1.31 4.82 0.02 -1.26 -4.90 135.00 131.77 2pgg s PRO 224 Ca 0.47 1.26 -0.18 0.00 0.02 0.00 0.00 61.00 62.56 2pgg s PRO 224 Cb -0.17 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.60 2pgg s PRO 224 CO 0.22 -2.24 1.82 1.28 -0.33 0.00 0.00 177.00 177.74 2pgg n LEU 225 N -3.94 5.05 0.00 -5.54 4.77 -0.09 -4.17 117.00 113.08 2pgg n LEU 225 Ca 0.10 -3.89 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 2pgg n LEU 225 Cb 0.53 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2pgg n LEU 225 CO 0.52 0.13 0.03 0.35 -1.33 0.00 0.00 177.39 177.10 2pgg n THR 226 N 6.33 0.00 -4.49 -5.08 -2.24 -1.26 -2.14 114.28 105.39 2pgg n THR 226 Ca 0.49 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 62.01 2pgg n THR 226 Cb 0.45 1.37 -0.10 0.00 -2.10 0.00 0.00 70.33 69.95 2pgg n THR 226 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pgg s ARG 227 N 0.00 1.94 0.35 -0.78 0.52 -1.26 -4.96 118.95 114.76 2pgg s ARG 227 Ca 0.00 -1.94 -0.14 0.00 -0.52 0.00 0.00 55.73 53.13 2pgg s ARG 227 Cb 0.00 -1.75 -0.08 0.00 0.52 0.00 0.00 34.95 33.63 2pgg s ARG 227 CO 0.00 0.07 0.76 0.14 0.02 0.00 0.00 175.30 176.28 2pgg s VAL 228 N -2.62 4.69 0.35 3.52 -7.23 -1.26 -4.97 120.40 112.89 2pgg s VAL 228 Ca 0.34 0.89 0.16 0.00 -1.81 0.00 0.00 61.98 61.56 2pgg s VAL 228 Cb 0.04 -3.64 0.34 0.00 0.56 0.00 0.00 36.38 33.68 2pgg s VAL 228 CO 0.18 -0.28 1.66 1.55 -0.31 0.00 0.00 175.10 177.90 2pgg h PRO 229 N 1.98 0.29 0.00 4.82 0.13 -1.90 0.93 132.00 138.25 2pgg h PRO 229 Ca -0.48 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2pgg h PRO 229 Cb 1.18 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2pgg h PRO 229 CO 0.65 0.19 -0.03 0.66 -0.23 0.00 0.00 178.00 179.24 2pgg h SER 230 N 0.30 0.00 0.22 1.44 4.64 -1.94 -0.48 113.55 117.74 2pgg h SER 230 Ca 0.74 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 2pgg h SER 230 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2pgg h SER 230 CO -0.59 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 175.94 2pgg n ARG 231 N -3.49 0.77 -0.00 4.77 5.12 0.32 -2.88 116.66 121.26 2pgg n ARG 231 Ca -0.02 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.04 2pgg n ARG 231 Cb 0.13 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 30.64 2pgg n ARG 231 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2pgg n MET 232 N -1.11 1.34 -3.83 5.56 2.81 -0.19 -4.59 117.12 117.12 2pgg n MET 232 Ca 0.20 -0.50 -0.36 0.00 -1.81 0.00 0.00 57.70 55.23 2pgg n MET 232 Cb 0.16 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 31.06 2pgg n MET 232 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pgg s LEU 233 N -1.97 4.50 0.06 4.03 1.43 -1.14 -0.55 118.68 125.04 2pgg s LEU 233 Ca 0.42 -1.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.01 2pgg s LEU 233 Cb 0.21 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2pgg s LEU 233 CO 0.34 -0.38 -0.05 -0.69 0.23 0.00 0.00 176.35 175.80 2pgg s VAL 234 N 1.23 3.74 0.19 -1.59 1.01 -0.66 -4.97 120.40 119.36 2pgg s VAL 234 Ca 0.01 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.14 2pgg s VAL 234 Cb -0.21 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2pgg s VAL 234 CO -0.02 0.23 -0.22 -0.22 0.00 0.00 0.00 175.10 174.87 2pgg s LEU 235 N -1.93 2.44 0.16 3.92 2.96 -1.26 -0.55 118.68 124.42 2pgg s LEU 235 Ca 0.21 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 2pgg s LEU 235 Cb -0.11 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.52 2pgg s LEU 235 CO 0.13 0.07 0.00 0.41 -1.32 0.00 0.00 176.35 175.64 2pgg n THR 236 N 0.23 0.17 -2.05 3.68 -1.04 -0.10 -4.99 114.28 110.18 2pgg n THR 236 Ca -0.12 0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 2pgg n THR 236 Cb 0.57 -0.74 -0.03 0.00 -1.82 0.00 0.00 70.33 68.31 2pgg n THR 236 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2pgg s GLY 237 N -4.86 1.07 0.00 3.41 0.00 -1.21 -4.85 107.32 100.89 2pgg s GLY 237 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2pgg s GLY 237 CO 0.00 3.12 0.04 1.22 0.00 0.00 0.00 173.10 177.48 2pgg n ASP 238 N 9.08 0.10 0.00 1.64 8.00 -1.26 -4.62 116.55 129.48 2pgg n ASP 238 Ca 0.20 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2pgg n ASP 238 Cb 0.46 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2pgg n ASP 238 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pgg n VAL 239 N 0.64 0.00 0.06 2.53 0.31 -1.26 -4.39 118.33 116.22 2pgg n VAL 239 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2pgg n VAL 239 Cb 0.02 -0.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 2pgg n VAL 239 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2pgg n ASP 240 N 0.00 2.82 0.00 4.52 8.00 -1.26 -4.85 116.55 125.78 2pgg n ASP 240 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2pgg n ASP 240 Cb 0.00 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 2pgg n ASP 240 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pgg n GLY 241 N 1.92 1.34 0.83 0.44 0.00 -1.26 -5.08 105.19 103.37 2pgg n GLY 241 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pgg n GLY 241 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pgg n ASP 242 N -0.26 0.00 -3.65 1.61 8.00 -1.26 -5.02 116.55 115.97 2pgg n ASP 242 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2pgg n ASP 242 Cb 0.00 0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 2pgg n ASP 242 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2pgg s PHE 243 N -0.41 -0.00 0.00 1.24 -0.12 -1.26 -4.86 117.98 112.57 2pgg s PHE 243 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 2pgg s PHE 243 Cb 0.00 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 2pgg s PHE 243 CO 0.00 -0.00 0.00 -1.91 -0.05 0.00 0.00 175.22 173.26 2pgg n GLU 244 N 1.42 0.00 -4.82 1.99 4.07 -1.26 -4.61 120.64 117.42 2pgg n GLU 244 Ca -0.09 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.75 2pgg n GLU 244 Cb 0.57 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.79 2pgg n GLU 244 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2pgg s VAL 245 N 0.00 1.41 -0.29 6.31 1.01 -1.26 -0.92 120.40 126.66 2pgg s VAL 245 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2pgg s VAL 245 Cb 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2pgg s VAL 245 CO 0.00 0.41 0.06 -1.61 0.00 0.00 0.00 175.10 173.96 2pgg s GLU 246 N 0.14 3.00 -0.40 2.72 2.02 0.29 -4.98 118.70 121.49 2pgg s GLU 246 Ca -0.06 -0.91 -0.15 0.00 0.02 0.00 0.00 54.97 53.87 2pgg s GLU 246 Cb -0.12 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.79 2pgg s GLU 246 CO 0.03 -0.46 0.29 0.34 0.02 0.00 0.00 175.26 175.48 2pgg s ASP 247 N 1.46 6.10 -0.08 -0.19 -1.08 -1.26 -1.65 116.67 119.97 2pgg s ASP 247 Ca 0.02 -0.79 0.16 0.00 -0.52 0.00 0.00 52.55 51.42 2pgg s ASP 247 Cb -0.17 -2.16 0.53 0.00 -1.46 0.00 0.00 42.92 39.66 2pgg s ASP 247 CO 0.02 -0.41 1.45 -1.22 0.52 0.00 0.00 175.17 175.53 2pgg n TYR 248 N 5.17 0.98 -3.08 -5.34 4.02 0.28 -4.98 117.16 114.21 2pgg n TYR 248 Ca -0.11 -0.63 -0.37 0.00 -0.01 0.00 0.00 57.90 56.78 2pgg n TYR 248 Cb 0.48 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 2pgg n TYR 248 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2pgg s LEU 249 N -1.74 4.41 1.17 7.72 1.43 -1.26 -4.98 118.68 125.43 2pgg s LEU 249 Ca 0.39 1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 2pgg s LEU 249 Cb 0.26 -3.47 0.23 0.00 0.03 0.00 0.00 46.19 43.24 2pgg s LEU 249 CO 0.18 0.09 0.68 -2.65 0.23 0.00 0.00 176.35 174.88 2pgg n PRO 250 N 0.99 -2.25 -2.48 1.29 -0.02 -1.26 -4.96 135.00 126.31 2pgg n PRO 250 Ca -0.04 -0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 60.40 2pgg n PRO 250 Cb 0.50 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 2pgg n PRO 250 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2pgg s LYS 251 N -4.07 4.56 -0.02 -0.52 2.20 -1.26 -5.03 119.74 115.59 2pgg s LYS 251 Ca 0.65 1.76 0.01 0.00 -0.36 0.00 0.00 55.97 58.02 2pgg s LYS 251 Cb -0.21 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2pgg s LYS 251 CO 0.66 0.02 -0.03 -1.50 -0.36 0.00 0.00 175.35 174.13 2pgg s ILE 252 N -0.12 0.34 -0.55 5.43 2.07 -1.26 -5.10 121.20 122.01 2pgg s ILE 252 Ca 0.51 -0.09 -0.27 0.00 -1.41 0.00 0.00 60.65 59.38 2pgg s ILE 252 Cb -0.30 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 41.97 2pgg s ILE 252 CO 0.35 0.14 1.09 0.21 -1.91 0.00 0.00 174.94 174.82 2pgg s ASN 253 N 0.45 6.44 0.51 4.50 3.04 -1.26 -4.89 114.94 123.74 2pgg s ASN 253 Ca -0.05 0.02 0.27 0.00 0.04 0.00 0.00 52.86 53.14 2pgg s ASN 253 Cb -0.08 -2.51 1.35 0.00 -1.54 0.00 0.00 41.25 38.47 2pgg s ASN 253 CO -0.01 -1.34 2.02 -0.07 -3.04 0.00 0.00 177.10 174.66 2pgg h LEU 254 N 11.45 0.00 0.00 3.21 4.07 -1.99 -2.86 115.31 129.19 2pgg h LEU 254 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2pgg h LEU 254 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2pgg h LEU 254 CO 1.14 0.14 -0.36 0.11 -1.08 0.00 0.00 178.44 178.39 2pgg h LYS 255 N 0.00 0.00 -7.39 1.13 1.57 -1.96 -1.45 116.57 108.46 2pgg h LYS 255 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2pgg h LYS 255 Cb 0.43 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.83 2pgg h LYS 255 CO 0.02 0.00 0.38 -1.54 -0.57 0.00 0.00 179.45 177.73 2pgg s SER 256 N -4.65 5.23 0.43 0.86 1.04 -1.08 -4.82 113.70 110.72 2pgg s SER 256 Ca 0.07 1.39 -0.26 0.00 0.48 0.00 0.00 55.95 57.63 2pgg s SER 256 Cb 0.12 -2.23 -0.09 0.00 0.10 0.00 0.00 66.02 63.92 2pgg s SER 256 CO 0.67 -1.51 1.45 -0.44 0.98 0.00 0.00 173.24 174.40 2pgg s SER 257 N -4.00 5.97 0.19 7.02 0.01 -1.26 -1.09 113.70 120.54 2pgg s SER 257 Ca 0.58 2.97 -0.05 0.00 1.31 0.00 0.00 55.95 60.77 2pgg s SER 257 Cb -0.13 -2.66 0.12 0.00 0.21 0.00 0.00 66.02 63.56 2pgg s SER 257 CO 0.54 -1.12 1.56 -1.28 0.41 0.00 0.00 173.24 173.36 2pgg h SER 258 N 2.48 0.78 -5.00 2.44 0.87 -1.16 -3.39 113.55 110.57 2pgg h SER 258 Ca -0.51 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2pgg h SER 258 Cb 1.26 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2pgg h SER 258 CO 0.62 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 2pgg n GLY 259 N -0.02 1.27 0.14 5.77 0.00 -1.26 0.01 105.19 111.10 2pgg n GLY 259 Ca -0.01 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 43.99 2pgg n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pgg n LEU 260 N 0.00 -0.01 -0.03 0.99 7.94 -1.26 -0.25 117.00 124.37 2pgg n LEU 260 Ca 0.00 0.72 -0.02 0.00 -1.11 0.00 0.00 56.01 55.60 2pgg n LEU 260 Cb 0.00 -0.28 0.25 0.00 0.53 0.00 0.00 43.42 43.92 2pgg n LEU 260 CO 0.00 -0.74 0.91 -0.65 -1.11 0.00 0.00 177.39 175.80 2pgg h PRO 261 N 0.00 0.60 -2.16 1.96 0.11 -1.87 -3.35 132.00 127.29 2pgg h PRO 261 Ca 0.28 -0.14 -0.59 0.00 0.11 0.00 0.00 66.00 65.66 2pgg h PRO 261 Cb 0.62 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.24 2pgg h PRO 261 CO -0.38 0.63 -0.78 0.66 -0.21 0.00 0.00 178.00 177.92 2pgg n TYR 262 N -4.25 2.12 -1.74 0.65 4.02 0.65 -5.02 117.16 113.58 2pgg n TYR 262 Ca 0.02 -3.93 -0.42 0.00 -0.01 0.00 0.00 57.90 53.56 2pgg n TYR 262 Cb 0.27 -0.47 -0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2pgg n TYR 262 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pgg n VAL 263 N 1.12 2.04 -0.68 -0.72 0.31 -1.23 -1.99 118.33 117.18 2pgg n VAL 263 Ca 0.26 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2pgg n VAL 263 Cb 0.45 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 2pgg n VAL 263 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pgg n GLY 264 N 0.59 0.82 3.46 2.92 0.00 -1.26 -5.04 105.19 106.68 2pgg n GLY 264 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2pgg n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pgg s ARG 265 N -0.32 1.65 0.25 1.61 0.52 -0.84 -5.06 118.95 116.75 2pgg s ARG 265 Ca 0.00 -1.64 0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2pgg s ARG 265 Cb 0.00 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 2pgg s ARG 265 CO 0.00 0.36 0.42 0.95 0.02 0.00 0.00 175.30 177.06 2pgg s THR 266 N -2.12 5.20 0.36 0.02 -4.23 -1.26 -0.75 115.64 112.86 2pgg s THR 266 Ca 0.26 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 2pgg s THR 266 Cb -0.06 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.26 2pgg s THR 266 CO 0.13 -0.33 1.96 0.11 -0.54 0.00 0.00 174.62 175.95 2pgg h LYS 267 N 1.39 0.71 -0.04 3.99 1.57 -1.11 -0.01 116.57 123.08 2pgg h LYS 267 Ca -0.50 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 2pgg h LYS 267 Cb 1.21 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2pgg h LYS 267 CO 0.64 0.47 -0.07 0.78 -0.57 0.00 0.00 179.45 180.70 2pgg h GLY 268 N 0.74 0.05 1.42 3.86 0.00 -1.52 -1.35 103.07 106.27 2pgg h GLY 268 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2pgg h GLY 268 CO -0.11 0.02 -0.32 1.18 0.00 0.00 0.00 176.54 177.32 2pgg n GLU 269 N -4.43 0.06 -1.80 4.80 1.02 -0.06 -4.11 120.64 116.12 2pgg n GLU 269 Ca -0.02 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2pgg n GLU 269 Cb 0.17 -1.54 0.07 0.00 -0.02 0.00 0.00 31.44 30.11 2pgg n GLU 269 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2pgg n THR 270 N -1.63 1.82 -0.10 2.62 -2.24 -0.56 -4.83 114.28 109.36 2pgg n THR 270 Ca 0.06 -3.25 -0.11 0.00 -2.27 0.00 0.00 64.05 58.48 2pgg n THR 270 Cb 0.36 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2pgg n THR 270 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2pgg h ILE 271 N 3.34 1.24 0.36 2.28 2.04 -1.58 -1.25 117.51 123.94 2pgg h ILE 271 Ca 0.08 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2pgg h ILE 271 Cb 1.40 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2pgg h ILE 271 CO 0.36 0.28 -0.17 1.23 0.00 0.00 0.00 178.15 179.84 2pgg h GLY 272 N 0.32 -0.50 1.53 5.37 0.00 -1.88 -1.94 103.07 105.98 2pgg h GLY 272 Ca 0.09 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 2pgg h GLY 272 CO 0.01 -0.18 0.18 1.05 0.00 0.00 0.00 176.54 177.60 2pgg h GLU 273 N -0.51 0.61 -0.81 4.80 9.09 -1.89 0.91 114.58 126.79 2pgg h GLU 273 Ca -0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 59.36 59.26 2pgg h GLU 273 Cb 0.39 -0.12 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 2pgg h GLU 273 CO 0.08 0.49 0.38 1.98 0.05 0.00 0.00 179.01 182.00 2pgg h MET 274 N 0.61 1.16 -0.11 1.06 -1.53 -1.06 -0.02 114.93 115.04 2pgg h MET 274 Ca 0.15 -0.17 -0.10 0.00 -3.44 0.00 0.00 59.70 56.13 2pgg h MET 274 Cb 0.10 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 30.95 2pgg h MET 274 CO -0.02 0.90 -0.33 0.82 0.14 0.00 0.00 176.91 178.42 2pgg h ILE 275 N 1.14 1.39 -0.54 1.77 2.04 -0.58 -2.95 117.51 119.79 2pgg h ILE 275 Ca 0.28 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2pgg h ILE 275 Cb 0.12 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2pgg h ILE 275 CO -0.03 0.49 0.35 0.00 0.00 0.00 0.00 178.15 178.95 2pgg h ALA 276 N 0.49 0.68 -0.61 1.87 0.00 -0.64 -0.95 119.26 120.12 2pgg h ALA 276 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2pgg h ALA 276 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2pgg h ALA 276 CO 0.07 0.14 -0.01 0.82 0.00 0.00 0.00 179.25 180.27 2pgg h ILE 277 N 0.73 1.27 -0.18 0.00 2.04 -1.08 -1.24 117.51 119.04 2pgg h ILE 277 Ca 0.20 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2pgg h ILE 277 Cb -0.06 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2pgg h ILE 277 CO -0.04 0.43 0.08 0.28 0.00 0.00 0.00 178.15 178.90 2pgg h SER 278 N 0.98 0.24 0.25 1.72 0.02 -1.32 0.17 113.55 115.61 2pgg h SER 278 Ca 0.17 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2pgg h SER 278 Cb 0.58 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2pgg h SER 278 CO 0.03 0.31 -0.50 0.78 -1.14 0.00 0.00 176.83 176.31 2pgg h ASN 279 N 0.15 -1.47 -0.44 3.07 4.21 -1.03 0.13 115.58 120.20 2pgg h ASN 279 Ca 0.06 0.14 0.08 0.00 1.21 0.00 0.00 56.30 57.80 2pgg h ASN 279 Cb 0.14 0.52 -0.07 0.00 -1.12 0.00 0.00 38.32 37.80 2pgg h ASN 279 CO -0.01 -0.58 0.01 -0.61 -1.29 0.00 0.00 177.43 174.95 2pgg h GLN 280 N -0.82 0.12 -0.22 0.81 5.75 -1.15 0.68 115.11 120.28 2pgg h GLN 280 Ca -0.02 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2pgg h GLN 280 Cb 0.79 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 2pgg h GLN 280 CO -0.21 0.08 0.12 0.35 -2.65 0.00 0.00 178.83 176.52 2pgg h PHE 281 N 0.13 0.22 -0.31 3.99 3.57 -0.64 -1.43 116.94 122.46 2pgg h PHE 281 Ca 0.22 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2pgg h PHE 281 Cb 0.31 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2pgg h PHE 281 CO -0.27 0.13 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.75 2pgg h LEU 282 N 0.25 0.51 -0.47 0.59 3.38 -0.17 -1.82 115.31 117.58 2pgg h LEU 282 Ca 0.09 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2pgg h LEU 282 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2pgg h LEU 282 CO -0.05 0.66 -0.37 0.03 0.09 0.00 0.00 178.44 178.79 2pgg h ARG 283 N 0.49 0.86 -0.30 1.13 3.08 -0.59 -1.73 114.38 117.32 2pgg h ARG 283 Ca 0.09 -0.44 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 2pgg h ARG 283 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2pgg h ARG 283 CO 0.03 1.09 -0.23 0.93 -1.07 0.00 0.00 179.97 180.71 2pgg h GLU 284 N 0.71 0.68 -0.56 0.04 5.08 -1.11 -1.83 114.58 117.59 2pgg h GLU 284 Ca 0.06 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2pgg h GLU 284 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2pgg h GLU 284 CO 0.09 0.94 0.31 1.25 -1.00 0.00 0.00 179.01 180.60 2pgg h LEU 285 N 0.43 0.46 0.12 1.33 5.85 -1.30 0.21 115.31 122.41 2pgg h LEU 285 Ca 0.05 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2pgg h LEU 285 Cb 0.79 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2pgg h LEU 285 CO 0.06 0.31 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.11 2pgg h SER 286 N 0.59 -0.19 -0.18 1.25 0.87 -1.21 -0.50 113.55 114.17 2pgg h SER 286 Ca 0.24 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 2pgg h SER 286 Cb 0.12 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2pgg h SER 286 CO -0.15 -0.13 -0.05 0.74 -0.53 0.00 0.00 176.83 176.71 2pgg h THR 287 N -0.19 0.81 0.00 2.23 2.02 -0.83 -0.48 112.91 116.47 2pgg h THR 287 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2pgg h THR 287 Cb 0.17 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2pgg h THR 287 CO 0.01 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.80 2pgg h LEU 288 N -0.00 0.00 0.00 2.58 -0.00 -0.37 -1.44 115.31 116.08 2pgg h LEU 288 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2pgg h LEU 288 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2pgg h LEU 288 CO -0.19 0.03 -0.30 -0.07 -0.00 0.00 0.00 178.44 177.90 2pgg h LEU 289 N 0.00 0.00 -2.89 1.67 3.38 -0.02 -3.21 115.31 114.24 2pgg h LEU 289 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pgg h LEU 289 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pgg h LEU 289 CO 0.00 0.16 0.00 0.29 0.09 0.00 0.00 178.44 178.99 2pgg n LYS 290 N -3.08 3.43 -1.73 1.13 5.02 -0.29 -4.64 118.16 117.99 2pgg n LYS 290 Ca 0.02 -2.67 -0.39 0.00 -2.02 0.00 0.00 58.31 53.25 2pgg n LYS 290 Cb 0.60 -1.81 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2pgg n LYS 290 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pgg n GLN 291 N 1.15 1.73 -2.63 1.97 6.02 -0.98 -4.98 117.38 119.66 2pgg n GLN 291 Ca 0.24 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 2pgg n GLN 291 Cb 0.81 -2.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.50 2pgg n GLN 291 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2pgg s GLY 292 N -0.83 2.07 0.73 1.08 0.00 -1.26 -5.06 107.32 104.04 2pgg s GLY 292 Ca 0.69 0.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 2pgg s GLY 292 CO 0.51 0.30 1.10 0.00 0.00 0.00 0.00 173.10 175.02 2pgg s ALA 293 N -2.47 2.86 -0.92 3.20 0.00 -1.26 -4.40 121.76 118.78 2pgg s ALA 293 Ca 0.56 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 2pgg s ALA 293 Cb -0.10 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 2pgg s ALA 293 CO 0.29 -1.31 0.80 0.41 0.00 0.00 0.00 175.76 175.95 2pgg n GLY 294 N -3.07 -0.85 3.27 0.00 0.00 -1.26 -5.04 105.19 98.23 2pgg n GLY 294 Ca 0.07 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 2pgg n GLY 294 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pgg s THR 295 N -3.34 1.57 0.06 2.61 2.01 -1.26 -5.10 115.64 112.20 2pgg s THR 295 Ca 0.38 -1.59 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2pgg s THR 295 Cb -0.05 -1.52 -0.08 0.00 0.01 0.00 0.00 72.50 70.86 2pgg s THR 295 CO 0.64 -0.18 1.74 -0.75 -0.69 0.00 0.00 174.62 175.37 2pgg s LYS 296 N -2.14 4.17 0.00 4.92 2.36 -1.26 -4.64 119.74 123.15 2pgg s LYS 296 Ca 0.07 2.40 0.00 0.00 -2.55 0.00 0.00 55.97 55.89 2pgg s LYS 296 Cb -0.09 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.95 2pgg s LYS 296 CO 0.04 -0.81 0.00 0.41 1.55 0.00 0.00 175.35 176.55 2pgg n GLY 297 N 4.15 -1.91 3.73 5.54 0.00 -1.26 -4.91 105.19 110.52 2pgg n GLY 297 Ca 0.17 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2pgg n GLY 297 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgg s SER 298 N -2.85 7.47 0.42 1.61 1.04 -1.26 -4.92 113.70 115.21 2pgg s SER 298 Ca 0.00 1.86 0.22 0.00 0.48 0.00 0.00 55.95 58.51 2pgg s SER 298 Cb 0.00 -2.59 0.86 0.00 0.10 0.00 0.00 66.02 64.39 2pgg s SER 298 CO 0.00 -0.08 1.81 0.78 0.98 0.00 0.00 173.24 176.73 2pgg h ASN 299 N 5.39 0.00 0.36 7.02 2.35 -1.91 -3.11 115.58 125.68 2pgg h ASN 299 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2pgg h ASN 299 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 2pgg h ASN 299 CO 0.72 0.28 -0.24 0.50 -1.65 0.00 0.00 177.43 177.04 2pgg h LYS 300 N 0.00 -0.56 -0.50 0.81 3.64 -1.97 -1.96 116.57 116.04 2pgg h LYS 300 Ca -0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2pgg h LYS 300 Cb 0.77 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2pgg h LYS 300 CO 0.04 -0.37 0.23 0.87 -2.27 0.00 0.00 179.45 177.95 2pgg h LYS 301 N -0.58 0.70 -0.69 1.90 1.57 -1.96 -0.46 116.57 117.05 2pgg h LYS 301 Ca -0.03 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2pgg h LYS 301 Cb 0.49 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2pgg h LYS 301 CO 0.02 0.55 0.31 0.87 -0.57 0.00 0.00 179.45 180.63 2pgg h LYS 302 N 0.70 1.00 -0.16 3.15 1.57 -1.42 0.22 116.57 121.64 2pgg h LYS 302 Ca 0.17 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2pgg h LYS 302 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2pgg h LYS 302 CO -0.02 0.81 -0.16 1.25 -0.57 0.00 0.00 179.45 180.75 2pgg h LEU 303 N 0.96 0.41 -1.39 2.94 5.85 -0.83 -2.57 115.31 120.68 2pgg h LEU 303 Ca 0.23 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2pgg h LEU 303 Cb 0.15 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2pgg h LEU 303 CO -0.03 0.81 0.13 -0.07 -0.34 0.00 0.00 178.44 178.94 2pgg h LEU 304 N 0.02 0.49 -0.51 2.25 3.38 -0.97 -2.37 115.31 117.60 2pgg h LEU 304 Ca 0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2pgg h LEU 304 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2pgg h LEU 304 CO 0.04 0.47 -0.18 0.28 0.09 0.00 0.00 178.44 179.14 2pgg h SER 305 N 0.54 1.04 -0.79 -0.43 0.02 -0.88 -1.40 113.55 111.64 2pgg h SER 305 Ca 0.13 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2pgg h SER 305 Cb 0.15 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2pgg h SER 305 CO -0.01 1.18 0.45 -0.03 -1.14 0.00 0.00 176.83 177.29 2pgg h MET 306 N 0.89 1.08 -0.71 3.45 1.85 -1.03 -0.78 114.93 119.68 2pgg h MET 306 Ca 0.12 -0.11 -0.06 0.00 -0.61 0.00 0.00 59.70 59.04 2pgg h MET 306 Cb 0.76 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 32.54 2pgg h MET 306 CO 0.06 0.78 0.20 -0.07 -0.40 0.00 0.00 176.91 177.49 2pgg h LEU 307 N 1.08 1.04 -0.99 3.39 3.38 -1.22 -2.35 115.31 119.65 2pgg h LEU 307 Ca 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pgg h LEU 307 Cb -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 2pgg h LEU 307 CO -0.05 0.99 0.62 0.28 0.09 0.00 0.00 178.44 180.37 2pgg h SER 308 N 1.05 1.14 0.62 -0.43 0.02 -0.59 -0.46 113.55 114.90 2pgg h SER 308 Ca 0.23 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2pgg h SER 308 Cb 0.33 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2pgg h SER 308 CO -0.00 0.85 0.00 0.44 -1.14 0.00 0.00 176.83 176.98 2pgg h ASP 309 N 1.33 0.00 -0.38 3.07 3.32 -0.64 -2.09 116.42 121.03 2pgg h ASP 309 Ca 0.35 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 2pgg h ASP 309 Cb -0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2pgg h ASP 309 CO -0.07 0.00 0.02 -1.22 -1.72 0.00 0.00 179.24 176.25 2pgg n TYR 310 N -2.98 1.34 -0.34 4.55 4.02 -0.23 -4.70 117.16 118.82 2pgg n TYR 310 Ca -0.01 -0.92 0.21 0.00 -0.01 0.00 0.00 57.90 57.18 2pgg n TYR 310 Cb 0.21 -0.40 0.44 0.00 -0.02 0.00 0.00 39.34 39.56 2pgg n TYR 310 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 176.86 175.96 2pgg h TRP 311 N 2.33 0.93 0.00 -0.72 5.08 -0.86 0.19 115.95 122.90 2pgg h TRP 311 Ca 0.04 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.04 2pgg h TRP 311 Cb 1.66 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.56 2pgg h TRP 311 CO 0.73 -0.02 0.09 0.10 -1.28 0.00 0.00 178.44 178.06 2pgg h TYR 312 N 0.46 0.00 0.00 0.12 -0.00 -1.85 0.31 116.97 116.01 2pgg h TYR 312 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.41 2pgg h TYR 312 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.18 2pgg h TYR 312 CO -0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.43 2pgg n LEU 313 N -2.30 0.00 -0.67 0.10 4.77 0.65 -2.83 117.00 116.72 2pgg n LEU 313 Ca -0.01 0.46 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 2pgg n LEU 313 Cb 0.12 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 40.97 2pgg n LEU 313 CO 0.10 -0.09 0.66 -1.54 -1.33 0.00 0.00 177.39 175.18 2pgg n SER 314 N -1.46 3.38 -3.93 -1.43 3.41 0.11 -4.72 113.62 108.98 2pgg n SER 314 Ca 0.07 -2.82 -0.30 0.00 -0.26 0.00 0.00 58.87 55.55 2pgg n SER 314 Cb 0.25 -0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 63.60 2pgg n SER 314 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pgg s GLY 316 N 1.41 1.87 0.12 0.00 0.00 -0.93 -4.39 107.32 105.39 2pgg s GLY 316 Ca -0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 2pgg s GLY 316 CO -0.06 -0.49 1.04 1.08 0.00 0.00 0.00 173.10 174.67 2pgg s LEU 317 N -3.48 4.47 -1.17 0.66 1.43 -0.82 0.17 118.68 119.94 2pgg s LEU 317 Ca 0.43 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.28 2pgg s LEU 317 Cb -0.11 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2pgg s LEU 317 CO 0.29 -0.18 1.49 -0.22 0.23 0.00 0.00 176.35 177.96 2pgg s LEU 318 N 0.05 4.44 -0.08 1.79 2.96 -0.80 -0.92 118.68 126.13 2pgg s LEU 318 Ca 0.50 -2.45 -0.30 0.00 -0.22 0.00 0.00 54.13 51.66 2pgg s LEU 318 Cb -0.26 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 2pgg s LEU 318 CO 0.32 -1.04 1.04 0.12 -1.32 0.00 0.00 176.35 175.46 2pgg s PHE 319 N 3.09 3.49 -0.23 5.38 5.36 -0.38 -4.86 117.98 129.82 2pgg s PHE 319 Ca 0.45 1.55 -0.29 0.00 -0.96 0.00 0.00 56.93 57.68 2pgg s PHE 319 Cb -0.01 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 2pgg s PHE 319 CO -0.00 -0.37 1.16 -1.25 -1.46 0.00 0.00 175.22 173.29 2pgg s PRO 320 N 1.84 4.17 -0.12 10.12 0.04 -1.26 0.39 135.00 150.17 2pgg s PRO 320 Ca 0.50 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2pgg s PRO 320 Cb -0.20 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2pgg s PRO 320 CO 0.21 -0.77 1.18 0.21 0.04 0.00 0.00 177.00 177.86 2pgg s LYS 321 N 3.52 4.30 -0.17 4.56 2.20 0.05 -4.86 119.74 129.34 2pgg s LYS 321 Ca 0.50 1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 57.41 2pgg s LYS 321 Cb -0.17 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2pgg s LYS 321 CO 0.13 -0.55 1.50 0.00 -0.36 0.00 0.00 175.35 176.07 2pgg s ALA 322 N 2.78 3.47 0.21 3.13 0.00 -1.26 -4.54 121.76 125.55 2pgg s ALA 322 Ca 0.53 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 2pgg s ALA 322 Cb -0.22 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2pgg s ALA 322 CO 0.17 -1.59 0.18 -2.00 0.00 0.00 0.00 175.76 172.52 2pgg s GLU 323 N 4.15 1.25 -0.74 0.00 2.56 -0.33 -4.88 118.70 120.72 2pgg s GLU 323 Ca 0.66 -1.58 -0.18 0.00 0.00 0.00 0.00 54.97 53.87 2pgg s GLU 323 Cb -0.25 0.30 0.14 0.00 2.00 0.00 0.00 34.13 36.31 2pgg s GLU 323 CO 0.25 -0.43 0.83 1.03 -0.56 0.00 0.00 175.26 176.38 2pgg s ARG 324 N -4.13 3.32 0.61 4.30 1.81 -1.26 -1.36 118.95 122.24 2pgg s ARG 324 Ca 0.37 -1.72 -0.01 0.00 -1.72 0.00 0.00 55.73 52.65 2pgg s ARG 324 Cb 0.06 -4.47 0.05 0.00 -0.45 0.00 0.00 34.95 30.14 2pgg s ARG 324 CO 0.12 -1.54 0.86 0.71 -0.68 0.00 0.00 175.30 174.77 2pgg s TYR 325 N 2.06 2.70 0.02 -0.53 1.51 -0.39 -4.81 117.35 117.91 2pgg s TYR 325 Ca 0.18 0.05 -0.22 0.00 -1.01 0.00 0.00 57.07 56.08 2pgg s TYR 325 Cb -0.16 -2.89 -0.05 0.00 -0.11 0.00 0.00 41.96 38.75 2pgg s TYR 325 CO -0.02 -1.11 0.66 -0.51 -1.11 0.00 0.00 175.55 173.47 2pgg s ASP 326 N -4.49 7.08 0.27 2.29 1.01 -1.26 -1.37 116.67 120.20 2pgg s ASP 326 Ca 0.59 1.29 0.01 0.00 0.71 0.00 0.00 52.55 55.15 2pgg s ASP 326 Cb -0.10 -2.41 0.59 0.00 1.01 0.00 0.00 42.92 42.02 2pgg s ASP 326 CO 0.41 0.08 1.76 0.11 0.21 0.00 0.00 175.17 177.73 2pgg h LYS 327 N 5.58 0.63 0.00 8.23 1.57 -0.79 0.19 116.57 131.99 2pgg h LYS 327 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2pgg h LYS 327 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2pgg h LYS 327 CO 0.70 0.42 0.00 -1.13 -0.57 0.00 0.00 179.45 178.87 2pgg n SER 328 N -4.85 0.00 -0.28 0.86 3.41 -1.26 -2.14 113.62 109.36 2pgg n SER 328 Ca 0.19 0.23 0.03 0.00 -0.26 0.00 0.00 58.87 59.06 2pgg n SER 328 Cb 0.48 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 2pgg n SER 328 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2pgg n THR 329 N -1.36 0.35 -0.30 6.66 -1.04 0.63 -4.74 114.28 114.49 2pgg n THR 329 Ca 0.05 -0.68 0.23 0.00 -2.04 0.00 0.00 64.05 61.62 2pgg n THR 329 Cb 0.12 0.90 0.54 0.00 -1.82 0.00 0.00 70.33 70.08 2pgg n THR 329 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2pgg h TRP 330 N 1.14 0.53 -0.01 -1.42 2.91 -1.07 -0.34 115.95 117.68 2pgg h TRP 330 Ca 0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2pgg h TRP 330 Cb 0.38 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2pgg h TRP 330 CO 0.04 0.07 -0.65 1.28 -1.03 0.00 0.00 178.44 178.15 2pgg n LEU 331 N -4.53 1.59 -0.04 0.65 4.77 -1.26 -3.91 117.00 114.27 2pgg n LEU 331 Ca 0.23 -0.66 0.02 0.00 -0.03 0.00 0.00 56.01 55.57 2pgg n LEU 331 Cb 0.87 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2pgg n LEU 331 CO 0.29 0.32 0.09 0.35 -1.33 0.00 0.00 177.39 177.11 2pgg n THR 332 N -0.59 0.00 -3.29 -5.08 -2.24 -0.52 -2.51 114.28 100.06 2pgg n THR 332 Ca 0.07 -0.44 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 2pgg n THR 332 Cb 0.40 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 2pgg n THR 332 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2pgg s LYS 333 N -1.02 0.42 -0.05 -0.78 2.20 -0.25 -4.09 119.74 116.16 2pgg s LYS 333 Ca 0.02 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 2pgg s LYS 333 Cb 0.03 -0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.19 2pgg s LYS 333 CO 0.11 -0.73 -0.04 0.99 -0.36 0.00 0.00 175.35 175.32 2pgg s THR 334 N 2.63 0.53 0.44 3.43 2.01 -1.02 -4.69 115.64 118.97 2pgg s THR 334 Ca 0.14 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 2pgg s THR 334 Cb -0.14 -0.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 2pgg s THR 334 CO -0.20 0.24 1.04 -0.13 -0.69 0.00 0.00 174.62 174.88 2pgg s ARG 335 N 1.18 3.98 0.04 4.92 0.52 -1.26 -4.16 118.95 124.17 2pgg s ARG 335 Ca -0.07 1.44 0.07 0.00 -0.52 0.00 0.00 55.73 56.64 2pgg s ARG 335 Cb -0.14 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 2pgg s ARG 335 CO -0.01 -0.29 -0.17 -0.80 0.02 0.00 0.00 175.30 174.05 2pgg s ASN 336 N -1.77 3.87 -0.19 0.23 0.01 -1.26 -0.77 114.94 115.05 2pgg s ASN 336 Ca 0.63 -0.40 -0.03 0.00 -0.71 0.00 0.00 52.86 52.35 2pgg s ASN 336 Cb -0.19 -0.65 -0.01 0.00 0.41 0.00 0.00 41.25 40.81 2pgg s ASN 336 CO 0.24 0.26 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.38 2pgg s ILE 337 N -0.93 3.24 -0.90 0.60 1.01 0.16 -4.84 121.20 119.54 2pgg s ILE 337 Ca 0.15 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 2pgg s ILE 337 Cb -0.11 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.97 2pgg s ILE 337 CO 0.05 0.46 1.37 0.86 0.00 0.00 0.00 174.94 177.68 2pgg s TRP 338 N 1.16 2.45 -0.76 3.97 -0.00 0.11 -1.25 118.94 124.62 2pgg s TRP 338 Ca 0.02 -0.54 -0.26 0.00 -0.00 0.00 0.00 56.10 55.32 2pgg s TRP 338 Cb -0.14 -4.65 -0.00 0.00 -0.00 0.00 0.00 33.47 28.67 2pgg s TRP 338 CO -0.02 -1.98 1.65 0.45 -0.00 0.00 0.00 176.95 177.05 2pgg s SER 339 N 4.44 5.68 0.43 5.86 0.15 -0.09 -4.19 113.70 125.98 2pgg s SER 339 Ca 0.41 -0.32 -0.26 0.00 0.70 0.00 0.00 55.95 56.48 2pgg s SER 339 Cb -0.04 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 2pgg s SER 339 CO 0.00 -2.16 1.42 0.00 1.20 0.00 0.00 173.24 173.70 2pgg s ALA 340 N 7.70 3.32 0.28 5.45 0.00 -1.26 -1.95 121.76 135.30 2pgg s ALA 340 Ca 0.55 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 2pgg s ALA 340 Cb -0.08 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 2pgg s ALA 340 CO 0.11 -1.11 1.44 -2.14 0.00 0.00 0.00 175.76 174.06 2pgg s PRO 341 N -2.34 4.25 0.24 0.00 0.02 -1.26 -4.39 135.00 131.51 2pgg s PRO 341 Ca 0.59 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.82 2pgg s PRO 341 Cb -0.44 -3.07 0.31 0.00 0.02 0.00 0.00 34.50 31.32 2pgg s PRO 341 CO 0.57 -0.42 1.56 0.77 -0.33 0.00 0.00 177.00 179.15 2pgg h SER 342 N 4.46 -1.18 -0.50 2.53 0.02 -0.73 -1.31 113.55 116.84 2pgg h SER 342 Ca -0.47 0.29 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2pgg h SER 342 Cb 1.22 0.67 -0.05 0.00 0.14 0.00 0.00 62.40 64.39 2pgg h SER 342 CO 0.74 -0.30 0.24 -0.65 -1.14 0.00 0.00 176.83 175.72 2pgg h PRO 343 N -0.02 0.45 -0.84 3.45 0.11 -1.86 0.23 132.00 133.52 2pgg h PRO 343 Ca 0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 2pgg h PRO 343 Cb 0.63 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.60 2pgg h PRO 343 CO -0.96 0.30 0.42 1.15 -0.21 0.00 0.00 178.00 178.69 2pgg h THR 344 N 0.46 1.26 -0.27 -1.15 2.02 -1.57 0.41 112.91 114.07 2pgg h THR 344 Ca 0.23 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 2pgg h THR 344 Cb 0.16 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2pgg h THR 344 CO -0.18 0.30 -0.14 -0.74 0.37 0.00 0.00 175.52 175.14 2pgg h HIS 345 N 1.19 0.66 -0.38 3.16 6.17 -0.76 -1.70 115.15 123.48 2pgg h HIS 345 Ca 0.29 -0.16 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 2pgg h HIS 345 Cb 0.10 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 29.86 2pgg h HIS 345 CO 0.01 0.82 0.17 1.25 0.71 0.00 0.00 177.93 180.90 2pgg h LEU 346 N 0.30 0.51 -0.06 0.26 5.85 -0.29 -0.68 115.31 121.20 2pgg h LEU 346 Ca 0.06 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2pgg h LEU 346 Cb 0.65 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2pgg h LEU 346 CO 0.04 0.51 0.02 -0.03 -0.34 0.00 0.00 178.44 178.63 2pgg h MET 347 N 0.48 0.05 -0.23 1.25 4.05 -0.88 -1.94 114.93 117.71 2pgg h MET 347 Ca 0.13 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.44 2pgg h MET 347 Cb 0.14 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2pgg h MET 347 CO -0.01 0.03 -0.33 0.82 0.23 0.00 0.00 176.91 177.64 2pgg h ILE 348 N 0.05 1.29 0.00 1.77 2.04 -1.24 -2.89 117.51 118.52 2pgg h ILE 348 Ca 0.03 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2pgg h ILE 348 Cb 0.02 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2pgg h ILE 348 CO -0.03 0.45 -0.23 0.28 0.00 0.00 0.00 178.15 178.62 2pgg h SER 349 N 0.41 0.00 0.73 1.72 0.02 -0.87 -1.69 113.55 113.87 2pgg h SER 349 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2pgg h SER 349 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2pgg h SER 349 CO 0.06 0.23 0.00 0.24 -1.14 0.00 0.00 176.83 176.22 2pgg h MET 350 N 0.00 0.00 0.00 3.45 2.86 -1.13 -1.66 114.93 118.45 2pgg h MET 350 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 2pgg h MET 350 Cb 0.58 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 2pgg h MET 350 CO 0.03 0.00 -1.82 -0.89 1.06 0.00 0.00 176.91 175.29 2pgg n ILE 351 N -2.54 1.53 -0.06 -1.22 5.41 -0.70 -4.66 119.36 117.11 2pgg n ILE 351 Ca 0.01 -0.18 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 2pgg n ILE 351 Cb 0.23 -1.98 -0.13 0.00 -0.71 0.00 0.00 39.64 37.05 2pgg n ILE 351 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2pgg h THR 352 N -1.00 1.72 -0.09 1.39 1.35 -1.35 -3.39 112.91 111.55 2pgg h THR 352 Ca -0.50 -2.35 0.03 0.00 -0.55 0.00 0.00 66.41 63.04 2pgg h THR 352 Cb 1.43 3.31 -0.03 0.00 -1.73 0.00 0.00 68.15 71.13 2pgg h THR 352 CO -0.30 0.60 -0.07 -0.25 -0.25 0.00 0.00 175.52 175.25 2pgg h TRP 353 N -0.96 -0.17 -0.95 4.73 7.01 -1.56 0.22 115.95 124.28 2pgg h TRP 353 Ca -0.03 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.12 2pgg h TRP 353 Cb 1.06 0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 28.13 2pgg h TRP 353 CO 0.26 -0.11 0.60 -1.35 -2.79 0.00 0.00 178.44 175.06 2pgg h PRO 354 N -0.08 0.80 0.12 2.65 0.11 -1.80 0.18 132.00 133.98 2pgg h PRO 354 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2pgg h PRO 354 Cb 0.17 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2pgg h PRO 354 CO -0.14 0.53 -0.06 0.28 -0.21 0.00 0.00 178.00 178.40 2pgg h VAL 355 N 0.82 0.71 -0.88 3.15 2.07 -1.69 -3.31 116.25 117.11 2pgg h VAL 355 Ca 0.48 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2pgg h VAL 355 Cb 0.65 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2pgg h VAL 355 CO -0.25 0.21 0.53 -0.03 0.02 0.00 0.00 177.57 178.06 2pgg h MET 356 N -0.96 1.20 0.00 1.57 -1.53 -0.35 -2.06 114.93 112.79 2pgg h MET 356 Ca -0.02 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.14 2pgg h MET 356 Cb 0.46 -0.25 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 2pgg h MET 356 CO 0.03 0.84 0.00 -1.13 0.14 0.00 0.00 176.91 176.78 2pgg n SER 357 N -4.41 0.37 -0.66 1.39 3.41 0.62 -1.85 113.62 112.49 2pgg n SER 357 Ca 0.09 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.40 2pgg n SER 357 Cb 0.06 -0.68 0.21 0.00 -0.26 0.00 0.00 64.21 63.53 2pgg n SER 357 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2pgg n ASN 358 N -1.94 3.37 -3.09 4.04 3.02 -0.79 -4.77 115.26 115.10 2pgg n ASN 358 Ca 0.02 -2.82 -0.26 0.00 -0.03 0.00 0.00 54.58 51.48 2pgg n ASN 358 Cb 0.14 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 2pgg n ASN 358 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pgg n SER 359 N -0.52 3.96 -3.27 6.41 7.64 -0.77 -4.52 113.62 122.55 2pgg n SER 359 Ca 0.18 -3.56 -0.33 0.00 1.01 0.00 0.00 58.87 56.17 2pgg n SER 359 Cb 0.74 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 2pgg n SER 359 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2pgg n PRO 360 N 0.12 3.15 -3.87 1.43 -0.02 -1.26 -4.84 135.00 129.70 2pgg n PRO 360 Ca 0.30 -1.95 -0.35 0.00 -2.02 0.00 0.00 63.50 59.48 2pgg n PRO 360 Cb 0.42 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 2pgg n PRO 360 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2pgg s ASN 361 N 2.61 4.51 0.07 2.55 0.01 -1.26 -4.64 114.94 118.79 2pgg s ASN 361 Ca 0.59 -0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2pgg s ASN 361 Cb 0.15 -1.78 0.01 0.00 0.41 0.00 0.00 41.25 40.04 2pgg s ASN 361 CO -0.05 -0.04 0.12 -0.46 -1.51 0.00 0.00 177.10 175.16 2pgg n ASN 362 N 4.82 -0.35 0.25 -1.22 2.04 -1.26 -4.61 115.26 114.94 2pgg n ASN 362 Ca -0.17 -1.34 0.18 0.00 -0.44 0.00 0.00 54.58 52.80 2pgg n ASN 362 Cb 0.51 0.61 0.91 0.00 -2.53 0.00 0.00 39.78 39.27 2pgg n ASN 362 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 2pgg h VAL 363 N 1.20 0.31 0.00 3.53 3.04 -0.82 -2.01 116.25 121.49 2pgg h VAL 363 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2pgg h VAL 363 Cb 0.24 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2pgg h VAL 363 CO 0.08 0.00 -0.13 0.18 -1.01 0.00 0.00 177.57 176.69 2pgg n LEU 364 N -3.53 0.80 -0.01 3.16 4.77 -1.26 -4.13 117.00 116.81 2pgg n LEU 364 Ca -0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2pgg n LEU 364 Cb 0.28 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2pgg n LEU 364 CO 0.24 -0.16 0.33 -0.46 -1.33 0.00 0.00 177.39 176.01 2pgg n ASN 365 N -2.24 0.64 -3.51 -1.43 2.04 -0.85 -4.85 115.26 105.07 2pgg n ASN 365 Ca 0.05 -1.34 -0.14 0.00 -0.44 0.00 0.00 54.58 52.72 2pgg n ASN 365 Cb 0.43 -0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.57 2pgg n ASN 365 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2pgg s ILE 366 N -0.33 -0.46 0.17 1.53 1.01 -0.82 -4.61 121.20 117.69 2pgg s ILE 366 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.35 2pgg s ILE 366 Cb 0.00 -0.65 -0.12 0.00 0.01 0.00 0.00 42.46 41.70 2pgg s ILE 366 CO 0.00 -0.07 1.73 1.21 0.00 0.00 0.00 174.94 177.80 2pgg n GLU 367 N 5.35 2.63 0.00 2.79 2.13 -1.26 -1.61 120.64 130.66 2pgg n GLU 367 Ca -0.05 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2pgg n GLU 367 Cb 0.50 -2.79 0.00 0.00 0.27 0.00 0.00 31.44 29.42 2pgg n GLU 367 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pgg n GLY 368 N 3.93 2.04 3.65 8.31 0.00 -1.26 -4.59 105.19 117.27 2pgg n GLY 368 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2pgg n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgg n PRO 370 N 6.48 1.06 -2.42 0.00 -0.04 -1.26 -3.08 135.00 135.73 2pgg n PRO 370 Ca 0.12 -0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 62.80 2pgg n PRO 370 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2pgg n PRO 370 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2pgg s SER 371 N -2.22 6.54 -0.07 3.54 0.15 -1.26 0.04 113.70 120.42 2pgg s SER 371 Ca 0.36 2.16 0.10 0.00 0.70 0.00 0.00 55.95 59.26 2pgg s SER 371 Cb 0.21 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 62.11 2pgg s SER 371 CO 0.41 -0.65 1.12 0.18 1.20 0.00 0.00 173.24 175.50 2pgg n LEU 372 N -0.19 2.39 -0.04 3.45 4.77 -0.63 -0.67 117.00 126.08 2pgg n LEU 372 Ca 0.06 -2.50 -0.01 0.00 -0.03 0.00 0.00 56.01 53.52 2pgg n LEU 372 Cb 0.49 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2pgg n LEU 372 CO 0.46 0.62 0.31 0.00 -1.33 0.00 0.00 177.39 177.45 2pgg n TYR 373 N -0.76 -0.04 -1.50 -1.77 9.36 -1.26 -1.19 117.16 120.00 2pgg n TYR 373 Ca 0.09 0.12 -0.22 0.00 3.32 0.00 0.00 57.90 61.21 2pgg n TYR 373 Cb 0.47 -0.35 0.12 0.00 -0.63 0.00 0.00 39.34 38.95 2pgg n TYR 373 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2pgg n LYS 374 N -2.96 2.56 -1.90 2.98 5.02 -1.26 -5.02 118.16 117.58 2pgg n LYS 374 Ca 0.00 -3.40 -0.39 0.00 -2.02 0.00 0.00 58.31 52.50 2pgg n LYS 374 Cb 0.03 -2.13 0.02 0.00 -0.02 0.00 0.00 35.03 32.92 2pgg n LYS 374 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2pgg s PHE 375 N -3.52 2.51 -0.06 2.13 5.36 -0.33 -5.04 117.98 119.03 2pgg s PHE 375 Ca 0.55 1.37 -0.02 0.00 -0.96 0.00 0.00 56.93 57.86 2pgg s PHE 375 Cb 0.45 -3.76 0.04 0.00 -0.34 0.00 0.00 43.02 39.41 2pgg s PHE 375 CO 0.02 -2.58 0.11 1.21 -1.46 0.00 0.00 175.22 172.52 2pgg s ASN 376 N -0.82 0.44 0.53 6.13 3.84 -1.26 -5.06 114.94 118.74 2pgg s ASN 376 Ca 0.64 0.22 0.29 0.00 0.21 0.00 0.00 52.86 54.22 2pgg s ASN 376 Cb -0.40 0.10 1.49 0.00 -0.55 0.00 0.00 41.25 41.90 2pgg s ASN 376 CO 0.49 -0.19 2.08 1.55 -2.79 0.00 0.00 177.10 178.24 2pgg h PRO 377 N 7.84 0.00 -7.61 0.43 0.13 -1.95 -3.36 132.00 127.47 2pgg h PRO 377 Ca -0.28 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.40 2pgg h PRO 377 Cb 1.12 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.41 2pgg h PRO 377 CO 0.29 0.10 0.32 -0.06 -0.23 0.00 0.00 178.00 178.43 2pgg s PHE 378 N -4.16 1.69 -1.46 1.56 0.40 -1.26 -0.65 117.98 114.10 2pgg s PHE 378 Ca -0.03 0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 56.78 2pgg s PHE 378 Cb 0.13 -3.70 0.03 0.00 0.51 0.00 0.00 43.02 39.98 2pgg s PHE 378 CO 0.57 -2.80 0.58 0.54 0.70 0.00 0.00 175.22 174.81 2pgg n ARG 379 N -3.98 -4.46 -0.66 0.44 1.74 -0.38 -1.40 116.66 107.97 2pgg n ARG 379 Ca 0.12 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2pgg n ARG 379 Cb 0.60 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 2pgg n ARG 379 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pgg n GLY 380 N -1.42 0.81 0.29 -0.13 0.00 -1.16 -1.97 105.19 101.62 2pgg n GLY 380 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2pgg n GLY 380 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pgg h GLY 381 N 0.00 -0.64 1.01 -0.02 0.00 -0.90 -2.88 103.07 99.63 2pgg h GLY 381 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2pgg h GLY 381 CO 0.00 -0.24 0.49 -2.00 0.00 0.00 0.00 176.54 174.78 2pgg h LEU 382 N -0.61 0.94 -1.11 3.11 5.85 -1.09 -2.60 115.31 119.80 2pgg h LEU 382 Ca -0.03 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.74 2pgg h LEU 382 Cb 0.51 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2pgg h LEU 382 CO 0.02 0.72 0.61 -1.13 -0.34 0.00 0.00 178.44 178.32 2pgg h ASN 383 N 1.08 0.86 -0.40 1.25 -1.24 -1.63 -0.90 115.58 114.60 2pgg h ASN 383 Ca 0.28 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.22 2pgg h ASN 383 Cb -0.05 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 2pgg h ASN 383 CO -0.05 0.48 -0.16 0.03 -1.29 0.00 0.00 177.43 176.44 2pgg h ARG 384 N 0.94 0.88 -0.44 6.67 3.08 -1.25 -1.06 114.38 123.19 2pgg h ARG 384 Ca 0.46 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2pgg h ARG 384 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2pgg h ARG 384 CO -0.22 0.97 0.07 0.82 -1.07 0.00 0.00 179.97 180.54 2pgg h ILE 385 N 0.78 1.24 -0.39 2.04 1.08 -1.12 -0.18 117.51 120.96 2pgg h ILE 385 Ca 0.12 -0.88 0.01 0.00 -0.39 0.00 0.00 64.86 63.71 2pgg h ILE 385 Cb 0.69 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 2pgg h ILE 385 CO 0.05 0.31 0.25 0.58 -0.69 0.00 0.00 178.15 178.65 2pgg h VAL 386 N 0.58 1.09 -0.28 1.67 2.07 -1.02 0.12 116.25 120.48 2pgg h VAL 386 Ca 0.13 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2pgg h VAL 386 Cb 0.37 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2pgg h VAL 386 CO 0.01 0.09 0.16 -0.33 0.02 0.00 0.00 177.57 177.52 2pgg h GLU 387 N 0.51 0.37 -0.58 1.57 5.08 -0.94 0.19 114.58 120.78 2pgg h GLU 387 Ca 0.15 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2pgg h GLU 387 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2pgg h GLU 387 CO -0.04 0.27 0.02 2.35 -1.00 0.00 0.00 179.01 180.61 2pgg h TRP 388 N 0.38 1.07 -0.15 4.33 7.01 0.31 -1.71 115.95 127.19 2pgg h TRP 388 Ca 0.10 -0.17 -0.08 0.00 2.11 0.00 0.00 58.89 60.86 2pgg h TRP 388 Cb 0.00 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 2pgg h TRP 388 CO 0.00 0.94 -0.22 0.82 -2.79 0.00 0.00 178.44 177.19 2pgg h ILE 389 N 0.91 1.36 -0.85 2.65 2.04 0.57 -3.21 117.51 120.99 2pgg h ILE 389 Ca 0.17 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.64 2pgg h ILE 389 Cb 0.50 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 2pgg h ILE 389 CO 0.02 0.43 0.56 -0.07 0.00 0.00 0.00 178.15 179.09 2pgg h LEU 390 N 0.02 0.87 -9.16 1.44 3.38 -0.58 -3.43 115.31 107.86 2pgg h LEU 390 Ca 0.01 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.33 2pgg h LEU 390 Cb 0.79 -0.19 0.11 0.00 0.09 0.00 0.00 40.66 41.45 2pgg h LEU 390 CO 0.05 0.58 -0.31 0.00 0.09 0.00 0.00 178.44 178.85 2pgg n ALA 391 N -2.41 -2.00 0.29 1.53 0.00 -0.65 -4.81 120.51 112.45 2pgg n ALA 391 Ca 0.12 0.42 0.16 0.00 0.00 0.00 0.00 53.44 54.15 2pgg n ALA 391 Cb 0.16 -1.75 0.89 0.00 0.00 0.00 0.00 19.45 18.75 2pgg n ALA 391 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2pgg h PRO 392 N 1.34 0.00 -6.88 0.00 0.13 -1.89 -3.45 132.00 121.25 2pgg h PRO 392 Ca -0.32 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 2pgg h PRO 392 Cb 1.41 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.65 2pgg h PRO 392 CO 0.58 0.05 0.69 0.39 -0.23 0.00 0.00 178.00 179.49 2pgg n GLU 393 N -3.46 2.51 -3.65 0.86 4.71 -1.26 -4.99 120.64 115.36 2pgg n GLU 393 Ca -0.02 0.88 -0.02 0.00 -0.01 0.00 0.00 57.16 57.99 2pgg n GLU 393 Cb 0.17 -2.57 -0.04 0.00 -1.01 0.00 0.00 31.44 28.00 2pgg n GLU 393 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2pgg s GLU 394 N -2.04 0.02 0.44 3.49 -1.05 -1.26 -4.70 118.70 113.60 2pgg s GLU 394 Ca 0.54 0.00 -0.24 0.00 -0.15 0.00 0.00 54.97 55.13 2pgg s GLU 394 Cb -0.50 0.01 -0.08 0.00 -0.44 0.00 0.00 34.13 33.12 2pgg s GLU 394 CO 0.63 -0.01 1.16 -2.14 0.95 0.00 0.00 175.26 175.85 2pgg s PRO 395 N -1.24 3.87 0.09 -4.83 0.02 -1.26 -4.99 135.00 126.66 2pgg s PRO 395 Ca 0.10 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 2pgg s PRO 395 Cb -0.01 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 2pgg s PRO 395 CO -0.07 -0.46 0.07 -1.59 -0.33 0.00 0.00 177.00 174.63 2pgg s LYS 396 N -2.58 0.80 -0.00 5.54 -2.85 -0.74 -5.00 119.74 114.92 2pgg s LYS 396 Ca 0.61 -1.22 -0.06 0.00 -1.00 0.00 0.00 55.97 54.30 2pgg s LYS 396 Cb -0.29 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2pgg s LYS 396 CO 0.35 -0.22 0.12 0.00 0.10 0.00 0.00 175.35 175.70 2pgg s ALA 397 N -3.95 -0.28 0.24 0.59 0.00 -1.26 -1.24 121.76 115.87 2pgg s ALA 397 Ca 0.12 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.08 2pgg s ALA 397 Cb 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2pgg s ALA 397 CO -0.06 -0.18 -0.20 -0.51 0.00 0.00 0.00 175.76 174.81 2pgg s LEU 398 N -1.19 2.59 -0.12 0.00 1.43 0.15 -4.60 118.68 116.94 2pgg s LEU 398 Ca -0.13 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 51.92 2pgg s LEU 398 Cb -0.07 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.99 2pgg s LEU 398 CO 0.01 0.07 0.37 0.54 0.23 0.00 0.00 176.35 177.57 2pgg s VAL 399 N -2.13 0.01 -0.28 -1.59 0.11 0.11 -1.40 120.40 115.23 2pgg s VAL 399 Ca 0.26 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2pgg s VAL 399 Cb -0.06 -0.55 0.16 0.00 -1.53 0.00 0.00 36.38 34.40 2pgg s VAL 399 CO 0.13 -0.04 0.42 -0.47 -3.33 0.00 0.00 175.10 171.81 2pgg s TYR 400 N -0.08 -1.05 0.00 1.54 5.04 -0.36 -1.61 117.35 120.83 2pgg s TYR 400 Ca -0.02 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2pgg s TYR 400 Cb -0.03 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.26 2pgg s TYR 400 CO 0.01 -0.90 0.00 0.00 -1.34 0.00 0.00 175.55 173.32 2pgg n ALA 401 N 5.37 0.00 0.65 3.97 0.00 -1.26 -0.39 120.51 128.84 2pgg n ALA 401 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2pgg n ALA 401 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.13 2pgg n ALA 401 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pgg n ASP 402 N 6.50 2.29 -4.61 0.00 5.75 -1.26 -3.50 116.55 121.72 2pgg n ASP 402 Ca 0.00 -2.08 -0.34 0.00 -0.01 0.00 0.00 54.79 52.35 2pgg n ASP 402 Cb 0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 2pgg n ASP 402 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2pgg s ASN 403 N -0.89 5.35 -0.08 -1.12 0.01 0.48 -1.89 114.94 116.79 2pgg s ASN 403 Ca 0.26 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.47 2pgg s ASN 403 Cb 0.15 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.99 2pgg s ASN 403 CO 0.16 0.22 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.23 2pgg s ILE 404 N 0.09 1.05 -0.20 0.60 1.01 0.01 -1.23 121.20 122.54 2pgg s ILE 404 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2pgg s ILE 404 Cb -0.13 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.35 2pgg s ILE 404 CO 0.01 0.35 -0.12 -0.31 0.00 0.00 0.00 174.94 174.87 2pgg s TYR 405 N 1.00 2.87 -0.05 3.97 1.51 -0.49 0.06 117.35 126.22 2pgg s TYR 405 Ca -0.08 -1.28 0.05 0.00 -1.01 0.00 0.00 57.07 54.75 2pgg s TYR 405 Cb -0.15 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2pgg s TYR 405 CO -0.00 -0.67 -0.21 0.42 -1.11 0.00 0.00 175.55 173.98 2pgg s ILE 406 N 1.38 1.74 -0.28 2.71 1.01 -0.66 0.29 121.20 127.40 2pgg s ILE 406 Ca 0.05 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2pgg s ILE 406 Cb -0.14 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 2pgg s ILE 406 CO -0.08 0.49 0.06 -0.69 0.00 0.00 0.00 174.94 174.73 2pgg s VAL 407 N -0.07 3.98 -0.03 2.92 1.01 -0.37 -0.41 120.40 127.42 2pgg s VAL 407 Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2pgg s VAL 407 Cb -0.13 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2pgg s VAL 407 CO 0.03 0.17 0.07 -2.28 0.00 0.00 0.00 175.10 173.09 2pgg s HIS 408 N 1.52 -0.05 -1.54 5.22 5.04 -0.61 -1.79 115.29 123.09 2pgg s HIS 408 Ca 0.04 0.24 -0.10 0.00 -1.54 0.00 0.00 55.06 53.69 2pgg s HIS 408 Cb -0.16 -0.12 0.08 0.00 0.04 0.00 0.00 32.58 32.42 2pgg s HIS 408 CO 0.02 -0.10 0.72 0.43 -2.34 0.00 0.00 174.74 173.48 2pgg n SER 409 N 3.87 -2.63 -2.67 9.88 7.64 -1.26 -0.72 113.62 127.73 2pgg n SER 409 Ca -0.23 -0.93 -0.20 0.00 1.01 0.00 0.00 58.87 58.52 2pgg n SER 409 Cb 0.53 -3.26 0.01 0.00 -1.01 0.00 0.00 64.21 60.48 2pgg n SER 409 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2pgg n ASN 410 N -2.84 -5.50 -4.21 6.43 5.15 -1.26 -4.81 115.26 108.22 2pgg n ASN 410 Ca -0.08 -0.09 -0.26 0.00 -0.60 0.00 0.00 54.58 53.54 2pgg n ASN 410 Cb 0.57 -4.55 -0.15 0.00 -0.53 0.00 0.00 39.78 35.12 2pgg n ASN 410 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2pgg s THR 411 N -3.01 1.56 -0.23 -0.44 2.01 0.10 -1.46 115.64 114.17 2pgg s THR 411 Ca 0.12 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 2pgg s THR 411 Cb -0.06 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2pgg s THR 411 CO 0.15 0.42 0.13 0.86 -0.69 0.00 0.00 174.62 175.49 2pgg s TRP 412 N -0.49 3.26 -0.19 4.92 -0.11 -0.11 -1.57 118.94 124.64 2pgg s TRP 412 Ca 0.08 0.09 -0.01 0.00 1.22 0.00 0.00 56.10 57.47 2pgg s TRP 412 Cb -0.08 -2.23 0.01 0.00 -1.50 0.00 0.00 33.47 29.67 2pgg s TRP 412 CO -0.01 0.00 -0.13 0.71 -4.62 0.00 0.00 176.95 172.90 2pgg s TYR 413 N 1.05 2.84 -0.32 5.86 1.51 0.45 -0.85 117.35 127.89 2pgg s TYR 413 Ca 0.06 -1.26 -0.14 0.00 -1.01 0.00 0.00 57.07 54.72 2pgg s TYR 413 Cb -0.14 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 2pgg s TYR 413 CO 0.04 -0.64 0.32 0.45 -1.11 0.00 0.00 175.55 174.61 2pgg s SER 414 N 1.25 6.15 -0.00 2.29 0.15 0.16 -1.65 113.70 122.04 2pgg s SER 414 Ca 0.03 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.58 2pgg s SER 414 Cb -0.14 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2pgg s SER 414 CO -0.07 -0.26 -0.16 -0.63 1.20 0.00 0.00 173.24 173.32 2pgg s ILE 415 N 1.95 2.92 -0.03 6.45 1.01 0.11 -1.66 121.20 131.94 2pgg s ILE 415 Ca 0.11 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.84 2pgg s ILE 415 Cb -0.16 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2pgg s ILE 415 CO 0.11 0.46 -0.16 -1.81 0.00 0.00 0.00 174.94 173.54 2pgg s ASP 416 N -1.11 1.96 0.24 3.58 1.01 -0.03 -0.81 116.67 121.52 2pgg s ASP 416 Ca 0.13 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.79 2pgg s ASP 416 Cb -0.11 -0.39 -0.09 0.00 1.01 0.00 0.00 42.92 43.34 2pgg s ASP 416 CO 0.03 0.17 1.22 -0.76 0.21 0.00 0.00 175.17 176.04 2pgg s LEU 417 N -0.14 4.46 -0.42 1.23 1.43 -0.79 -0.06 118.68 124.38 2pgg s LEU 417 Ca 0.01 2.38 -0.28 0.00 -1.03 0.00 0.00 54.13 55.21 2pgg s LEU 417 Cb -0.09 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 2pgg s LEU 417 CO 0.01 -0.39 1.58 -0.70 0.23 0.00 0.00 176.35 177.08 2pgg s GLU 418 N -0.84 3.37 -1.21 1.70 2.12 0.41 -3.13 118.70 121.12 2pgg s GLU 418 Ca 0.51 1.01 -0.08 0.00 0.36 0.00 0.00 54.97 56.77 2pgg s GLU 418 Cb -0.35 -4.13 -0.01 0.00 0.26 0.00 0.00 34.13 29.90 2pgg s GLU 418 CO 0.42 -1.82 0.75 1.63 -0.54 0.00 0.00 175.26 175.70 2pgg n LYS 419 N 8.37 -3.17 0.00 4.30 5.02 -1.26 -4.75 118.16 126.67 2pgg n LYS 419 Ca 0.18 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 2pgg n LYS 419 Cb 0.48 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 2pgg n LYS 419 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pgg n GLY 420 N -1.57 -0.46 0.32 0.72 0.00 -1.18 -1.36 105.19 101.65 2pgg n GLY 420 Ca -0.20 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2pgg n GLY 420 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pgg h GLU 421 N 0.00 0.10 0.00 1.61 3.07 -1.89 0.20 114.58 117.67 2pgg h GLU 421 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2pgg h GLU 421 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2pgg h GLU 421 CO 0.00 0.06 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 2pgg n ALA 422 N -2.85 1.14 0.64 3.43 0.00 -0.46 -0.89 120.51 121.52 2pgg n ALA 422 Ca 0.23 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.88 2pgg n ALA 422 Cb 0.76 -1.19 0.17 0.00 0.00 0.00 0.00 19.45 19.19 2pgg n ALA 422 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pgg n ASN 423 N -1.88 0.65 -4.77 0.00 3.02 0.71 -3.67 115.26 109.32 2pgg n ASN 423 Ca -0.00 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 2pgg n ASN 423 Cb 0.05 0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 2pgg n ASN 423 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pgg s THR 425 N -1.28 2.78 0.26 0.00 -1.32 -1.26 -4.07 115.64 110.74 2pgg s THR 425 Ca 0.55 -1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 59.22 2pgg s THR 425 Cb -0.36 -2.34 0.23 0.00 -1.51 0.00 0.00 72.50 68.53 2pgg s THR 425 CO 0.46 -0.07 1.80 0.03 -2.21 0.00 0.00 174.62 174.63 2pgg h ARG 426 N 3.18 0.77 0.00 7.08 3.08 -1.87 -0.82 114.38 125.80 2pgg h ARG 426 Ca -0.47 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 2pgg h ARG 426 Cb 1.20 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2pgg h ARG 426 CO 0.50 0.51 -0.14 -0.56 -1.07 0.00 0.00 179.97 179.21 2pgg h GLN 427 N 0.80 0.00 0.25 0.04 -0.00 -1.95 -1.63 115.11 112.61 2pgg h GLN 427 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.07 2pgg h GLN 427 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 2pgg h GLN 427 CO -0.27 0.14 -0.12 0.45 -0.00 0.00 0.00 178.83 179.02 2pgg h HIS 428 N 0.00 -0.31 -0.18 0.06 3.86 -1.53 -0.66 115.15 116.39 2pgg h HIS 428 Ca -0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2pgg h HIS 428 Cb 0.65 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2pgg h HIS 428 CO 0.00 -0.11 0.07 1.98 0.86 0.00 0.00 177.93 180.74 2pgg h MET 429 N -0.46 0.25 -0.51 2.45 1.85 -1.25 -1.14 114.93 116.11 2pgg h MET 429 Ca -0.03 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 58.98 2pgg h MET 429 Cb 0.34 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 2pgg h MET 429 CO 0.06 0.21 0.13 0.37 -0.40 0.00 0.00 176.91 177.28 2pgg h GLN 430 N 0.25 0.82 -0.27 0.39 4.15 -0.87 0.36 115.11 119.94 2pgg h GLN 430 Ca 0.07 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2pgg h GLN 430 Cb 0.06 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2pgg h GLN 430 CO -0.01 0.78 -0.03 0.00 -1.93 0.00 0.00 178.83 177.64 2pgg h ALA 431 N 1.00 1.46 -0.44 3.38 0.00 -0.16 -0.77 119.26 123.73 2pgg h ALA 431 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2pgg h ALA 431 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pgg h ALA 431 CO 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 179.25 179.40 2pgg h ALA 432 N 1.58 0.62 -0.47 0.00 0.00 -0.32 -0.97 119.26 119.69 2pgg h ALA 432 Ca 0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2pgg h ALA 432 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pgg h ALA 432 CO 0.01 0.61 -0.16 0.52 0.00 0.00 0.00 179.25 180.24 2pgg h MET 433 N 0.76 0.91 0.29 0.00 2.07 -0.52 -1.26 114.93 117.18 2pgg h MET 433 Ca 0.09 -0.35 -0.01 0.00 -2.07 0.00 0.00 59.70 57.37 2pgg h MET 433 Cb 0.81 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 2pgg h MET 433 CO 0.07 1.00 -0.19 -0.92 1.07 0.00 0.00 176.91 177.94 2pgg h TYR 434 N 0.80 -0.49 -0.32 -0.22 3.20 -0.98 -0.49 116.97 118.48 2pgg h TYR 434 Ca 0.12 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.05 2pgg h TYR 434 Cb 0.70 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 2pgg h TYR 434 CO 0.04 -0.29 -0.12 -0.92 -1.64 0.00 0.00 178.16 175.23 2pgg h TYR 435 N -0.46 -0.28 -0.79 -3.82 3.20 -1.03 0.95 116.97 114.73 2pgg h TYR 435 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2pgg h TYR 435 Cb 0.39 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 2pgg h TYR 435 CO -0.09 -0.19 0.40 0.82 -1.64 0.00 0.00 178.16 177.46 2pgg h ILE 436 N -0.06 1.24 0.00 1.81 1.08 -1.01 -1.11 117.51 119.46 2pgg h ILE 436 Ca 0.16 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2pgg h ILE 436 Cb 0.31 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2pgg h ILE 436 CO -0.36 0.28 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.31 2pgg h LEU 437 N 1.12 -0.00 -1.41 1.44 3.38 -0.52 0.26 115.31 119.58 2pgg h LEU 437 Ca 0.28 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2pgg h LEU 437 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2pgg h LEU 437 CO -0.04 0.64 -0.02 0.71 0.09 0.00 0.00 178.44 179.82 2pgg h THR 438 N -0.65 1.16 0.01 0.22 1.35 -0.80 0.26 112.91 114.46 2pgg h THR 438 Ca -0.00 -0.65 -0.35 0.00 -0.55 0.00 0.00 66.41 64.86 2pgg h THR 438 Cb 0.64 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.01 2pgg h THR 438 CO 0.00 0.22 -2.22 0.54 -0.25 0.00 0.00 175.52 173.80 2pgg n ARG 439 N -4.32 0.67 -0.09 4.72 3.00 -0.43 -4.33 116.66 115.88 2pgg n ARG 439 Ca 0.00 0.10 -0.08 0.00 -0.01 0.00 0.00 57.85 57.86 2pgg n ARG 439 Cb 0.22 -1.59 -0.16 0.00 0.00 0.00 0.00 32.46 30.93 2pgg n ARG 439 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pgg n GLY 440 N 1.78 -0.99 2.44 -0.13 0.00 0.91 -4.55 105.19 104.66 2pgg n GLY 440 Ca -0.31 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 2pgg n GLY 440 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pgg n TRP 441 N -2.70 3.28 -3.74 1.61 7.02 0.90 -4.13 117.44 119.68 2pgg n TRP 441 Ca -0.30 -2.92 -0.12 0.00 -1.02 0.00 0.00 57.50 53.14 2pgg n TRP 441 Cb 1.10 -0.23 -0.12 0.00 -2.42 0.00 0.00 31.31 29.63 2pgg n TRP 441 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2pgg s SER 442 N -3.33 -0.29 -0.48 -0.99 0.01 -1.17 -1.14 113.70 106.31 2pgg s SER 442 Ca 0.49 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.20 2pgg s SER 442 Cb 0.41 0.48 0.12 0.00 0.21 0.00 0.00 66.02 67.23 2pgg s SER 442 CO -0.17 -0.15 0.38 -0.62 0.41 0.00 0.00 173.24 173.09 2pgg s ASP 443 N 0.93 5.82 -1.47 2.44 -1.08 0.21 -4.56 116.67 118.96 2pgg s ASP 443 Ca -0.07 -1.85 -0.11 0.00 -0.52 0.00 0.00 52.55 50.00 2pgg s ASP 443 Cb -0.08 -2.06 0.07 0.00 -1.46 0.00 0.00 42.92 39.40 2pgg s ASP 443 CO -0.06 -0.72 0.81 0.59 0.52 0.00 0.00 175.17 176.31 2pgg n ASN 444 N 4.99 -4.80 0.00 -0.34 4.13 -1.26 -0.96 115.26 117.02 2pgg n ASN 444 Ca -0.09 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.56 2pgg n ASN 444 Cb 0.41 -3.86 0.00 0.00 -1.54 0.00 0.00 39.78 34.78 2pgg n ASN 444 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pgg n GLY 445 N -1.54 0.37 3.64 7.41 0.00 -1.26 -4.86 105.19 108.94 2pgg n GLY 445 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2pgg n GLY 445 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pgg s ASP 446 N -2.29 6.78 0.36 1.61 1.01 -0.13 -0.05 116.67 123.96 2pgg s ASP 446 Ca 0.00 0.96 -0.28 0.00 0.71 0.00 0.00 52.55 53.95 2pgg s ASP 446 Cb 0.00 -2.41 -0.12 0.00 1.01 0.00 0.00 42.92 41.40 2pgg s ASP 446 CO 0.00 -0.48 1.36 -2.65 0.21 0.00 0.00 175.17 173.61 2pgg n PRO 447 N 5.94 2.31 -1.75 8.23 -0.02 -1.26 -0.62 135.00 147.83 2pgg n PRO 447 Ca 0.04 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 2pgg n PRO 447 Cb 0.48 -2.46 0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2pgg n PRO 447 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2pgg n MET 448 N 0.44 3.23 -3.68 -0.52 2.81 -0.29 -4.83 117.12 114.28 2pgg n MET 448 Ca 0.04 -3.97 -0.14 0.00 -1.81 0.00 0.00 57.70 51.81 2pgg n MET 448 Cb 0.37 -2.17 -0.08 0.00 -0.71 0.00 0.00 33.22 30.63 2pgg n MET 448 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2pgg s PHE 449 N -3.55 -0.50 0.88 2.03 -0.12 -1.26 -0.91 117.98 114.55 2pgg s PHE 449 Ca 0.50 1.10 -0.12 0.00 -0.05 0.00 0.00 56.93 58.36 2pgg s PHE 449 Cb 0.41 0.21 0.16 0.00 -0.63 0.00 0.00 43.02 43.17 2pgg s PHE 449 CO 0.02 -0.35 1.22 0.54 -0.05 0.00 0.00 175.22 176.60 2pgg s ASN 450 N -0.31 3.62 0.37 1.98 2.20 -0.91 -4.88 114.94 117.02 2pgg s ASN 450 Ca -0.05 0.19 0.28 0.00 -0.94 0.00 0.00 52.86 52.34 2pgg s ASN 450 Cb -0.03 -0.39 1.04 0.00 -2.00 0.00 0.00 41.25 39.87 2pgg s ASN 450 CO 0.03 -2.40 1.81 1.56 -2.94 0.00 0.00 177.10 175.16 2pgg h GLN 451 N -1.28 0.00 0.32 3.55 1.08 -1.94 -1.94 115.11 114.90 2pgg h GLN 451 Ca -0.43 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.76 2pgg h GLN 451 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2pgg h GLN 451 CO 0.43 0.00 -0.15 1.15 -0.95 0.00 0.00 178.83 179.30 2pgg h THR 452 N 0.00 0.71 -0.19 -0.54 2.02 -1.94 0.55 112.91 113.51 2pgg h THR 452 Ca 0.00 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 2pgg h THR 452 Cb 0.52 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2pgg h THR 452 CO 0.00 0.07 -0.30 -0.50 0.37 0.00 0.00 175.52 175.16 2pgg h TRP 453 N -0.61 0.43 -0.50 3.16 4.06 -1.82 0.21 115.95 120.87 2pgg h TRP 453 Ca -0.04 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 60.76 2pgg h TRP 453 Cb 0.44 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 2pgg h TRP 453 CO -0.01 0.65 0.11 0.00 -3.56 0.00 0.00 178.44 175.63 2pgg h ALA 454 N 1.35 0.67 -0.48 1.49 0.00 -1.25 0.12 119.26 121.16 2pgg h ALA 454 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2pgg h ALA 454 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2pgg h ALA 454 CO 0.05 0.38 0.07 1.15 0.00 0.00 0.00 179.25 180.90 2pgg h THR 455 N 0.70 1.25 0.65 0.00 2.02 -0.54 -0.65 112.91 116.34 2pgg h THR 455 Ca 0.16 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 2pgg h THR 455 Cb 0.36 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2pgg h THR 455 CO 0.00 0.33 -0.31 0.15 0.37 0.00 0.00 175.52 176.07 2pgg h PHE 456 N 0.68 -0.81 -0.61 3.16 3.57 -0.64 0.08 116.94 122.35 2pgg h PHE 456 Ca 0.14 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2pgg h PHE 456 Cb 0.41 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2pgg h PHE 456 CO 0.03 -0.49 0.36 0.00 -2.23 0.00 0.00 178.31 175.98 2pgg h ALA 457 N -0.62 0.80 0.14 2.41 0.00 -0.75 0.31 119.26 121.56 2pgg h ALA 457 Ca -0.09 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 2pgg h ALA 457 Cb 0.69 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pgg h ALA 457 CO 0.15 0.07 -1.74 0.52 0.00 0.00 0.00 179.25 178.25 2pgg h MET 458 N 0.69 0.30 -0.00 0.00 2.86 -1.16 -3.40 114.93 114.23 2pgg h MET 458 Ca 0.26 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2pgg h MET 458 Cb 0.09 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2pgg h MET 458 CO -0.13 1.18 -0.03 0.09 1.06 0.00 0.00 176.91 179.08 2pgg n ASN 459 N -3.49 0.93 0.00 1.22 3.02 -0.02 -4.72 115.26 112.21 2pgg n ASN 459 Ca -0.23 -0.97 -0.01 0.00 -0.03 0.00 0.00 54.58 53.34 2pgg n ASN 459 Cb 1.06 0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 40.49 2pgg n ASN 459 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2pgg n ILE 460 N -0.17 0.67 -0.31 2.41 2.08 -0.08 -4.43 119.36 119.53 2pgg n ILE 460 Ca 0.01 0.24 0.15 0.00 0.56 0.00 0.00 62.75 63.72 2pgg n ILE 460 Cb 0.06 -1.50 0.31 0.00 -0.75 0.00 0.00 39.64 37.77 2pgg n ILE 460 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pgg h ALA 461 N -0.46 1.30 -0.61 -1.39 0.00 -0.73 0.16 119.26 117.53 2pgg h ALA 461 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2pgg h ALA 461 Cb 0.16 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2pgg h ALA 461 CO 0.00 -0.56 0.22 -1.35 0.00 0.00 0.00 179.25 177.56 2pgg h PRO 462 N 0.10 0.90 0.00 0.00 0.11 -1.80 -2.54 132.00 128.78 2pgg h PRO 462 Ca 0.59 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 66.46 2pgg h PRO 462 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2pgg h PRO 462 CO -0.77 0.75 -0.40 0.00 -0.21 0.00 0.00 178.00 177.38 2pgg h ALA 463 N 1.36 0.88 -0.15 -0.75 0.00 -0.99 -2.11 119.26 117.51 2pgg h ALA 463 Ca 0.20 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2pgg h ALA 463 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pgg h ALA 463 CO -0.01 0.50 -0.64 -0.07 0.00 0.00 0.00 179.25 179.02 2pgg h LEU 464 N 0.00 0.62 -1.86 0.00 3.38 -0.80 -3.37 115.31 113.28 2pgg h LEU 464 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2pgg h LEU 464 Cb 1.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2pgg h LEU 464 CO 0.05 1.10 0.00 1.33 0.09 0.00 0.00 178.44 181.01 2pgg n VAL 465 N -3.91 0.39 -4.27 1.22 0.24 -1.10 -4.35 118.33 106.56 2pgg n VAL 465 Ca -0.04 -0.70 -0.25 0.00 -2.04 0.00 0.00 64.34 61.31 2pgg n VAL 465 Cb 0.66 0.85 -0.17 0.00 -1.47 0.00 0.00 33.84 33.71 2pgg n VAL 465 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2pgg s VAL 466 N -0.58 1.03 -1.61 3.34 1.01 -0.79 -0.82 120.40 121.98 2pgg s VAL 466 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2pgg s VAL 466 Cb 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2pgg s VAL 466 CO 0.05 0.35 0.13 0.47 0.00 0.00 0.00 175.10 176.09 2pgg n ASP 467 N 4.30 -5.55 0.00 3.32 8.00 0.47 -4.60 116.55 122.48 2pgg n ASP 467 Ca -0.19 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.27 2pgg n ASP 467 Cb 0.51 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 2pgg n ASP 467 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pgg n SER 468 N -2.08 0.00 -3.40 -2.24 3.41 -1.23 -4.76 113.62 103.32 2pgg n SER 468 Ca -0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 2pgg n SER 468 Cb 0.66 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 2pgg n SER 468 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pgg s SER 469 N -1.00 0.01 0.15 4.04 1.04 -1.15 -1.89 113.70 114.90 2pgg s SER 469 Ca 0.00 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 2pgg s SER 469 Cb 0.00 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 2pgg s SER 469 CO 0.00 -1.47 0.19 0.00 0.98 0.00 0.00 173.24 172.94 2pgg s LEU 471 N -3.01 2.43 -0.06 0.00 2.96 0.13 -0.84 118.68 120.28 2pgg s LEU 471 Ca 0.21 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2pgg s LEU 471 Cb 0.05 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.19 2pgg s LEU 471 CO 0.01 -0.00 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.52 2pgg s ILE 472 N 1.32 0.45 0.00 6.68 1.10 -0.94 -1.90 121.20 127.91 2pgg s ILE 472 Ca 0.04 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.21 2pgg s ILE 472 Cb -0.14 -0.55 0.00 0.00 0.15 0.00 0.00 42.46 41.92 2pgg s ILE 472 CO -0.09 0.25 0.00 0.23 -2.11 0.00 0.00 174.94 173.22 2pgg n MET 473 N 4.75 0.00 -0.07 3.50 2.81 0.21 -1.67 117.12 126.65 2pgg n MET 473 Ca -0.14 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.78 2pgg n MET 473 Cb 0.50 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.08 2pgg n MET 473 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2pgg n ASN 474 N 8.38 2.27 -4.76 7.83 0.23 -1.26 0.10 115.26 128.06 2pgg n ASN 474 Ca 0.00 -1.86 -0.38 0.00 -0.53 0.00 0.00 54.58 51.82 2pgg n ASN 474 Cb 0.00 -0.09 -0.06 0.00 -2.08 0.00 0.00 39.78 37.54 2pgg n ASN 474 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2pgg s LEU 475 N -0.90 4.33 -0.40 -4.53 1.43 -0.67 -4.92 118.68 113.03 2pgg s LEU 475 Ca 0.11 0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 2pgg s LEU 475 Cb 0.06 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2pgg s LEU 475 CO 0.08 0.13 0.28 -1.10 0.23 0.00 0.00 176.35 175.96 2pgg s GLN 476 N 0.05 2.98 0.16 1.70 -0.21 -1.26 -2.21 119.66 120.87 2pgg s GLN 476 Ca 0.23 -1.01 0.08 0.00 0.02 0.00 0.00 55.36 54.69 2pgg s GLN 476 Cb -0.15 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 2pgg s GLN 476 CO 0.10 -0.72 -0.09 0.42 -2.12 0.00 0.00 175.29 172.88 2pgg s ILE 477 N 1.66 3.27 0.50 1.08 -1.09 -0.02 -1.29 121.20 125.30 2pgg s ILE 477 Ca 0.05 -1.54 -0.21 0.00 -2.23 0.00 0.00 60.65 56.71 2pgg s ILE 477 Cb -0.19 -2.60 -0.07 0.00 -1.58 0.00 0.00 42.46 38.03 2pgg s ILE 477 CO 0.09 -0.05 1.17 -0.75 -1.23 0.00 0.00 174.94 174.17 2pgg s LYS 478 N -2.68 3.55 -0.22 2.79 2.47 -0.85 0.87 119.74 125.67 2pgg s LYS 478 Ca 0.24 1.75 -0.01 0.00 -1.56 0.00 0.00 55.97 56.39 2pgg s LYS 478 Cb -0.09 -2.24 0.01 0.00 -1.46 0.00 0.00 37.83 34.05 2pgg s LYS 478 CO 0.15 -0.72 -0.09 0.99 0.16 0.00 0.00 175.35 175.83 2pgg s THR 479 N -1.60 2.79 -0.22 3.43 2.01 -0.79 -4.59 115.64 116.67 2pgg s THR 479 Ca 0.68 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 2pgg s THR 479 Cb -0.28 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2pgg s THR 479 CO 0.33 0.36 0.48 -0.31 -0.69 0.00 0.00 174.62 174.79 2pgg s TYR 480 N 1.36 3.34 0.00 4.92 1.51 -1.26 -3.37 117.35 123.84 2pgg s TYR 480 Ca 0.03 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.77 2pgg s TYR 480 Cb -0.15 -2.65 0.00 0.00 -0.11 0.00 0.00 41.96 39.05 2pgg s TYR 480 CO -0.06 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 2pgg n GLY 481 N 4.08 -1.69 3.86 0.71 0.00 -1.26 -4.42 105.19 106.47 2pgg n GLY 481 Ca -0.06 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 2pgg n GLY 481 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pgg s GLN 482 N 0.00 3.93 -0.51 1.61 -2.07 -0.78 -0.40 119.66 121.44 2pgg s GLN 482 Ca 0.00 0.66 -0.29 0.00 -1.82 0.00 0.00 55.36 53.91 2pgg s GLN 482 Cb 0.00 -2.36 0.03 0.00 -1.09 0.00 0.00 33.01 29.59 2pgg s GLN 482 CO 0.00 0.02 1.19 0.20 -1.32 0.00 0.00 175.29 175.38 2pgg s GLY 483 N -2.70 1.20 -0.48 2.60 0.00 -0.00 -4.59 107.32 103.35 2pgg s GLY 483 Ca 0.54 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 2pgg s GLY 483 CO 0.24 2.50 2.38 -1.26 0.00 0.00 0.00 173.10 176.95 2pgg n SER 484 N 8.22 2.17 0.00 1.64 2.88 -1.26 -1.06 113.62 126.20 2pgg n SER 484 Ca 0.11 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2pgg n SER 484 Cb 0.49 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2pgg n SER 484 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pgg n GLY 485 N 6.15 1.17 3.75 0.46 0.00 -1.26 0.04 105.19 115.50 2pgg n GLY 485 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 2pgg n GLY 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pgg s ASN 486 N -0.34 5.41 0.57 1.61 2.20 -0.22 -4.71 114.94 119.46 2pgg s ASN 486 Ca 0.00 2.60 0.08 0.00 -0.94 0.00 0.00 52.86 54.60 2pgg s ASN 486 Cb 0.00 -2.62 0.45 0.00 -2.00 0.00 0.00 41.25 37.08 2pgg s ASN 486 CO 0.00 -1.46 1.20 0.00 -2.94 0.00 0.00 177.10 173.90 2pgg h ALA 487 N 1.44 1.68 -0.14 3.54 0.00 -1.91 0.98 119.26 124.84 2pgg h ALA 487 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2pgg h ALA 487 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2pgg h ALA 487 CO 0.57 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2pgg n ALA 488 N -1.55 2.62 -0.17 0.00 0.00 -1.26 -4.72 120.51 115.42 2pgg n ALA 488 Ca -0.01 -2.36 -0.01 0.00 0.00 0.00 0.00 53.44 51.06 2pgg n ALA 488 Cb 0.75 -0.54 0.21 0.00 0.00 0.00 0.00 19.45 19.87 2pgg n ALA 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pgg h THR 489 N 0.99 1.21 0.55 0.00 1.03 -1.12 -0.85 112.91 114.71 2pgg h THR 489 Ca 0.00 -0.60 -0.03 0.00 -0.01 0.00 0.00 66.41 65.78 2pgg h THR 489 Cb 1.20 0.39 0.01 0.00 -1.07 0.00 0.00 68.15 68.67 2pgg h THR 489 CO 0.11 0.25 -0.26 0.15 -0.01 0.00 0.00 175.52 175.76 2pgg h PHE 490 N 0.91 -0.69 -0.31 0.00 3.57 -1.84 -1.50 116.94 117.08 2pgg h PHE 490 Ca 0.22 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2pgg h PHE 490 Cb 0.10 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2pgg h PHE 490 CO 0.01 -0.36 -0.04 0.82 -2.23 0.00 0.00 178.31 176.50 2pgg h ILE 491 N -0.93 0.73 -0.95 1.41 2.04 -1.88 0.12 117.51 118.06 2pgg h ILE 491 Ca -0.08 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2pgg h ILE 491 Cb 0.63 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2pgg h ILE 491 CO 0.12 0.01 0.62 0.78 0.00 0.00 0.00 178.15 179.68 2pgg h ASN 492 N 0.04 0.99 -0.25 1.72 2.35 -1.15 0.90 115.58 120.18 2pgg h ASN 492 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 2pgg h ASN 492 Cb 0.22 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pgg h ASN 492 CO -0.29 0.65 -0.45 0.78 -1.65 0.00 0.00 177.43 176.47 2pgg h ASN 493 N 1.13 0.82 -0.73 5.81 -0.26 -0.49 -2.35 115.58 119.50 2pgg h ASN 493 Ca 0.40 -0.53 0.04 0.00 -0.56 0.00 0.00 56.30 55.65 2pgg h ASN 493 Cb 0.13 -0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 37.10 2pgg h ASN 493 CO -0.14 1.20 0.45 -0.74 -1.06 0.00 0.00 177.43 177.14 2pgg h HIS 494 N 0.47 0.83 -0.41 1.19 2.76 -0.20 -1.49 115.15 118.30 2pgg h HIS 494 Ca 0.01 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 2pgg h HIS 494 Cb 1.05 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 2pgg h HIS 494 CO 0.08 0.45 0.14 1.25 -1.30 0.00 0.00 177.93 178.55 2pgg h LEU 495 N 0.85 0.14 -0.19 0.26 7.12 -0.69 -0.53 115.31 122.26 2pgg h LEU 495 Ca 0.31 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.38 2pgg h LEU 495 Cb 0.09 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 2pgg h LEU 495 CO -0.14 0.11 0.09 -0.07 -0.13 0.00 0.00 178.44 178.30 2pgg h LEU 496 N 0.30 0.13 -0.77 2.25 3.38 -0.75 -1.91 115.31 117.93 2pgg h LEU 496 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2pgg h LEU 496 Cb 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2pgg h LEU 496 CO -0.20 0.10 0.45 0.28 0.09 0.00 0.00 178.44 179.15 2pgg h SER 497 N 0.19 0.94 -0.97 -0.43 0.02 -1.07 -2.35 113.55 109.88 2pgg h SER 497 Ca 0.08 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2pgg h SER 497 Cb 0.02 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.25 2pgg h SER 497 CO -0.06 0.74 0.61 0.74 -1.14 0.00 0.00 176.83 177.72 2pgg h THR 498 N 1.05 0.97 -0.13 -2.27 2.02 -0.71 -0.34 112.91 113.51 2pgg h THR 498 Ca 0.27 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2pgg h THR 498 Cb -0.01 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 2pgg h THR 498 CO -0.05 0.19 -0.38 -0.07 0.37 0.00 0.00 175.52 175.58 2pgg h LEU 499 N 1.02 0.28 -0.33 2.58 3.38 -0.82 -1.29 115.31 120.12 2pgg h LEU 499 Ca 0.46 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 2pgg h LEU 499 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pgg h LEU 499 CO -0.23 0.64 -0.84 -0.37 0.09 0.00 0.00 178.44 177.72 2pgg h VAL 500 N 0.23 1.47 -0.45 1.22 -1.51 -0.93 -1.95 116.25 114.34 2pgg h VAL 500 Ca 0.02 -2.51 -0.06 0.00 -1.23 0.00 0.00 66.70 62.92 2pgg h VAL 500 Cb 0.77 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 32.30 2pgg h VAL 500 CO 0.06 0.73 0.02 -0.07 -1.23 0.00 0.00 177.57 177.09 2pgg h LEU 501 N 0.13 0.67 -0.45 4.19 3.38 -0.86 0.13 115.31 122.49 2pgg h LEU 501 Ca -0.04 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2pgg h LEU 501 Cb 1.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2pgg h LEU 501 CO 0.13 0.73 0.06 -0.78 0.09 0.00 0.00 178.44 178.67 2pgg h ASP 502 N 0.67 0.73 0.14 -0.43 -0.00 -0.98 -0.81 116.42 115.74 2pgg h ASP 502 Ca 0.14 -0.27 -0.12 0.00 -0.00 0.00 0.00 57.03 56.78 2pgg h ASP 502 Cb 0.38 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.51 2pgg h ASP 502 CO 0.01 0.81 -0.44 1.56 -0.00 0.00 0.00 179.24 181.18 2pgg h GLN 503 N 0.62 0.37 -0.26 0.28 1.08 -0.92 -2.13 115.11 114.15 2pgg h GLN 503 Ca 0.14 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2pgg h GLN 503 Cb 0.40 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2pgg h GLN 503 CO 0.01 0.75 0.13 2.35 -0.95 0.00 0.00 178.83 181.12 2pgg h TRP 504 N 0.30 0.37 -0.42 2.96 7.01 -0.49 -2.12 115.95 123.56 2pgg h TRP 504 Ca 0.02 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2pgg h TRP 504 Cb 0.91 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 2pgg h TRP 504 CO 0.02 0.34 0.25 -0.91 -2.79 0.00 0.00 178.44 175.36 2pgg h ASN 505 N 0.29 0.40 0.33 2.65 2.35 -0.95 0.53 115.58 121.18 2pgg h ASN 505 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2pgg h ASN 505 Cb 0.11 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2pgg h ASN 505 CO -0.01 0.29 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.96 2pgg h LEU 506 N 0.50 0.00 -1.60 1.61 3.38 -1.13 -0.03 115.31 118.04 2pgg h LEU 506 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2pgg h LEU 506 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pgg h LEU 506 CO -0.08 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.71 2pgg n MET 507 N -3.27 2.04 -2.30 1.13 2.81 -0.80 -4.91 117.12 111.82 2pgg n MET 507 Ca -0.02 -1.57 -0.05 0.00 -1.81 0.00 0.00 57.70 54.24 2pgg n MET 507 Cb 0.17 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2pgg n MET 507 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2pgg n ARG 508 N 0.79 -0.87 -3.47 0.03 1.74 -0.03 -4.36 116.66 110.49 2pgg n ARG 508 Ca 0.17 0.23 -0.17 0.00 -0.77 0.00 0.00 57.85 57.31 2pgg n ARG 508 Cb 0.42 -3.81 0.02 0.00 -1.02 0.00 0.00 32.46 28.07 2pgg n ARG 508 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pgg n GLN 509 N -1.52 -1.39 -0.98 5.56 6.02 0.11 -4.98 117.38 120.20 2pgg n GLN 509 Ca -0.04 0.94 -0.30 0.00 -0.01 0.00 0.00 57.00 57.59 2pgg n GLN 509 Cb 0.54 -4.24 0.17 0.00 1.02 0.00 0.00 30.24 27.73 2pgg n GLN 509 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2pgg s PRO 510 N -4.53 0.70 0.13 -1.09 0.02 -1.26 -4.95 135.00 124.02 2pgg s PRO 510 Ca 0.16 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 2pgg s PRO 510 Cb -0.05 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 2pgg s PRO 510 CO 0.83 -2.65 1.15 0.50 -0.33 0.00 0.00 177.00 176.50 2pgg s ARG 511 N -4.79 4.51 0.56 5.54 3.52 -1.26 -4.89 118.95 122.15 2pgg s ARG 511 Ca 0.65 1.75 0.39 0.00 -0.13 0.00 0.00 55.73 58.40 2pgg s ARG 511 Cb -0.20 -3.31 1.54 0.00 -1.56 0.00 0.00 34.95 31.42 2pgg s ARG 511 CO 0.59 -0.09 1.69 -1.35 -0.81 0.00 0.00 175.30 175.33 2pgg h PRO 512 N 5.86 0.00 -0.00 5.12 0.11 -1.97 0.17 132.00 141.29 2pgg h PRO 512 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pgg h PRO 512 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pgg h PRO 512 CO 0.76 0.00 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.28 2pgg n ASP 513 N -3.96 0.26 -4.87 -2.05 8.00 -1.26 -4.62 116.55 108.04 2pgg n ASP 513 Ca 0.30 -0.78 -0.30 0.00 0.71 0.00 0.00 54.79 54.71 2pgg n ASP 513 Cb 1.47 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 42.47 2pgg n ASP 513 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pgg s SER 514 N -2.22 6.48 0.34 -2.24 1.04 0.61 -4.96 113.70 112.74 2pgg s SER 514 Ca 0.39 1.21 0.02 0.00 0.48 0.00 0.00 55.95 58.05 2pgg s SER 514 Cb 0.21 -2.36 0.60 0.00 0.10 0.00 0.00 66.02 64.57 2pgg s SER 514 CO 0.41 -0.51 1.98 -0.33 0.98 0.00 0.00 173.24 175.77 2pgg h GLU 515 N 0.89 0.82 -0.43 4.02 5.08 -1.91 -1.97 114.58 121.09 2pgg h GLU 515 Ca -0.47 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2pgg h GLU 515 Cb 1.19 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2pgg h GLU 515 CO 0.63 0.58 0.20 0.93 -1.00 0.00 0.00 179.01 180.35 2pgg h GLU 516 N 0.84 0.39 -0.42 2.33 5.08 -1.93 0.43 114.58 121.30 2pgg h GLU 516 Ca 0.22 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2pgg h GLU 516 Cb -0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2pgg h GLU 516 CO -0.04 0.26 0.02 0.35 -1.00 0.00 0.00 179.01 178.60 2pgg h PHE 517 N 0.40 0.79 -0.41 4.33 3.57 -1.64 -2.84 116.94 121.13 2pgg h PHE 517 Ca 0.19 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2pgg h PHE 517 Cb 0.11 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2pgg h PHE 517 CO -0.11 0.78 0.21 -0.22 -2.23 0.00 0.00 178.31 176.73 2pgg h LYS 518 N 0.57 0.57 -0.00 1.11 3.11 -0.89 -1.87 116.57 119.16 2pgg h LYS 518 Ca 0.12 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2pgg h LYS 518 Cb 0.45 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2pgg h LYS 518 CO 0.02 0.44 0.10 0.66 -2.81 0.00 0.00 179.45 177.86 2pgg h SER 519 N 0.58 0.00 -0.20 4.20 4.64 -0.67 0.67 113.55 122.77 2pgg h SER 519 Ca 0.15 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 2pgg h SER 519 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2pgg h SER 519 CO -0.02 0.00 0.14 0.40 -0.87 0.00 0.00 176.83 176.48 2pgg h ILE 520 N 0.00 0.94 0.13 0.95 2.04 -1.42 -2.38 117.51 117.77 2pgg h ILE 520 Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2pgg h ILE 520 Cb 0.21 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2pgg h ILE 520 CO -0.00 0.01 -0.26 -0.33 0.00 0.00 0.00 178.15 177.57 2pgg h GLU 521 N 0.07 -0.45 0.00 2.37 5.08 -1.04 -1.92 114.58 118.68 2pgg h GLU 521 Ca 0.09 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2pgg h GLU 521 Cb 0.27 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2pgg h GLU 521 CO -0.01 -0.30 -0.18 0.22 -1.00 0.00 0.00 179.01 177.74 2pgg h ASP 522 N -0.47 0.00 0.26 1.42 3.58 -1.61 0.38 116.42 119.99 2pgg h ASP 522 Ca 0.03 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.28 2pgg h ASP 522 Cb 0.49 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2pgg h ASP 522 CO -0.14 0.18 -0.79 0.11 -2.88 0.00 0.00 179.24 175.71 2pgg h LYS 523 N 0.00 0.42 0.00 0.28 1.57 -1.15 -3.33 116.57 114.36 2pgg h LYS 523 Ca -0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2pgg h LYS 523 Cb 0.40 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2pgg h LYS 523 CO 0.02 1.02 -0.63 1.28 -0.57 0.00 0.00 179.45 180.57 2pgg n LEU 524 N -3.81 0.59 -0.60 2.94 4.77 -0.77 -4.97 117.00 115.15 2pgg n LEU 524 Ca -0.05 -0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2pgg n LEU 524 Cb 0.75 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2pgg n LEU 524 CO 0.49 0.15 -0.07 0.61 -1.33 0.00 0.00 177.39 177.24 2pgg n GLY 525 N 1.31 0.97 3.43 -0.72 0.00 0.13 -3.80 105.19 106.52 2pgg n GLY 525 Ca 0.02 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2pgg n GLY 525 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pgg s ILE 526 N -2.25 3.95 0.25 -0.61 1.01 -1.09 -3.88 121.20 118.58 2pgg s ILE 526 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 2pgg s ILE 526 Cb 0.00 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 2pgg s ILE 526 CO 0.00 0.41 0.72 0.20 0.00 0.00 0.00 174.94 176.28 2pgg s ASN 527 N 1.14 6.96 0.24 3.58 0.02 -1.26 -4.29 114.94 121.33 2pgg s ASN 527 Ca 0.03 1.36 -0.20 0.00 -1.02 0.00 0.00 52.86 53.03 2pgg s ASN 527 Cb -0.14 -2.40 0.03 0.00 0.02 0.00 0.00 41.25 38.75 2pgg s ASN 527 CO 0.01 -0.04 0.64 0.72 0.02 0.00 0.00 177.10 178.46 2pgg s PHE 528 N -1.67 -0.18 0.06 2.20 -0.12 -1.26 -0.44 117.98 116.57 2pgg s PHE 528 Ca 0.46 -0.21 -0.25 0.00 -0.05 0.00 0.00 56.93 56.88 2pgg s PHE 528 Cb -0.15 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 42.89 2pgg s PHE 528 CO 0.20 -1.10 0.60 -1.59 -0.05 0.00 0.00 175.22 173.28 2pgg s LYS 529 N -3.89 1.14 -0.31 1.99 -2.85 0.91 -4.68 119.74 112.05 2pgg s LYS 529 Ca 0.10 -0.19 -0.23 0.00 -1.00 0.00 0.00 55.97 54.65 2pgg s LYS 529 Cb -0.04 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2pgg s LYS 529 CO 0.02 -0.44 0.79 0.42 0.10 0.00 0.00 175.35 176.25 2pgg s ILE 530 N -2.61 4.79 -0.17 3.79 1.01 -1.26 -0.85 121.20 125.89 2pgg s ILE 530 Ca -0.04 1.17 0.21 0.00 0.00 0.00 0.00 60.65 61.98 2pgg s ILE 530 Cb -0.01 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 2pgg s ILE 530 CO -0.03 -0.26 0.87 -1.84 0.00 0.00 0.00 174.94 173.68 2pgg n GLU 531 N 6.22 0.62 -3.71 2.79 -0.00 -0.67 -4.95 120.64 120.95 2pgg n GLU 531 Ca 0.04 0.11 -0.14 0.00 -0.00 0.00 0.00 57.16 57.17 2pgg n GLU 531 Cb 0.48 -1.77 -0.09 0.00 -0.00 0.00 0.00 31.44 30.06 2pgg n GLU 531 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2pgg s ARG 532 N -3.23 0.59 -0.02 3.44 3.52 -1.14 -5.02 118.95 117.08 2pgg s ARG 532 Ca -0.03 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 2pgg s ARG 532 Cb 0.10 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 2pgg s ARG 532 CO 0.81 -0.09 -0.04 0.45 -0.81 0.00 0.00 175.30 175.62 2pgg s SER 533 N -0.01 0.69 -0.20 -2.12 0.15 -1.26 -0.67 113.70 110.28 2pgg s SER 533 Ca -0.02 -0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 2pgg s SER 533 Cb -0.03 -0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.09 2pgg s SER 533 CO 0.02 -0.02 0.04 -0.63 1.20 0.00 0.00 173.24 173.85 2pgg s ILE 534 N 0.52 0.51 0.63 6.45 1.01 -0.03 -4.97 121.20 125.32 2pgg s ILE 534 Ca -0.06 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 2pgg s ILE 534 Cb -0.10 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2pgg s ILE 534 CO -0.00 -0.26 1.05 -1.81 0.00 0.00 0.00 174.94 173.91 2pgg s ASP 535 N 1.86 5.78 -1.37 3.58 1.01 -1.26 -0.94 116.67 125.33 2pgg s ASP 535 Ca 0.00 1.63 -0.07 0.00 0.71 0.00 0.00 52.55 54.83 2pgg s ASP 535 Cb -0.17 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2pgg s ASP 535 CO -0.10 -1.17 0.43 -0.67 0.21 0.00 0.00 175.17 173.86 2pgg n ASP 536 N -2.59 -1.25 -0.21 0.27 2.03 -0.73 -4.85 116.55 109.22 2pgg n ASP 536 Ca 0.07 -1.09 -0.09 0.00 0.52 0.00 0.00 54.79 54.21 2pgg n ASP 536 Cb 0.53 -2.70 0.03 0.00 -0.72 0.00 0.00 41.12 38.26 2pgg n ASP 536 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2pgg h ILE 537 N -1.92 1.27 -0.25 5.18 2.10 -1.38 -1.90 117.51 120.60 2pgg h ILE 537 Ca -0.65 -1.13 -0.01 0.00 1.08 0.00 0.00 64.86 64.15 2pgg h ILE 537 Cb 1.38 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 2pgg h ILE 537 CO 0.61 0.41 0.14 0.03 -1.08 0.00 0.00 178.15 178.26 2pgg h ARG 538 N 0.97 0.35 -0.28 2.19 3.08 -1.90 -0.17 114.38 118.61 2pgg h ARG 538 Ca 0.17 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2pgg h ARG 538 Cb 0.54 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 2pgg h ARG 538 CO 0.03 0.32 -0.02 0.78 -1.07 0.00 0.00 179.97 180.00 2pgg h GLY 539 N 0.29 0.26 1.47 0.04 0.00 -1.91 -0.65 103.07 102.56 2pgg h GLY 539 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 2pgg h GLY 539 CO -0.01 -0.07 0.03 0.50 0.00 0.00 0.00 176.54 176.99 2pgg h LYS 540 N 0.06 0.67 -0.51 4.80 1.57 -1.14 -1.45 116.57 120.57 2pgg h LYS 540 Ca 0.14 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2pgg h LYS 540 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2pgg h LYS 540 CO -0.25 0.66 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.09 2pgg h LEU 541 N 0.64 0.99 -0.71 2.94 3.38 -0.42 -2.90 115.31 119.22 2pgg h LEU 541 Ca 0.13 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2pgg h LEU 541 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pgg h LEU 541 CO 0.01 1.12 -0.19 0.03 0.09 0.00 0.00 178.44 179.51 2pgg h ARG 542 N 0.87 0.80 0.00 1.13 3.08 -0.82 -2.72 114.38 116.71 2pgg h ARG 542 Ca 0.13 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2pgg h ARG 542 Cb 0.70 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2pgg h ARG 542 CO 0.05 0.92 -0.02 0.37 -1.07 0.00 0.00 179.97 180.22 2pgg h GLN 543 N 0.70 0.00 -0.26 0.04 4.15 -1.08 -1.13 115.11 117.53 2pgg h GLN 543 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 2pgg h GLN 543 Cb 0.69 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2pgg h GLN 543 CO 0.05 0.02 0.02 -0.07 -1.93 0.00 0.00 178.83 176.93 2pgg h LEU 544 N 0.00 0.35 -0.04 -2.39 3.38 -1.32 -0.59 115.31 114.70 2pgg h LEU 544 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2pgg h LEU 544 Cb 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pgg h LEU 544 CO 0.00 0.40 -0.02 0.58 0.09 0.00 0.00 178.44 179.50 2pgg h VAL 545 N 0.38 1.32 -0.77 1.22 2.07 -1.34 -2.02 116.25 117.10 2pgg h VAL 545 Ca 0.09 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2pgg h VAL 545 Cb 0.22 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2pgg h VAL 545 CO 0.00 0.26 0.42 0.25 0.02 0.00 0.00 177.57 178.53 2pgg h LEU 546 N -0.29 0.96 -3.08 2.57 5.85 -1.46 -3.25 115.31 116.62 2pgg h LEU 546 Ca 0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2pgg h LEU 546 Cb 0.43 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2pgg h LEU 546 CO 0.01 0.78 0.00 0.18 -0.34 0.00 0.00 178.44 179.07 2pgg n LEU 547 N -4.44 4.36 -4.68 2.25 4.77 -0.26 -4.99 117.00 114.01 2pgg n LEU 547 Ca 0.07 -2.39 -0.44 0.00 -0.03 0.00 0.00 56.01 53.21 2pgg n LEU 547 Cb 0.09 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2pgg n LEU 547 CO 0.38 0.81 1.08 0.00 -1.33 0.00 0.00 177.39 178.34 2pgg n ALA 548 N 0.95 1.41 -2.83 -1.18 0.00 -0.76 -4.55 120.51 113.55 2pgg n ALA 548 Ca 0.23 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.85 2pgg n ALA 548 Cb 0.80 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2pgg n ALA 548 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2pgg s GLN 549 N -0.19 3.47 0.38 0.00 -1.52 -1.26 -5.02 119.66 115.51 2pgg s GLN 549 Ca 0.69 -0.54 -0.27 0.00 -1.95 0.00 0.00 55.36 53.30 2pgg s GLN 549 Cb -0.63 -2.81 -0.09 0.00 -0.22 0.00 0.00 33.01 29.26 2pgg s GLN 549 CO 0.47 0.34 1.29 -1.25 -0.25 0.00 0.00 175.29 175.89 2pgg s PRO 550 N -3.93 4.09 0.00 2.91 0.04 -1.26 -4.68 135.00 132.17 2pgg s PRO 550 Ca 0.37 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2pgg s PRO 550 Cb -0.10 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2pgg s PRO 550 CO 0.31 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2pgg n GLY 551 N 0.70 1.76 0.27 0.56 0.00 -0.46 -4.52 105.19 103.50 2pgg n GLY 551 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.48 2pgg n GLY 551 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2pgg h TYR 552 N 0.00 0.35 -0.48 1.61 -1.99 -1.60 -0.44 116.97 114.42 2pgg h TYR 552 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2pgg h TYR 552 Cb 0.00 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 38.62 2pgg h TYR 552 CO 0.00 0.33 0.00 1.28 -0.00 0.00 0.00 178.16 179.77 2pgg n LEU 553 N -4.37 3.59 -3.26 3.88 4.77 -1.26 -3.67 117.00 116.68 2pgg n LEU 553 Ca 0.00 -2.19 -0.21 0.00 -0.03 0.00 0.00 56.01 53.58 2pgg n LEU 553 Cb 0.18 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2pgg n LEU 553 CO 0.37 0.80 -0.21 -0.44 -1.33 0.00 0.00 177.39 176.58 2pgg s SER 554 N -1.09 0.87 0.00 -1.43 0.01 -1.03 -0.93 113.70 110.09 2pgg s SER 554 Ca 0.36 -2.56 0.00 0.00 1.31 0.00 0.00 55.95 55.06 2pgg s SER 554 Cb 0.21 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2pgg s SER 554 CO 0.21 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2pgg n GLY 555 N 3.10 1.00 3.30 3.44 0.00 -1.25 -1.36 105.19 113.42 2pgg n GLY 555 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 2pgg n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgg n GLY 556 N -1.33 -0.34 3.30 -0.02 0.00 -0.74 -4.96 105.19 101.09 2pgg n GLY 556 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2pgg n GLY 556 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pgg s VAL 557 N -3.29 1.45 0.13 1.61 -7.23 -0.25 -4.87 120.40 107.95 2pgg s VAL 557 Ca 0.41 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.14 2pgg s VAL 557 Cb -0.18 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 2pgg s VAL 557 CO 0.64 -0.67 1.60 -0.70 -0.31 0.00 0.00 175.10 175.67 2pgg s GLU 558 N -3.67 4.21 0.60 4.82 2.12 -1.26 -1.59 118.70 123.93 2pgg s GLU 558 Ca 0.19 2.35 -0.18 0.00 0.36 0.00 0.00 54.97 57.70 2pgg s GLU 558 Cb 0.01 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2pgg s GLU 558 CO 0.04 -0.66 1.18 -1.25 -0.54 0.00 0.00 175.26 174.03 2pgg s PRO 559 N 1.72 2.97 0.00 4.30 0.04 -1.26 -4.83 135.00 137.94 2pgg s PRO 559 Ca 0.72 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2pgg s PRO 559 Cb -0.42 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2pgg s PRO 559 CO 0.32 -1.18 0.00 0.39 0.04 0.00 0.00 177.00 176.57 2pgg n GLU 560 N -1.71 2.45 -3.85 4.56 1.02 -1.26 -4.71 120.64 117.15 2pgg n GLU 560 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2pgg n GLU 560 Cb 0.50 -0.75 -0.14 0.00 -0.02 0.00 0.00 31.44 31.03 2pgg n GLU 560 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2pgg s GLN 561 N -1.35 0.06 0.27 3.49 0.74 -1.26 -4.87 119.66 116.73 2pgg s GLN 561 Ca 0.00 0.09 -0.29 0.00 0.05 0.00 0.00 55.36 55.20 2pgg s GLN 561 Cb 0.00 0.01 -0.10 0.00 1.10 0.00 0.00 33.01 34.02 2pgg s GLN 561 CO 0.00 -0.02 1.23 -1.54 -0.55 0.00 0.00 175.29 174.41 2pgg s SER 562 N 0.12 6.98 0.18 6.67 1.04 -1.26 -4.81 113.70 122.63 2pgg s SER 562 Ca -0.01 2.45 -0.29 0.00 0.48 0.00 0.00 55.95 58.58 2pgg s SER 562 Cb -0.01 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 2pgg s SER 562 CO -0.00 -0.39 0.91 -0.55 0.98 0.00 0.00 173.24 174.18 2pgg s SER 563 N -0.36 7.55 0.82 7.02 0.15 -1.25 -4.85 113.70 122.77 2pgg s SER 563 Ca 0.50 1.83 -0.14 0.00 0.70 0.00 0.00 55.95 58.84 2pgg s SER 563 Cb -0.36 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.41 2pgg s SER 563 CO 0.44 0.10 0.81 -0.81 1.20 0.00 0.00 173.24 174.98 2pgg n PRO 564 N 1.93 0.07 -4.17 5.44 -0.04 -1.26 -4.94 135.00 132.03 2pgg n PRO 564 Ca -0.01 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2pgg n PRO 564 Cb 0.48 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 2pgg n PRO 564 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2pgg s THR 565 N -2.15 0.00 -0.20 0.52 -4.23 -1.26 -4.54 115.64 103.78 2pgg s THR 565 Ca 0.67 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2pgg s THR 565 Cb -0.29 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.13 2pgg s THR 565 CO 0.57 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.85 2pgg s VAL 566 N -3.91 1.66 -1.37 2.29 1.01 -0.23 -4.96 120.40 114.89 2pgg s VAL 566 Ca 0.36 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2pgg s VAL 566 Cb 0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 2pgg s VAL 566 CO 0.15 0.20 2.28 -0.62 0.00 0.00 0.00 175.10 177.11 2pgg n GLU 567 N 4.68 2.75 -0.35 2.72 -0.58 -1.26 -1.57 120.64 127.03 2pgg n GLU 567 Ca -0.15 -2.41 0.01 0.00 -0.42 0.00 0.00 57.16 54.19 2pgg n GLU 567 Cb 0.47 -3.15 0.17 0.00 -0.57 0.00 0.00 31.44 28.36 2pgg n GLU 567 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2pgg h LEU 568 N 10.08 1.05 -1.27 -4.62 4.07 -1.93 -3.47 115.31 119.23 2pgg h LEU 568 Ca 0.59 -0.01 -0.32 0.00 0.08 0.00 0.00 57.88 58.22 2pgg h LEU 568 Cb 0.58 -0.24 0.14 0.00 1.08 0.00 0.00 40.66 42.22 2pgg h LEU 568 CO 1.87 0.71 -0.64 -0.67 -1.08 0.00 0.00 178.44 178.64 2pgg n ASP 569 N -4.45 -4.00 -4.55 -0.43 2.03 -0.61 -4.87 116.55 99.66 2pgg n ASP 569 Ca 0.14 -0.51 -0.41 0.00 0.52 0.00 0.00 54.79 54.52 2pgg n ASP 569 Cb 0.11 -4.55 -0.03 0.00 -0.72 0.00 0.00 41.12 35.94 2pgg n ASP 569 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2pgg s LEU 570 N -6.23 3.20 -1.47 -2.67 2.96 -0.41 -3.45 118.68 110.62 2pgg s LEU 570 Ca 0.27 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 2pgg s LEU 570 Cb -0.12 -2.64 0.10 0.00 0.50 0.00 0.00 46.19 44.03 2pgg s LEU 570 CO 0.65 -1.82 0.71 0.18 -1.32 0.00 0.00 176.35 174.75 2pgg n LEU 571 N 9.44 -1.92 0.00 -0.68 4.77 -1.26 -0.49 117.00 126.86 2pgg n LEU 571 Ca 0.05 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2pgg n LEU 571 Cb 0.49 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 2pgg n LEU 571 CO 0.71 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2pgg n GLY 572 N -1.39 0.71 3.64 -0.72 0.00 -1.22 -5.07 105.19 101.13 2pgg n GLY 572 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2pgg n GLY 572 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pgg s TRP 573 N -2.68 2.93 0.41 1.61 0.52 0.36 -1.41 118.94 120.67 2pgg s TRP 573 Ca 0.00 -0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.17 2pgg s TRP 573 Cb 0.00 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.73 2pgg s TRP 573 CO 0.00 0.43 0.38 -1.12 0.02 0.00 0.00 176.95 176.66 2pgg s SER 574 N -1.86 5.10 0.03 2.95 0.01 0.18 -1.28 113.70 118.83 2pgg s SER 574 Ca 0.21 -0.70 0.09 0.00 1.31 0.00 0.00 55.95 56.86 2pgg s SER 574 Cb -0.11 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 2pgg s SER 574 CO 0.13 -0.63 -0.26 0.00 0.41 0.00 0.00 173.24 172.89 2pgg s ALA 575 N -2.45 2.21 0.08 1.44 0.00 -0.61 -1.89 121.76 120.54 2pgg s ALA 575 Ca 0.48 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 2pgg s ALA 575 Cb -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2pgg s ALA 575 CO 0.28 0.53 0.26 -0.08 0.00 0.00 0.00 175.76 176.75 2pgg s THR 576 N -0.75 0.11 -0.12 0.00 -1.32 -0.83 -1.07 115.64 111.65 2pgg s THR 576 Ca 0.11 -0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 59.62 2pgg s THR 576 Cb -0.10 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2pgg s THR 576 CO 0.01 -0.50 0.13 -0.47 -2.21 0.00 0.00 174.62 171.59 2pgg s TYR 577 N -3.42 3.57 -0.26 9.09 5.04 -1.26 -0.52 117.35 129.58 2pgg s TYR 577 Ca 0.01 0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 2pgg s TYR 577 Cb 0.02 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 2pgg s TYR 577 CO -0.09 0.69 0.07 0.45 -1.34 0.00 0.00 175.55 175.33 2pgg s SER 578 N -0.91 5.10 0.22 4.32 0.15 -0.23 -4.86 113.70 117.49 2pgg s SER 578 Ca 0.14 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.50 2pgg s SER 578 Cb -0.12 -1.91 0.18 0.00 -1.71 0.00 0.00 66.02 62.46 2pgg s SER 578 CO 0.03 -0.08 1.51 0.11 1.20 0.00 0.00 173.24 176.01 2pgg h LYS 579 N 8.24 0.15 -0.30 5.44 1.57 -1.69 0.11 116.57 130.08 2pgg h LYS 579 Ca -0.37 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 2pgg h LYS 579 Cb 1.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2pgg h LYS 579 CO 0.59 0.79 -0.20 -0.44 -0.57 0.00 0.00 179.45 179.62 2pgg h ASP 580 N 0.10 0.56 0.00 0.86 3.32 -1.41 -3.26 116.42 116.60 2pgg h ASP 580 Ca -0.02 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2pgg h ASP 580 Cb 1.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2pgg h ASP 580 CO 0.10 0.77 -1.30 0.18 -1.72 0.00 0.00 179.24 177.27 2pgg n LEU 581 N -4.14 0.36 -0.13 1.55 4.77 -1.22 -5.00 117.00 113.20 2pgg n LEU 581 Ca 0.00 -0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 55.73 2pgg n LEU 581 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2pgg n LEU 581 CO 0.42 0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 177.17 2pgg n GLY 582 N 1.47 0.51 3.33 -0.72 0.00 0.36 -5.01 105.19 105.13 2pgg n GLY 582 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 2pgg n GLY 582 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pgg s ILE 583 N -1.90 0.75 0.37 -0.61 -4.36 -1.19 -4.95 121.20 109.31 2pgg s ILE 583 Ca 0.00 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.14 2pgg s ILE 583 Cb 0.00 -2.53 -0.10 0.00 1.25 0.00 0.00 42.46 41.08 2pgg s ILE 583 CO 0.00 -0.13 0.97 -0.31 0.24 0.00 0.00 174.94 175.71 2pgg s TYR 584 N -3.62 3.50 0.20 1.37 1.51 -1.26 -1.06 117.35 117.99 2pgg s TYR 584 Ca 0.34 1.71 0.05 0.00 -1.01 0.00 0.00 57.07 58.16 2pgg s TYR 584 Cb 0.07 -2.94 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 2pgg s TYR 584 CO 0.12 -0.04 -0.08 0.14 -1.11 0.00 0.00 175.55 174.57 2pgg s VAL 585 N -1.78 1.34 0.33 0.71 -7.23 0.33 -3.78 120.40 110.32 2pgg s VAL 585 Ca 0.55 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 2pgg s VAL 585 Cb -0.17 -2.10 -0.07 0.00 0.56 0.00 0.00 36.38 34.60 2pgg s VAL 585 CO 0.21 -0.54 0.70 -2.16 -0.31 0.00 0.00 175.10 173.00 2pgg s PRO 586 N -3.75 3.86 -0.02 4.82 0.04 -1.26 -1.98 135.00 136.71 2pgg s PRO 586 Ca 0.23 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2pgg s PRO 586 Cb 0.03 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2pgg s PRO 586 CO 0.06 0.12 0.01 0.08 0.04 0.00 0.00 177.00 177.31 2pgg s VAL 587 N -2.10 0.10 0.36 -0.36 1.01 -0.79 -4.89 120.40 113.73 2pgg s VAL 587 Ca 0.51 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 2pgg s VAL 587 Cb -0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 36.38 35.98 2pgg s VAL 587 CO 0.24 0.11 1.52 -0.22 0.00 0.00 0.00 175.10 176.75 2pgg s LEU 588 N 0.85 4.32 -0.03 3.92 2.96 -0.67 0.50 118.68 130.53 2pgg s LEU 588 Ca -0.08 3.04 -0.40 0.00 -0.22 0.00 0.00 54.13 56.47 2pgg s LEU 588 Cb -0.11 -3.66 -0.19 0.00 0.50 0.00 0.00 46.19 42.73 2pgg s LEU 588 CO -0.02 -0.90 1.25 -0.67 -1.32 0.00 0.00 176.35 174.69 2pgg n ASP 589 N 0.90 0.78 -0.18 3.68 -0.08 -0.50 -4.68 116.55 116.46 2pgg n ASP 589 Ca 0.03 1.14 -0.04 0.00 -1.51 0.00 0.00 54.79 54.41 2pgg n ASP 589 Cb 0.39 -1.02 0.02 0.00 2.34 0.00 0.00 41.12 42.85 2pgg n ASP 589 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2pgg h LYS 590 N 3.93 -0.12 -0.66 -0.67 3.64 -1.91 0.06 116.57 120.85 2pgg h LYS 590 Ca -0.49 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2pgg h LYS 590 Cb 1.39 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 2pgg h LYS 590 CO 0.74 -0.08 0.25 0.93 -2.27 0.00 0.00 179.45 179.03 2pgg h GLU 591 N -0.12 0.97 -0.30 1.90 5.08 -1.99 -1.81 114.58 118.32 2pgg h GLU 591 Ca 0.24 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2pgg h GLU 591 Cb 0.51 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2pgg h GLU 591 CO -0.62 0.80 -0.47 0.00 -1.00 0.00 0.00 179.01 177.72 2pgg h ARG 592 N 0.95 0.79 -0.12 2.33 3.08 -1.71 -1.10 114.38 118.61 2pgg h ARG 592 Ca 0.22 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2pgg h ARG 592 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2pgg h ARG 592 CO -0.02 1.08 0.07 1.25 -1.07 0.00 0.00 179.97 181.28 2pgg h LEU 593 N 0.63 0.14 -0.66 3.04 5.85 -0.69 -1.36 115.31 122.26 2pgg h LEU 593 Ca 0.03 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2pgg h LEU 593 Cb 1.04 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2pgg h LEU 593 CO 0.10 0.15 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.98 2pgg h PHE 594 N 0.12 0.00 -0.21 1.25 -1.00 -1.34 -1.49 116.94 114.27 2pgg h PHE 594 Ca 0.04 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.68 2pgg h PHE 594 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2pgg h PHE 594 CO -0.05 0.11 -0.41 0.00 -1.61 0.00 0.00 178.31 176.34 2pgg h SER 596 N 0.34 0.95 -0.71 0.00 0.02 -1.12 -2.90 113.55 110.13 2pgg h SER 596 Ca 0.01 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2pgg h SER 596 Cb 1.02 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 2pgg h SER 596 CO 0.09 1.25 0.46 0.00 -1.14 0.00 0.00 176.83 177.49 2pgg h ALA 597 N 0.73 1.46 -0.46 3.77 0.00 -1.27 -2.59 119.26 120.90 2pgg h ALA 597 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2pgg h ALA 597 Cb 1.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2pgg h ALA 597 CO 0.10 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 2pgg h ALA 598 N 1.53 0.99 -2.89 0.00 0.00 -1.21 -3.40 119.26 114.28 2pgg h ALA 598 Ca 0.26 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 2pgg h ALA 598 Cb -0.08 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.13 2pgg h ALA 598 CO -0.05 0.60 -0.77 0.71 0.00 0.00 0.00 179.25 179.74 2pgg s TYR 599 N -4.84 1.65 0.75 0.00 1.51 -0.98 -0.65 117.35 114.80 2pgg s TYR 599 Ca -0.10 -2.21 -0.15 0.00 -1.01 0.00 0.00 57.07 53.60 2pgg s TYR 599 Cb 0.14 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2pgg s TYR 599 CO 0.82 -0.80 0.79 -2.30 -1.11 0.00 0.00 175.55 172.96 2pgg n PRO 600 N 3.68 0.32 -1.30 -1.71 -0.02 -1.22 -4.81 135.00 129.93 2pgg n PRO 600 Ca 0.09 0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.58 2pgg n PRO 600 Cb 0.35 -2.07 0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2pgg n PRO 600 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pgg n LYS 601 N -1.62 -0.46 0.00 -0.52 5.02 -1.26 -4.92 118.16 114.40 2pgg n LYS 601 Ca 0.11 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 2pgg n LYS 601 Cb 0.50 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 2pgg n LYS 601 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pgg n GLY 602 N 0.14 0.00 0.00 0.72 0.00 -1.26 -5.10 105.19 99.68 2pgg n GLY 602 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2pgg n GLY 602 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pgg n VAL 612 N -1.17 0.00 -0.81 1.61 3.14 -1.26 -5.18 118.33 114.66 2pgg n VAL 612 Ca 0.00 0.45 -0.11 0.00 -2.96 0.00 0.00 64.34 61.72 2pgg n VAL 612 Cb 0.00 -0.73 -0.01 0.00 -1.06 0.00 0.00 33.84 32.05 2pgg n VAL 612 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pgg n GLY 613 N -0.50 3.41 0.37 7.55 0.00 -1.26 -4.52 105.19 110.25 2pgg n GLY 613 Ca 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.35 2pgg n GLY 613 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pgg h ILE 614 N 1.20 0.87 -0.63 -0.61 1.08 -2.04 -1.84 117.51 115.53 2pgg h ILE 614 Ca 0.18 -0.29 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 2pgg h ILE 614 Cb 0.99 -0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.62 2pgg h ILE 614 CO 0.43 0.15 0.21 -0.33 -0.69 0.00 0.00 178.15 177.93 2pgg h GLU 615 N 0.84 0.36 -0.58 2.37 3.07 -2.01 -0.78 114.58 117.85 2pgg h GLU 615 Ca 0.48 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.21 2pgg h GLU 615 Cb 0.62 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2pgg h GLU 615 CO -0.24 0.24 -0.04 1.96 -1.40 0.00 0.00 179.01 179.53 2pgg h GLN 616 N 0.38 1.05 -0.66 2.33 1.08 -1.72 -2.57 115.11 115.00 2pgg h GLN 616 Ca 0.33 -0.36 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2pgg h GLN 616 Cb 0.45 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2pgg h GLN 616 CO -0.35 1.05 0.43 0.00 -0.95 0.00 0.00 178.83 179.01 2pgg h ALA 617 N 0.96 0.83 -0.10 3.87 0.00 -1.01 -2.18 119.26 121.63 2pgg h ALA 617 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2pgg h ALA 617 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pgg h ALA 617 CO 0.04 0.27 -0.23 1.88 0.00 0.00 0.00 179.25 181.21 2pgg h TYR 618 N 0.89 0.18 -0.02 0.00 -1.99 -1.03 -2.22 116.97 112.78 2pgg h TYR 618 Ca 0.24 -0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 2pgg h TYR 618 Cb -0.10 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 2pgg h TYR 618 CO -0.03 0.39 -0.31 0.87 -0.00 0.00 0.00 178.16 179.09 2pgg h LYS 619 N 0.16 0.04 -0.29 4.88 1.57 -0.99 0.98 116.57 122.92 2pgg h LYS 619 Ca 0.03 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2pgg h LYS 619 Cb 0.50 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2pgg h LYS 619 CO 0.03 0.35 -0.06 0.28 -0.57 0.00 0.00 179.45 179.48 2pgg h VAL 620 N 0.04 1.28 -0.20 0.50 2.07 -1.08 -0.30 116.25 118.56 2pgg h VAL 620 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2pgg h VAL 620 Cb 0.57 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2pgg h VAL 620 CO 0.04 0.35 0.12 0.58 0.02 0.00 0.00 177.57 178.67 2pgg h VAL 621 N 0.31 1.09 0.17 2.57 2.07 -1.18 0.40 116.25 121.69 2pgg h VAL 621 Ca 0.07 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2pgg h VAL 621 Cb 0.54 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2pgg h VAL 621 CO 0.03 0.09 -0.22 -0.09 0.02 0.00 0.00 177.57 177.40 2pgg h ARG 622 N 0.23 -0.43 -0.19 1.57 2.43 -0.71 -0.08 114.38 117.20 2pgg h ARG 622 Ca 0.07 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2pgg h ARG 622 Cb 0.04 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2pgg h ARG 622 CO -0.01 -0.29 -0.11 1.88 -1.51 0.00 0.00 179.97 179.93 2pgg h TYR 623 N -0.44 0.48 -0.58 2.20 0.99 -0.99 -2.10 116.97 116.53 2pgg h TYR 623 Ca 0.01 -0.13 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 2pgg h TYR 623 Cb 0.44 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 38.04 2pgg h TYR 623 CO -0.18 0.73 -0.04 0.93 -0.00 0.00 0.00 178.16 179.59 2pgg h GLU 624 N 0.10 1.04 -0.73 4.88 4.39 -0.94 -2.59 114.58 120.72 2pgg h GLU 624 Ca 0.04 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 2pgg h GLU 624 Cb 0.61 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2pgg h GLU 624 CO 0.03 1.04 0.21 0.00 -1.16 0.00 0.00 179.01 179.13 2pgg h ALA 625 N 1.00 0.99 -0.86 3.43 0.00 -1.02 0.59 119.26 123.40 2pgg h ALA 625 Ca 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2pgg h ALA 625 Cb 0.60 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2pgg h ALA 625 CO 0.04 0.67 0.48 -0.07 0.00 0.00 0.00 179.25 180.36 2pgg h LEU 626 N 1.09 1.07 0.41 0.00 3.38 -1.22 -1.65 115.31 118.40 2pgg h LEU 626 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2pgg h LEU 626 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pgg h LEU 626 CO -0.00 0.86 -0.20 0.03 0.09 0.00 0.00 178.44 179.22 2pgg h ARG 627 N 1.20 -0.53 -1.03 1.13 3.08 -1.06 0.14 114.38 117.31 2pgg h ARG 627 Ca 0.30 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.65 2pgg h ARG 627 Cb 0.02 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 2pgg h ARG 627 CO -0.05 -0.22 0.65 1.25 -1.07 0.00 0.00 179.97 180.53 2pgg h LEU 628 N -0.93 0.51 0.00 3.04 5.85 -0.79 -0.02 115.31 122.97 2pgg h LEU 628 Ca -0.06 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2pgg h LEU 628 Cb 0.55 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2pgg h LEU 628 CO 0.09 0.10 -0.25 0.55 -0.34 0.00 0.00 178.44 178.59 2pgg n VAL 629 N -4.68 0.42 0.00 1.05 3.14 -0.63 -4.83 118.33 112.80 2pgg n VAL 629 Ca 0.25 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2pgg n VAL 629 Cb 0.83 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2pgg n VAL 629 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pgg n GLY 630 N 1.35 0.01 0.33 7.55 0.00 -0.21 -1.67 105.19 112.56 2pgg n GLY 630 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2pgg n GLY 630 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pgg h GLY 631 N 0.00 0.17 0.75 -0.02 0.00 0.10 -1.82 103.07 102.24 2pgg h GLY 631 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.41 2pgg h GLY 631 CO 0.00 0.04 0.50 0.11 0.00 0.00 0.00 176.54 177.18 2pgg h TRP 632 N 0.13 0.00 -0.10 5.60 5.08 -1.32 0.58 115.95 125.92 2pgg h TRP 632 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 2pgg h TRP 632 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 2pgg h TRP 632 CO -0.00 0.00 0.00 -1.71 -1.28 0.00 0.00 178.44 175.45 2pgg n ASN 633 N -3.70 1.77 -3.99 0.11 4.05 -0.68 -4.75 115.26 108.07 2pgg n ASN 633 Ca 0.09 -1.65 -0.31 0.00 0.45 0.00 0.00 54.58 53.16 2pgg n ASN 633 Cb 0.68 -0.06 -0.15 0.00 1.23 0.00 0.00 39.78 41.48 2pgg n ASN 633 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2pgg s TYR 634 N -1.88 2.93 0.04 1.20 1.51 0.19 -3.82 117.35 117.52 2pgg s TYR 634 Ca 0.35 -2.20 -0.08 0.00 -1.01 0.00 0.00 57.07 54.13 2pgg s TYR 634 Cb 0.19 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2pgg s TYR 634 CO 0.30 -0.85 0.92 -2.30 -1.11 0.00 0.00 175.55 172.50 2pgg n PRO 635 N 4.51 -0.12 0.10 -1.71 -0.02 -1.26 0.68 135.00 137.19 2pgg n PRO 635 Ca -0.09 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2pgg n PRO 635 Cb 0.43 -1.35 -0.08 0.00 -0.02 0.00 0.00 33.50 32.48 2pgg n PRO 635 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2pgg h LEU 636 N 0.00 -0.19 -0.16 2.45 3.38 -1.92 -1.32 115.31 117.55 2pgg h LEU 636 Ca 0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2pgg h LEU 636 Cb 0.11 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2pgg h LEU 636 CO -0.25 0.03 -0.10 0.25 0.09 0.00 0.00 178.44 178.47 2pgg h LEU 637 N -0.41 -0.32 0.14 1.67 5.85 -1.83 0.81 115.31 121.21 2pgg h LEU 637 Ca -0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2pgg h LEU 637 Cb 0.32 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2pgg h LEU 637 CO 0.04 -0.13 -0.41 -1.13 -0.34 0.00 0.00 178.44 176.47 2pgg h ASN 638 N -0.10 -1.19 -0.96 1.25 -1.24 0.32 0.60 115.58 114.26 2pgg h ASN 638 Ca 0.10 0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.25 2pgg h ASN 638 Cb 0.24 0.44 -0.05 0.00 0.73 0.00 0.00 38.32 39.68 2pgg h ASN 638 CO -0.22 -0.48 0.64 0.50 -1.29 0.00 0.00 177.43 176.57 2pgg h LYS 639 N -0.65 1.26 -0.11 6.67 1.63 -1.04 0.41 116.57 124.74 2pgg h LYS 639 Ca 0.02 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2pgg h LYS 639 Cb 0.67 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2pgg h LYS 639 CO -0.23 0.83 0.02 0.00 -3.45 0.00 0.00 179.45 176.63 2pgg h ALA 640 N 1.40 0.14 -0.54 5.00 0.00 -0.35 0.29 119.26 125.20 2pgg h ALA 640 Ca 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2pgg h ALA 640 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2pgg h ALA 640 CO -0.08 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.05 2pgg h LYS 642 N 0.80 0.24 -0.03 0.00 3.64 -0.69 1.00 116.57 121.53 2pgg h LYS 642 Ca 0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2pgg h LYS 642 Cb 0.34 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2pgg h LYS 642 CO 0.00 0.23 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.48 2pgg h ASN 643 N 0.19 0.08 -0.67 4.20 2.35 -0.65 0.69 115.58 121.76 2pgg h ASN 643 Ca 0.06 -0.48 0.06 0.00 -0.55 0.00 0.00 56.30 55.39 2pgg h ASN 643 Cb 0.06 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2pgg h ASN 643 CO -0.01 0.55 0.44 0.78 -1.65 0.00 0.00 177.43 177.54 2pgg h ASN 644 N -0.38 0.62 -0.18 5.81 4.21 -0.77 -0.89 115.58 123.99 2pgg h ASN 644 Ca 0.01 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.34 2pgg h ASN 644 Cb 0.52 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.60 2pgg h ASN 644 CO 0.01 0.40 -0.58 0.00 -1.29 0.00 0.00 177.43 175.97 2pgg h ALA 645 N 1.63 0.31 -0.52 -0.83 0.00 -0.72 -3.10 119.26 116.04 2pgg h ALA 645 Ca 0.29 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2pgg h ALA 645 Cb 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2pgg h ALA 645 CO -0.09 0.55 0.23 0.78 0.00 0.00 0.00 179.25 180.72 2pgg h GLY 646 N 0.41 0.71 0.66 0.00 0.00 0.43 -1.87 103.07 103.42 2pgg h GLY 646 Ca -0.02 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2pgg h GLY 646 CO 0.12 0.07 0.13 0.00 0.00 0.00 0.00 176.54 176.87 2pgg h ALA 647 N 1.31 0.45 -0.58 3.60 0.00 -1.29 -1.90 119.26 120.85 2pgg h ALA 647 Ca 0.24 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2pgg h ALA 647 Cb 0.19 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2pgg h ALA 647 CO -0.20 -0.26 0.24 0.00 0.00 0.00 0.00 179.25 179.04 2pgg h ALA 648 N 1.25 0.74 -0.58 0.00 0.00 -1.31 0.12 119.26 119.48 2pgg h ALA 648 Ca 0.18 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2pgg h ALA 648 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2pgg h ALA 648 CO -0.18 -0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.28 2pgg h ARG 649 N 0.45 0.71 -0.10 0.00 3.08 -0.75 -0.48 114.38 117.29 2pgg h ARG 649 Ca 0.28 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2pgg h ARG 649 Cb 0.29 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2pgg h ARG 649 CO -0.25 0.47 0.03 0.00 -1.07 0.00 0.00 179.97 179.15 2pgg h ARG 650 N 0.73 0.16 -0.67 0.04 3.08 -0.58 -0.49 114.38 116.64 2pgg h ARG 650 Ca 0.23 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.31 2pgg h ARG 650 Cb -0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 2pgg h ARG 650 CO -0.08 0.31 0.35 1.25 -1.07 0.00 0.00 179.97 180.73 2pgg h HIS 651 N -0.02 0.64 0.00 3.04 2.76 -0.56 0.18 115.15 121.19 2pgg h HIS 651 Ca 0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2pgg h HIS 651 Cb 0.22 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 2pgg h HIS 651 CO -0.00 0.28 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.75 2pgg h LEU 652 N 0.64 0.00 0.00 0.26 3.38 -0.92 -2.85 115.31 115.82 2pgg h LEU 652 Ca 0.31 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 2pgg h LEU 652 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2pgg h LEU 652 CO -0.22 0.09 -0.51 -0.08 0.09 0.00 0.00 178.44 177.81 2pgg h GLU 653 N 0.00 0.34 -1.10 1.13 4.57 0.97 -1.49 114.58 119.00 2pgg h GLU 653 Ca -0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2pgg h GLU 653 Cb 0.52 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2pgg h GLU 653 CO 0.01 1.06 0.00 0.00 -1.18 0.00 0.00 179.01 178.90 2pgg n ALA 654 N -2.58 2.61 -1.23 2.92 0.00 0.01 -1.97 120.51 120.27 2pgg n ALA 654 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pgg n ALA 654 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2pgg n ALA 654 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pgg n LYS 655 N 0.59 0.00 -1.01 0.00 4.76 -1.18 -5.02 118.16 116.30 2pgg n LYS 655 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2pgg n LYS 655 Cb 0.49 -0.27 -0.00 0.00 -1.84 0.00 0.00 35.03 33.41 2pgg n LYS 655 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pgg n GLY 656 N 0.00 0.16 3.69 0.72 0.00 -0.83 -4.94 105.19 103.98 2pgg n GLY 656 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2pgg n GLY 656 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2pgg n PHE 657 N -2.27 2.44 -0.85 1.61 7.35 -0.58 -4.85 117.46 120.31 2pgg n PHE 657 Ca -0.00 0.25 -0.10 0.00 -0.76 0.00 0.00 57.45 56.84 2pgg n PHE 657 Cb 0.37 -2.56 -0.14 0.00 0.35 0.00 0.00 39.48 37.50 2pgg n PHE 657 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2pgg n PRO 658 N 3.05 1.70 -0.30 -7.13 -0.04 -1.26 -4.73 135.00 126.29 2pgg n PRO 658 Ca 0.14 -0.82 0.12 0.00 -0.04 0.00 0.00 63.50 62.90 2pgg n PRO 658 Cb 0.32 -1.88 0.24 0.00 -0.04 0.00 0.00 33.50 32.14 2pgg n PRO 658 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2pgg n LEU 659 N 2.48 -0.13 -0.18 1.53 7.94 -1.26 -0.35 117.00 127.03 2pgg n LEU 659 Ca 0.35 1.47 0.07 0.00 -1.11 0.00 0.00 56.01 56.80 2pgg n LEU 659 Cb 0.79 -0.52 0.37 0.00 0.53 0.00 0.00 43.42 44.58 2pgg n LEU 659 CO 0.12 -1.48 1.21 0.44 -1.11 0.00 0.00 177.39 176.58 2pgg h ASP 660 N 0.00 0.63 1.62 1.96 3.32 -1.98 0.23 116.42 122.20 2pgg h ASP 660 Ca 0.51 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.50 2pgg h ASP 660 Cb 1.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2pgg h ASP 660 CO -0.82 0.40 -0.38 -0.33 -1.72 0.00 0.00 179.24 176.38 2pgg h GLU 661 N 0.71 0.00 -0.01 3.56 5.08 -1.10 -3.19 114.58 119.63 2pgg h GLU 661 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2pgg h GLU 661 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2pgg h GLU 661 CO -0.11 0.29 -0.04 0.35 -1.00 0.00 0.00 179.01 178.50 2pgg h PHE 662 N 0.00 0.07 0.00 4.33 3.57 -0.64 -3.17 116.94 121.10 2pgg h PHE 662 Ca -0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2pgg h PHE 662 Cb 1.24 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2pgg h PHE 662 CO 0.00 0.67 0.00 1.28 -2.23 0.00 0.00 178.31 178.03 2pgg n LEU 663 N -4.74 0.00 -0.26 0.59 4.77 -0.10 -4.20 117.00 113.07 2pgg n LEU 663 Ca -0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 2pgg n LEU 663 Cb 0.34 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2pgg n LEU 663 CO 0.35 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 177.06 2pgg h ALA 664 N 3.13 0.19 -1.33 -1.18 0.00 -1.53 -1.91 119.26 116.62 2pgg h ALA 664 Ca 0.00 0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.59 2pgg h ALA 664 Cb 0.00 0.75 -0.42 0.00 0.00 0.00 0.00 17.79 18.12 2pgg h ALA 664 CO 0.00 -0.57 -0.80 -1.91 0.00 0.00 0.00 179.25 175.97 2pgg n GLU 665 N -5.47 3.20 0.07 0.00 4.07 -1.26 -4.90 120.64 116.35 2pgg n GLU 665 Ca 0.08 -4.32 0.20 0.00 -0.06 0.00 0.00 57.16 53.06 2pgg n GLU 665 Cb 0.38 -2.14 0.66 0.00 -0.06 0.00 0.00 31.44 30.27 2pgg n GLU 665 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 2pgg h TRP 666 N 2.56 0.00 -0.19 4.31 5.08 -1.58 -1.14 115.95 125.00 2pgg h TRP 666 Ca 0.26 0.00 0.06 0.00 1.08 0.00 0.00 58.89 60.29 2pgg h TRP 666 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.20 2pgg h TRP 666 CO 0.79 0.00 0.21 0.66 -1.28 0.00 0.00 178.44 178.82 2pgg h SER 667 N 0.00 0.00 0.66 0.11 4.64 -1.89 0.23 113.55 117.29 2pgg h SER 667 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2pgg h SER 667 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2pgg h SER 667 CO -0.00 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.14 2pgg n GLU 668 N -3.81 0.19 0.00 4.77 1.02 -0.43 -3.46 120.64 118.92 2pgg n GLU 668 Ca 0.02 -0.06 0.09 0.00 -0.02 0.00 0.00 57.16 57.19 2pgg n GLU 668 Cb 0.33 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.33 2pgg n GLU 668 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pgg n LEU 669 N -1.35 2.53 -4.39 -4.62 4.77 0.78 -4.98 117.00 109.73 2pgg n LEU 669 Ca 0.09 -1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 54.76 2pgg n LEU 669 Cb 0.32 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.27 2pgg n LEU 669 CO 0.29 0.44 -0.54 -0.55 -1.33 0.00 0.00 177.39 175.70 2pgg s SER 670 N -1.54 3.44 0.09 -1.43 0.15 -1.09 -4.93 113.70 108.39 2pgg s SER 670 Ca 0.22 -0.52 0.16 0.00 0.70 0.00 0.00 55.95 56.50 2pgg s SER 670 Cb 0.15 -0.43 0.68 0.00 -1.71 0.00 0.00 66.02 64.72 2pgg s SER 670 CO 0.23 0.26 1.50 -1.84 1.20 0.00 0.00 173.24 174.59 2pgg n GLU 671 N 1.68 0.06 0.00 5.44 0.28 -1.26 -1.77 120.64 125.07 2pgg n GLU 671 Ca -0.17 0.34 0.07 0.00 -0.16 0.00 0.00 57.16 57.25 2pgg n GLU 671 Cb 0.52 -1.63 0.02 0.00 1.43 0.00 0.00 31.44 31.78 2pgg n GLU 671 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2pgg n PHE 672 N -1.75 0.00 -0.30 -1.84 3.01 -1.26 -4.67 117.46 110.65 2pgg n PHE 672 Ca 0.02 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.72 2pgg n PHE 672 Cb 0.16 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.17 2pgg n PHE 672 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pgg h GLY 673 N 3.16 1.01 0.27 1.37 0.00 -1.41 -1.48 103.07 105.99 2pgg h GLY 673 Ca 0.00 -0.18 0.22 0.00 0.00 0.00 0.00 47.33 47.37 2pgg h GLY 673 CO 0.00 -0.09 0.61 -2.09 0.00 0.00 0.00 176.54 174.97 2pgg h GLU 674 N 0.36 0.26 0.00 4.80 4.57 -1.81 0.22 114.58 122.98 2pgg h GLU 674 Ca 0.56 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.69 2pgg h GLU 674 Cb 1.50 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.02 2pgg h GLU 674 CO -0.24 0.17 -0.16 0.00 -1.18 0.00 0.00 179.01 177.61 2pgg h ALA 675 N 1.60 0.96 -0.01 2.92 0.00 -1.64 -3.30 119.26 119.79 2pgg h ALA 675 Ca 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2pgg h ALA 675 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2pgg h ALA 675 CO -0.13 0.19 -0.06 1.19 0.00 0.00 0.00 179.25 180.45 2pgg n PHE 676 N -3.22 0.00 -0.09 0.00 3.01 -0.06 -4.86 117.46 112.24 2pgg n PHE 676 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.45 2pgg n PHE 676 Cb 0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 2pgg n PHE 676 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2pgg n GLU 677 N 0.19 -0.10 -0.63 -1.08 1.02 -0.48 -1.29 120.64 118.27 2pgg n GLU 677 Ca 0.04 0.97 -0.07 0.00 -0.02 0.00 0.00 57.16 58.08 2pgg n GLU 677 Cb 0.19 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 2pgg n GLU 677 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pgg n GLY 678 N -1.06 3.16 0.00 0.62 0.00 -1.26 -3.83 105.19 102.82 2pgg n GLY 678 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.56 2pgg n GLY 678 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pgg n PHE 679 N 0.85 0.00 -3.96 1.61 0.99 -0.42 -5.04 117.46 111.50 2pgg n PHE 679 Ca 0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.18 2pgg n PHE 679 Cb 0.57 -0.05 0.02 0.00 -1.00 0.00 0.00 39.48 39.02 2pgg n PHE 679 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2pgg n ASN 680 N -1.41 -4.51 -4.58 4.37 5.15 -1.25 -4.96 115.26 108.07 2pgg n ASN 680 Ca -0.00 -1.19 -0.24 0.00 -0.60 0.00 0.00 54.58 52.55 2pgg n ASN 680 Cb 0.07 -2.00 -0.09 0.00 -0.53 0.00 0.00 39.78 37.23 2pgg n ASN 680 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2pgg s ILE 681 N -3.43 2.76 0.04 -1.44 -4.36 -1.26 -5.13 121.20 108.39 2pgg s ILE 681 Ca 0.41 -2.10 -0.22 0.00 -0.26 0.00 0.00 60.65 58.48 2pgg s ILE 681 Cb -0.21 -2.65 -0.06 0.00 1.25 0.00 0.00 42.46 40.79 2pgg s ILE 681 CO 0.94 -0.30 0.64 -0.75 0.24 0.00 0.00 174.94 175.71 2pgg s LYS 682 N -3.64 4.35 -1.07 0.37 2.20 -1.26 -4.98 119.74 115.72 2pgg s LYS 682 Ca 0.32 0.84 -0.23 0.00 -0.36 0.00 0.00 55.97 56.55 2pgg s LYS 682 Cb -0.03 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2pgg s LYS 682 CO 0.18 0.44 1.83 -1.17 -0.36 0.00 0.00 175.35 176.26 2pgg s LEU 683 N -0.48 3.28 -0.13 5.43 2.96 -1.26 -4.85 118.68 123.63 2pgg s LEU 683 Ca 0.32 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 2pgg s LEU 683 Cb -0.19 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 43.97 2pgg s LEU 683 CO 0.20 -2.41 0.47 0.28 -1.32 0.00 0.00 176.35 173.56 2pgg s THR 684 N 8.67 0.01 -0.34 3.68 -1.32 -1.26 -5.06 115.64 120.02 2pgg s THR 684 Ca 0.63 -0.10 -0.00 0.00 -1.21 0.00 0.00 61.69 61.01 2pgg s THR 684 Cb -0.02 -0.70 0.08 0.00 -1.51 0.00 0.00 72.50 70.35 2pgg s THR 684 CO 0.03 -0.05 0.06 -0.69 -2.21 0.00 0.00 174.62 171.76 2pgg s VAL 685 N -0.25 2.81 0.21 5.08 1.01 -1.26 -4.80 120.40 123.20 2pgg s VAL 685 Ca -0.04 -1.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 2pgg s VAL 685 Cb -0.03 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2pgg s VAL 685 CO 0.03 -0.39 0.27 0.42 0.00 0.00 0.00 175.10 175.43 2pgg s THR 686 N 1.12 0.01 0.42 3.92 -4.23 -1.26 -5.02 115.64 110.60 2pgg s THR 686 Ca 0.02 -1.72 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2pgg s THR 686 Cb -0.21 -2.31 0.25 0.00 1.34 0.00 0.00 72.50 71.58 2pgg s THR 686 CO -0.04 -0.05 2.05 0.77 -0.54 0.00 0.00 174.62 176.81 2pgg h SER 687 N 2.49 0.39 0.53 3.99 4.64 -1.90 -0.78 113.55 122.91 2pgg h SER 687 Ca -0.32 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2pgg h SER 687 Cb 1.25 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2pgg h SER 687 CO 0.46 0.31 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.15 2pgg h GLU 688 N 0.45 -0.68 -0.92 4.77 3.07 -1.96 -1.68 114.58 117.63 2pgg h GLU 688 Ca 0.12 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.12 2pgg h GLU 688 Cb 0.00 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 27.99 2pgg h GLU 688 CO -0.02 -0.38 0.56 0.66 -1.40 0.00 0.00 179.01 178.43 2pgg h SER 689 N -1.05 0.84 0.41 1.42 4.64 -1.82 0.23 113.55 118.23 2pgg h SER 689 Ca -0.07 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 2pgg h SER 689 Cb 0.62 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2pgg h SER 689 CO 0.12 0.49 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.08 2pgg h LEU 690 N 0.95 0.02 -0.16 5.97 3.38 -1.19 0.18 115.31 124.47 2pgg h LEU 690 Ca 0.43 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 2pgg h LEU 690 Cb 0.34 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2pgg h LEU 690 CO -0.23 0.44 -0.57 0.00 0.09 0.00 0.00 178.44 178.18 2pgg h ALA 691 N 1.56 0.29 -0.64 1.53 0.00 -0.05 -2.48 119.26 119.47 2pgg h ALA 691 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2pgg h ALA 691 Cb 0.76 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2pgg h ALA 691 CO 0.06 0.51 0.33 1.49 0.00 0.00 0.00 179.25 181.65 2pgg h GLU 692 N 0.35 0.90 -0.41 0.00 4.57 -0.26 -0.50 114.58 119.24 2pgg h GLU 692 Ca -0.03 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2pgg h GLU 692 Cb 1.20 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2pgg h GLU 692 CO 0.12 0.69 0.08 1.25 -1.18 0.00 0.00 179.01 179.98 2pgg h LEU 693 N 0.87 0.56 -1.77 1.64 5.85 -0.90 -3.09 115.31 118.46 2pgg h LEU 693 Ca 0.22 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2pgg h LEU 693 Cb 0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2pgg h LEU 693 CO -0.03 0.57 -0.06 0.59 -0.34 0.00 0.00 178.44 179.17 2pgg n ASN 694 N -4.31 2.79 -4.67 1.25 4.13 -0.94 -1.25 115.26 112.26 2pgg n ASN 694 Ca 0.02 -1.89 -0.42 0.00 1.68 0.00 0.00 54.58 53.97 2pgg n ASN 694 Cb 0.20 0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 2pgg n ASN 694 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2pgg s LYS 695 N -1.97 4.15 0.21 3.52 2.20 -0.22 -2.98 119.74 124.65 2pgg s LYS 695 Ca 0.26 2.56 -0.32 0.00 -0.36 0.00 0.00 55.97 58.11 2pgg s LYS 695 Cb 0.19 -4.00 -0.15 0.00 -1.51 0.00 0.00 37.83 32.36 2pgg s LYS 695 CO 0.32 -0.91 1.25 -2.30 -0.36 0.00 0.00 175.35 173.34 2pgg n PRO 696 N 7.03 1.55 -4.49 4.03 -0.02 -1.26 -4.29 135.00 137.56 2pgg n PRO 696 Ca 0.19 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 2pgg n PRO 696 Cb 0.41 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 2pgg n PRO 696 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pgg s VAL 697 N -0.24 1.01 0.35 -1.45 1.01 -0.83 -4.92 120.40 115.33 2pgg s VAL 697 Ca 0.69 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 2pgg s VAL 697 Cb -0.75 -0.87 -0.11 0.00 0.00 0.00 0.00 36.38 34.64 2pgg s VAL 697 CO 0.52 0.18 1.49 -2.65 0.00 0.00 0.00 175.10 174.65 2pgg n PRO 698 N 2.49 2.61 -1.81 2.72 -0.02 -1.26 -4.89 135.00 134.83 2pgg n PRO 698 Ca -0.15 0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 61.87 2pgg n PRO 698 Cb 0.55 -2.64 0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2pgg n PRO 698 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2pgg s PRO 699 N -1.60 3.02 0.46 0.52 0.02 -1.26 -4.96 135.00 131.20 2pgg s PRO 699 Ca 0.57 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 63.50 2pgg s PRO 699 Cb -0.50 -2.14 -0.07 0.00 0.02 0.00 0.00 34.50 31.81 2pgg s PRO 699 CO 0.59 -1.26 1.25 0.15 -0.33 0.00 0.00 177.00 177.40 2pgg s LYS 700 N -3.04 3.68 0.39 5.54 1.02 -1.26 -4.95 119.74 121.12 2pgg s LYS 700 Ca 0.74 1.99 -0.27 0.00 0.02 0.00 0.00 55.97 58.46 2pgg s LYS 700 Cb -0.38 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 2pgg s LYS 700 CO 0.44 -0.68 1.33 -2.14 -0.92 0.00 0.00 175.35 173.38 2pgg s PRO 701 N -2.60 4.07 0.63 -1.68 0.02 -1.26 -4.83 135.00 129.35 2pgg s PRO 701 Ca 0.63 2.22 -0.14 0.00 0.02 0.00 0.00 61.00 63.73 2pgg s PRO 701 Cb -0.34 -2.85 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 2pgg s PRO 701 CO 0.42 -0.43 1.06 -1.25 -0.33 0.00 0.00 177.00 176.47 2pgg s PRO 702 N -2.12 3.14 -0.33 5.54 0.04 -1.26 -4.86 135.00 135.14 2pgg s PRO 702 Ca 0.55 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.75 2pgg s PRO 702 Cb -0.40 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.24 2pgg s PRO 702 CO 0.52 -0.95 0.10 1.21 0.04 0.00 0.00 177.00 177.91 2pgg s ASN 703 N -3.04 4.16 0.22 6.66 2.47 -1.26 -5.06 114.94 119.09 2pgg s ASN 703 Ca 0.62 -1.85 -0.03 0.00 0.42 0.00 0.00 52.86 52.02 2pgg s ASN 703 Cb -0.16 -1.05 -0.03 0.00 -1.45 0.00 0.00 41.25 38.56 2pgg s ASN 703 CO 0.43 -0.39 0.23 -0.69 -3.72 0.00 0.00 177.10 172.95 2pgg s VAL 704 N 1.33 0.00 0.00 -5.21 1.01 -1.26 -2.34 120.40 113.93 2pgg s VAL 704 Ca 0.11 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2pgg s VAL 704 Cb -0.18 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2pgg s VAL 704 CO -0.19 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.50 2pgg n ASN 705 N -0.40 0.00 -4.71 3.32 3.02 -1.26 -4.93 115.26 110.30 2pgg n ASN 705 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 2pgg n ASN 705 Cb 0.65 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 2pgg n ASN 705 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2pgg s ARG 706 N 0.00 4.46 -0.24 3.52 3.52 -1.26 -4.98 118.95 123.97 2pgg s ARG 706 Ca 0.00 1.00 -0.34 0.00 -0.13 0.00 0.00 55.73 56.26 2pgg s ARG 706 Cb 0.00 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 2pgg s ARG 706 CO 0.00 0.03 2.08 -0.35 -0.81 0.00 0.00 175.30 176.25 2pgg n PRO 707 N 3.84 1.58 -1.54 5.12 -0.04 -1.26 -4.88 135.00 137.81 2pgg n PRO 707 Ca 0.00 0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 63.53 2pgg n PRO 707 Cb 0.51 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2pgg n PRO 707 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2pgg n VAL 708 N 6.57 2.10 -1.53 0.52 0.24 -1.26 -4.77 118.33 120.20 2pgg n VAL 708 Ca 0.33 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.72 2pgg n VAL 708 Cb 0.29 -0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 31.76 2pgg n VAL 708 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pgg n ASN 709 N 1.01 2.19 0.28 -1.34 2.85 -1.26 -4.77 115.26 114.21 2pgg n ASN 709 Ca 0.11 -0.12 0.15 0.00 -0.11 0.00 0.00 54.58 54.61 2pgg n ASN 709 Cb 0.37 -1.43 0.79 0.00 1.24 0.00 0.00 39.78 40.75 2pgg n ASN 709 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pgg h THR 710 N 7.53 0.00 0.00 -0.44 1.03 -1.86 -1.66 112.91 117.51 2pgg h THR 710 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 2pgg h THR 710 Cb 1.28 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 2pgg h THR 710 CO 1.13 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.25 2pgg n GLY 711 N -1.21 -0.56 0.05 2.99 0.00 -1.26 -4.44 105.19 100.76 2pgg n GLY 711 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2pgg n GLY 711 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgg n GLY 712 N 0.11 -1.48 0.28 -0.02 0.00 -0.62 -3.76 105.19 99.69 2pgg n GLY 712 Ca 0.13 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.66 2pgg n GLY 712 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pgg h LEU 713 N -0.05 0.38 -0.77 0.99 5.85 -1.86 -2.46 115.31 117.40 2pgg h LEU 713 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2pgg h LEU 713 Cb 0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2pgg h LEU 713 CO 0.00 0.39 0.00 0.07 -0.34 0.00 0.00 178.44 178.56 2pgg h LYS 714 N 0.41 0.00 0.14 1.25 2.10 -1.95 0.32 116.57 118.84 2pgg h LYS 714 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2pgg h LYS 714 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2pgg h LYS 714 CO -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 179.45 177.38 2pgg h ALA 715 N 2.12 -0.19 -0.45 0.07 0.00 -1.53 -2.31 119.26 116.96 2pgg h ALA 715 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2pgg h ALA 715 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2pgg h ALA 715 CO 0.00 -0.32 0.08 0.28 0.00 0.00 0.00 179.25 179.29 2pgg h VAL 716 N -0.77 1.21 -0.44 0.00 2.07 -1.45 -1.44 116.25 115.44 2pgg h VAL 716 Ca -0.02 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2pgg h VAL 716 Cb 0.53 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2pgg h VAL 716 CO 0.03 0.29 0.26 0.28 0.02 0.00 0.00 177.57 178.45 2pgg h SER 717 N 0.67 0.53 -0.40 0.57 0.02 -0.37 0.61 113.55 115.19 2pgg h SER 717 Ca 0.15 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 2pgg h SER 717 Cb 0.30 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2pgg h SER 717 CO 0.00 0.44 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.72 2pgg h ASN 718 N 0.58 0.96 0.95 3.07 -1.24 -1.15 -2.62 115.58 116.13 2pgg h ASN 718 Ca 0.16 -0.39 -0.05 0.00 0.71 0.00 0.00 56.30 56.73 2pgg h ASN 718 Cb 0.01 -0.27 0.01 0.00 0.73 0.00 0.00 38.32 38.80 2pgg h ASN 718 CO -0.03 1.17 -0.48 0.00 -1.29 0.00 0.00 177.43 176.80 2pgg h ALA 719 N 0.89 -1.34 -0.42 1.57 0.00 -0.94 -3.01 119.26 116.01 2pgg h ALA 719 Ca 0.09 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2pgg h ALA 719 Cb 0.85 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2pgg h ALA 719 CO 0.07 -1.26 0.32 -0.07 0.00 0.00 0.00 179.25 178.32 2pgg h LEU 720 N -1.30 0.00 -2.20 0.00 3.38 -0.92 -0.01 115.31 114.26 2pgg h LEU 720 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2pgg h LEU 720 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2pgg h LEU 720 CO 0.20 0.00 -0.06 0.50 0.09 0.00 0.00 178.44 179.17 2pgg h LYS 721 N 0.00 0.00 -0.77 1.13 1.63 -1.32 -2.13 116.57 115.11 2pgg h LYS 721 Ca 0.20 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.04 2pgg h LYS 721 Cb 0.84 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.42 2pgg h LYS 721 CO -0.00 0.06 0.51 0.00 -3.45 0.00 0.00 179.45 176.57 2pgg h THR 722 N 0.00 1.09 0.00 1.00 1.03 -1.03 -3.46 112.91 111.55 2pgg h THR 722 Ca -0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 2pgg h THR 722 Cb 0.21 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.39 2pgg h THR 722 CO 0.01 0.17 0.00 0.61 -0.01 0.00 0.00 175.52 176.29 2pgg n GLY 723 N -1.43 0.32 3.15 2.99 0.00 -0.80 -5.02 105.19 104.39 2pgg n GLY 723 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2pgg n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pgg s ARG 724 N -0.92 2.14 0.06 1.61 0.52 -1.26 -4.69 118.95 116.40 2pgg s ARG 724 Ca 0.00 -1.78 -0.06 0.00 -0.52 0.00 0.00 55.73 53.37 2pgg s ARG 724 Cb 0.00 -3.67 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 2pgg s ARG 724 CO 0.00 -1.09 0.11 1.52 0.02 0.00 0.00 175.30 175.86 2pgg s TYR 725 N 1.21 0.24 0.65 -0.53 -0.85 -1.26 -4.85 117.35 111.96 2pgg s TYR 725 Ca 0.07 -0.63 -0.09 0.00 -0.52 0.00 0.00 57.07 55.89 2pgg s TYR 725 Cb -0.24 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 41.95 2pgg s TYR 725 CO -0.03 -0.43 1.01 1.03 -1.52 0.00 0.00 175.55 175.61 2pgg s ARG 726 N -3.30 3.04 -0.92 -3.49 0.52 -1.25 -0.55 118.95 112.99 2pgg s ARG 726 Ca 0.01 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.42 2pgg s ARG 726 Cb 0.03 -2.12 0.17 0.00 0.52 0.00 0.00 34.95 33.55 2pgg s ARG 726 CO -0.08 -0.82 1.02 1.21 0.02 0.00 0.00 175.30 176.65 2pgg s ASN 727 N -4.30 6.75 0.00 0.23 2.47 -0.67 -4.51 114.94 114.91 2pgg s ASN 727 Ca 0.56 -2.44 0.19 0.00 0.42 0.00 0.00 52.86 51.58 2pgg s ASN 727 Cb -0.11 -2.32 1.11 0.00 -1.45 0.00 0.00 41.25 38.48 2pgg s ASN 727 CO 0.50 -0.82 1.51 -0.62 -3.72 0.00 0.00 177.10 173.95 2pgg n GLU 728 N 5.32 0.60 0.03 0.43 -0.58 -1.26 -2.22 120.64 122.97 2pgg n GLU 728 Ca 0.21 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.07 2pgg n GLU 728 Cb 0.47 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 2pgg n GLU 728 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pgg n ALA 729 N -0.98 3.28 -0.72 0.62 0.00 -1.26 -4.92 120.51 116.53 2pgg n ALA 729 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2pgg n ALA 729 Cb 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2pgg n ALA 729 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pgg n GLY 730 N 1.34 1.58 0.19 0.00 0.00 -0.94 -2.74 105.19 104.62 2pgg n GLY 730 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 2pgg n GLY 730 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pgg h LEU 731 N 0.00 0.52 -0.80 0.99 5.85 -1.86 -2.68 115.31 117.33 2pgg h LEU 731 Ca 0.00 -0.06 0.19 0.00 0.84 0.00 0.00 57.88 58.85 2pgg h LEU 731 Cb 0.00 -0.13 -0.13 0.00 0.37 0.00 0.00 40.66 40.77 2pgg h LEU 731 CO 0.00 0.43 0.16 -1.28 -0.34 0.00 0.00 178.44 177.41 2pgg h SER 732 N 0.57 -0.07 -0.89 1.25 0.87 -0.42 1.00 113.55 115.86 2pgg h SER 732 Ca 0.15 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2pgg h SER 732 Cb 0.01 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2pgg h SER 732 CO -0.03 -0.12 0.53 1.23 -0.53 0.00 0.00 176.83 177.92 2pgg h GLY 733 N 0.21 1.29 1.11 5.77 0.00 -1.28 -2.00 103.07 108.18 2pgg h GLY 733 Ca 0.47 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 2pgg h GLY 733 CO -0.60 0.53 -0.20 1.41 0.00 0.00 0.00 176.54 177.67 2pgg h LEU 734 N 1.23 1.04 -0.53 3.11 3.38 -0.80 -1.21 115.31 121.53 2pgg h LEU 734 Ca 0.32 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2pgg h LEU 734 Cb -0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2pgg h LEU 734 CO -0.06 1.20 0.35 0.58 0.09 0.00 0.00 178.44 180.59 2pgg h VAL 735 N 0.87 1.12 -0.09 1.22 2.07 -0.71 0.11 116.25 120.85 2pgg h VAL 735 Ca 0.11 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 2pgg h VAL 735 Cb 0.79 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2pgg h VAL 735 CO 0.07 0.13 -0.67 -0.07 0.02 0.00 0.00 177.57 177.04 2pgg h LEU 736 N 0.70 0.43 -0.54 2.57 3.38 -1.29 -0.69 115.31 119.88 2pgg h LEU 736 Ca 0.20 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2pgg h LEU 736 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2pgg h LEU 736 CO -0.05 0.98 -0.39 0.25 0.09 0.00 0.00 178.44 179.31 2pgg h LEU 737 N 0.26 0.79 -0.15 1.67 5.85 -1.01 -1.15 115.31 121.57 2pgg h LEU 737 Ca -0.02 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2pgg h LEU 737 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2pgg h LEU 737 CO 0.11 1.09 0.01 0.00 -0.34 0.00 0.00 178.44 179.31 2pgg h ALA 738 N 0.95 0.20 -0.38 1.25 0.00 -0.86 -1.22 119.26 119.20 2pgg h ALA 738 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2pgg h ALA 738 Cb 0.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2pgg h ALA 738 CO 0.09 -0.12 0.25 1.15 0.00 0.00 0.00 179.25 180.62 2pgg h THR 739 N 0.02 1.08 0.01 0.00 2.02 -0.99 -0.46 112.91 114.59 2pgg h THR 739 Ca 0.04 -0.17 -0.22 0.00 0.77 0.00 0.00 66.41 66.84 2pgg h THR 739 Cb 0.34 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2pgg h THR 739 CO 0.01 0.09 -1.05 0.00 0.37 0.00 0.00 175.52 174.93 2pgg h ALA 740 N 1.77 0.36 -0.01 6.16 0.00 -1.01 -3.30 119.26 123.22 2pgg h ALA 740 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2pgg h ALA 740 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pgg h ALA 740 CO -0.03 1.25 -0.40 0.54 0.00 0.00 0.00 179.25 180.61 2pgg n ARG 741 N -3.35 0.63 -2.87 0.00 1.74 -0.48 -4.40 116.66 107.93 2pgg n ARG 741 Ca -0.01 -0.41 -0.21 0.00 -0.77 0.00 0.00 57.85 56.45 2pgg n ARG 741 Cb 0.95 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.97 2pgg n ARG 741 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2pgg s SER 742 N -2.65 4.96 0.56 0.55 0.01 -0.22 -1.86 113.70 115.03 2pgg s SER 742 Ca 0.19 -0.60 -0.19 0.00 1.31 0.00 0.00 55.95 56.66 2pgg s SER 742 Cb 0.18 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2pgg s SER 742 CO 0.60 -1.41 1.15 -0.13 0.41 0.00 0.00 173.24 173.85 2pgg s ARG 743 N -4.77 3.26 0.44 12.44 0.52 0.66 -4.13 118.95 127.36 2pgg s ARG 743 Ca 0.62 1.65 0.19 0.00 -0.52 0.00 0.00 55.73 57.67 2pgg s ARG 743 Cb -0.06 -1.99 1.13 0.00 0.52 0.00 0.00 34.95 34.55 2pgg s ARG 743 CO 0.40 -0.93 1.89 1.25 0.02 0.00 0.00 175.30 177.92 2pgg h LEU 744 N 1.11 0.34 0.00 2.53 6.46 -1.90 -1.79 115.31 122.05 2pgg h LEU 744 Ca -0.50 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.23 2pgg h LEU 744 Cb 1.27 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 2pgg h LEU 744 CO 0.56 0.15 -0.61 0.06 -0.62 0.00 0.00 178.44 177.99 2pgg h GLN 745 N 0.34 0.00 -1.19 1.25 3.07 -1.95 -3.37 115.11 113.26 2pgg h GLN 745 Ca 0.42 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.77 2pgg h GLN 745 Cb 1.12 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 28.48 2pgg h GLN 745 CO -0.13 0.22 0.50 -0.25 0.09 0.00 0.00 178.83 179.25 2pgg n ASP 746 N -3.02 5.28 -0.26 0.06 8.00 -0.67 -4.60 116.55 121.34 2pgg n ASP 746 Ca 0.00 -3.17 -0.05 0.00 0.71 0.00 0.00 54.79 52.28 2pgg n ASP 746 Cb 0.65 -0.89 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 2pgg n ASP 746 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pgg h ALA 747 N 1.51 0.92 -0.29 2.24 0.00 -1.74 0.33 119.26 122.23 2pgg h ALA 747 Ca 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2pgg h ALA 747 Cb 1.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2pgg h ALA 747 CO 0.88 0.41 0.08 0.28 0.00 0.00 0.00 179.25 180.90 2pgg h VAL 748 N 0.98 1.21 -0.38 0.00 2.07 -1.82 -2.22 116.25 116.10 2pgg h VAL 748 Ca 0.25 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2pgg h VAL 748 Cb 0.01 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2pgg h VAL 748 CO -0.04 0.23 0.06 0.11 0.02 0.00 0.00 177.57 177.94 2pgg h LYS 749 N 0.31 0.63 -0.86 1.57 1.57 -1.88 -2.75 116.57 115.17 2pgg h LYS 749 Ca 0.09 -0.17 0.18 0.00 -1.87 0.00 0.00 60.65 58.88 2pgg h LYS 749 Cb 0.28 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 2pgg h LYS 749 CO -0.00 0.69 0.39 0.00 -0.57 0.00 0.00 179.45 179.97 2pgg h ALA 750 N 0.91 1.31 -0.40 3.86 0.00 -0.80 -0.40 119.26 123.74 2pgg h ALA 750 Ca 0.11 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2pgg h ALA 750 Cb 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pgg h ALA 750 CO 0.01 -0.22 0.07 -0.22 0.00 0.00 0.00 179.25 178.88 2pgg h LYS 751 N 0.49 0.66 -0.56 0.00 3.64 -1.17 -2.78 116.57 116.86 2pgg h LYS 751 Ca 0.50 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2pgg h LYS 751 Cb 0.83 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2pgg h LYS 751 CO -0.45 0.71 0.33 0.00 -2.27 0.00 0.00 179.45 177.77 2pgg h ALA 752 N 0.93 0.72 0.00 5.00 0.00 -0.84 0.13 119.26 125.20 2pgg h ALA 752 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pgg h ALA 752 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2pgg h ALA 752 CO 0.01 0.04 -0.08 0.93 0.00 0.00 0.00 179.25 180.15 2pgg h GLU 753 N 0.65 0.00 -0.01 0.00 4.39 -1.15 -1.12 114.58 117.34 2pgg h GLU 753 Ca 0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 2pgg h GLU 753 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2pgg h GLU 753 CO -0.11 0.08 -0.08 0.00 -1.16 0.00 0.00 179.01 177.73 2pgg h ALA 754 N 1.92 0.03 -0.77 3.43 0.00 -0.78 -2.41 119.26 120.67 2pgg h ALA 754 Ca -0.00 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.59 2pgg h ALA 754 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2pgg h ALA 754 CO 0.01 -0.07 0.51 0.93 0.00 0.00 0.00 179.25 180.63 2pgg h GLU 755 N -0.59 0.83 0.49 0.00 5.08 -0.31 -0.55 114.58 119.53 2pgg h GLU 755 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2pgg h GLU 755 Cb 0.78 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2pgg h GLU 755 CO 0.02 0.55 -0.23 0.87 -1.00 0.00 0.00 179.01 179.22 2pgg h LYS 756 N 0.86 -0.63 -0.94 2.33 1.57 -1.26 -2.79 116.57 115.71 2pgg h LYS 756 Ca 0.33 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.37 2pgg h LYS 756 Cb 0.19 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 2pgg h LYS 756 CO -0.11 -0.32 0.62 1.25 -0.57 0.00 0.00 179.45 180.32 2pgg h LEU 757 N -0.97 0.41 -0.37 2.94 5.85 -1.02 -0.52 115.31 121.64 2pgg h LEU 757 Ca -0.07 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2pgg h LEU 757 Cb 0.60 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2pgg h LEU 757 CO 0.11 0.15 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.44 2pgg h HIS 758 N 0.40 0.88 0.00 1.25 2.76 -1.04 -2.81 115.15 116.59 2pgg h HIS 758 Ca 0.50 -0.22 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 2pgg h HIS 758 Cb 1.25 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 2pgg h HIS 758 CO -0.00 0.95 -0.31 0.87 -1.30 0.00 0.00 177.93 178.14 2pgg h LYS 759 N 0.56 0.00 -0.74 5.26 1.57 -0.87 -3.23 116.57 119.12 2pgg h LYS 759 Ca 0.08 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 2pgg h LYS 759 Cb 0.72 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 2pgg h LYS 759 CO 0.05 0.31 -0.33 1.03 -0.57 0.00 0.00 179.45 179.94 2pgg h SER 760 N 0.00 -1.17 -3.83 0.86 0.87 -0.95 -3.10 113.55 106.23 2pgg h SER 760 Ca -0.00 0.25 -0.75 0.00 -1.23 0.00 0.00 61.79 60.06 2pgg h SER 760 Cb 0.59 0.61 -0.30 0.00 -0.44 0.00 0.00 62.40 62.86 2pgg h SER 760 CO 0.04 -0.29 -0.01 -0.75 -0.53 0.00 0.00 176.83 175.29 2pgg s LYS 761 N -6.02 3.35 0.36 2.24 2.20 -1.22 -4.94 119.74 115.70 2pgg s LYS 761 Ca -0.14 -2.70 0.05 0.00 -0.36 0.00 0.00 55.97 52.81 2pgg s LYS 761 Cb 0.18 -4.18 0.67 0.00 -1.51 0.00 0.00 37.83 32.99 2pgg s LYS 761 CO 0.71 -1.25 1.94 -1.00 -0.36 0.00 0.00 175.35 175.40 2pgg h PRO 762 N 7.16 0.59 0.04 4.03 0.13 -1.76 -2.73 132.00 139.45 2pgg h PRO 762 Ca 0.09 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2pgg h PRO 762 Cb 0.96 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2pgg h PRO 762 CO 0.79 0.51 -0.02 0.38 -0.23 0.00 0.00 178.00 179.43 2pgg h ASP 763 N 0.58 -0.04 -2.56 1.44 2.03 -1.92 -3.42 116.42 112.52 2pgg h ASP 763 Ca 0.14 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.84 2pgg h ASP 763 Cb 0.16 0.01 -0.40 0.00 -0.83 0.00 0.00 39.33 38.26 2pgg h ASP 763 CO -0.01 0.00 -0.76 -0.67 -1.03 0.00 0.00 179.24 176.77 2pgg n ASP 764 N -2.30 1.81 -0.25 4.15 -0.08 -1.26 -4.97 116.55 113.65 2pgg n ASP 764 Ca -0.01 -2.96 -0.02 0.00 -1.51 0.00 0.00 54.79 50.30 2pgg n ASP 764 Cb 0.02 -0.67 0.18 0.00 2.34 0.00 0.00 41.12 42.99 2pgg n ASP 764 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2pgg h PRO 765 N 5.03 1.06 -0.97 -0.67 0.13 -1.75 -2.89 132.00 131.94 2pgg h PRO 765 Ca 0.18 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 65.02 2pgg h PRO 765 Cb 0.80 -0.22 -0.11 0.00 0.13 0.00 0.00 31.00 31.60 2pgg h PRO 765 CO 0.61 0.77 0.23 -0.25 -0.23 0.00 0.00 178.00 179.13 2pgg n ASP 766 N -4.36 3.26 0.15 1.44 8.00 -1.26 -4.53 116.55 119.24 2pgg n ASP 766 Ca 0.08 -2.62 -0.14 0.00 0.71 0.00 0.00 54.79 52.82 2pgg n ASP 766 Cb 0.09 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.47 2pgg n ASP 766 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pgg h ALA 767 N 1.78 -0.36 -3.24 2.24 0.00 -1.85 -1.78 119.26 116.03 2pgg h ALA 767 Ca 0.22 -0.16 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 2pgg h ALA 767 Cb 1.68 0.14 -0.39 0.00 0.00 0.00 0.00 17.79 19.22 2pgg h ALA 767 CO 0.42 -0.57 -0.76 0.34 0.00 0.00 0.00 179.25 178.68 2pgg s ASP 768 N -5.08 1.98 0.09 0.00 2.15 -1.26 -3.81 116.67 110.73 2pgg s ASP 768 Ca -0.15 -0.32 -0.23 0.00 0.43 0.00 0.00 52.55 52.28 2pgg s ASP 768 Cb 0.03 -0.45 -0.15 0.00 -0.30 0.00 0.00 42.92 42.05 2pgg s ASP 768 CO 0.59 -0.24 1.73 -0.25 -0.17 0.00 0.00 175.17 176.82 2pgg h TRP 769 N 8.32 -0.00 -0.14 -5.34 2.91 -1.05 -2.17 115.95 118.47 2pgg h TRP 769 Ca -0.18 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.88 2pgg h TRP 769 Cb 1.13 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.77 2pgg h TRP 769 CO 0.40 0.01 0.11 0.35 -1.03 0.00 0.00 178.44 178.28 2pgg h PHE 770 N -0.02 0.00 0.21 2.65 3.57 -1.84 -0.76 116.94 120.75 2pgg h PHE 770 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2pgg h PHE 770 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2pgg h PHE 770 CO -0.08 0.00 -0.10 1.49 -2.23 0.00 0.00 178.31 177.40 2pgg h GLU 771 N 0.00 -0.27 -0.31 1.11 4.22 -1.81 -2.38 114.58 115.14 2pgg h GLU 771 Ca 0.07 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.61 2pgg h GLU 771 Cb 0.29 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2pgg h GLU 771 CO -0.00 -0.18 0.43 0.00 -2.18 0.00 0.00 179.01 177.08 2pgg h ARG 772 N -0.47 0.00 0.22 1.92 2.47 -1.17 -1.73 114.38 115.62 2pgg h ARG 772 Ca -0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2pgg h ARG 772 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2pgg h ARG 772 CO 0.05 0.00 -0.11 1.03 0.56 0.00 0.00 179.97 181.50 2pgg h SER 773 N 0.00 -0.26 -0.73 7.04 0.87 -1.14 -1.64 113.55 117.69 2pgg h SER 773 Ca 0.15 -0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2pgg h SER 773 Cb 1.00 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 2pgg h SER 773 CO -0.00 0.26 0.48 -0.33 -0.53 0.00 0.00 176.83 176.71 2pgg h GLU 774 N -1.00 0.66 0.42 2.24 4.39 -0.83 -1.70 114.58 118.76 2pgg h GLU 774 Ca -0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2pgg h GLU 774 Cb 0.42 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2pgg h GLU 774 CO 0.05 0.44 -0.20 1.15 -1.16 0.00 0.00 179.01 179.28 2pgg h THR 775 N 0.68 0.47 -0.90 1.13 2.02 -1.41 -3.07 112.91 111.84 2pgg h THR 775 Ca 0.33 -0.52 0.18 0.00 0.77 0.00 0.00 66.41 67.17 2pgg h THR 775 Cb 0.40 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 2pgg h THR 775 CO -0.12 0.08 0.58 0.25 0.37 0.00 0.00 175.52 176.68 2pgg h LEU 776 N -0.91 0.53 -1.35 2.58 5.85 -0.89 0.11 115.31 121.22 2pgg h LEU 776 Ca -0.06 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2pgg h LEU 776 Cb 0.56 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2pgg h LEU 776 CO 0.10 0.23 -0.01 0.28 -0.34 0.00 0.00 178.44 178.70 2pgg h SER 777 N 0.54 0.39 0.02 1.25 0.02 -1.29 -0.26 113.55 114.22 2pgg h SER 777 Ca 0.46 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2pgg h SER 777 Cb 0.96 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2pgg h SER 777 CO -0.20 0.46 -0.01 0.44 -1.14 0.00 0.00 176.83 176.38 2pgg h ASP 778 N 0.41 -0.02 -0.64 3.07 3.32 -0.71 -2.43 116.42 119.42 2pgg h ASP 778 Ca 0.09 -0.45 0.09 0.00 0.02 0.00 0.00 57.03 56.78 2pgg h ASP 778 Cb 0.28 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2pgg h ASP 778 CO 0.01 0.45 0.27 -0.07 -1.72 0.00 0.00 179.24 178.18 2pgg h LEU 779 N -0.49 0.32 -0.85 1.55 3.38 -1.06 0.79 115.31 118.94 2pgg h LEU 779 Ca -0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2pgg h LEU 779 Cb 0.47 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2pgg h LEU 779 CO 0.00 0.18 0.56 -0.07 0.09 0.00 0.00 178.44 179.21 2pgg h LEU 780 N 0.48 0.97 -0.75 1.67 3.38 -1.04 -0.98 115.31 119.03 2pgg h LEU 780 Ca 0.32 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2pgg h LEU 780 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2pgg h LEU 780 CO -0.28 0.70 -0.58 -0.33 0.09 0.00 0.00 178.44 178.03 2pgg h GLU 781 N 1.14 0.00 -0.51 1.13 5.08 -0.80 -0.96 114.58 119.66 2pgg h GLU 781 Ca 0.31 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2pgg h GLU 781 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2pgg h GLU 781 CO -0.07 0.58 -0.14 0.87 -1.00 0.00 0.00 179.01 179.24 2pgg h LYS 782 N 0.00 0.99 -0.04 2.33 1.79 -0.14 -1.84 116.57 119.66 2pgg h LYS 782 Ca -0.01 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2pgg h LYS 782 Cb 1.09 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2pgg h LYS 782 CO 0.08 1.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.50 2pgg n ALA 783 N -2.50 2.60 -3.93 3.86 0.00 -0.44 -4.93 120.51 115.16 2pgg n ALA 783 Ca 0.01 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 2pgg n ALA 783 Cb 0.42 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.61 2pgg n ALA 783 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pgg n ASP 784 N -0.26 -4.54 -0.35 0.00 8.00 -0.48 -4.84 116.55 114.09 2pgg n ASP 784 Ca 0.19 -0.79 0.04 0.00 0.71 0.00 0.00 54.79 54.94 2pgg n ASP 784 Cb 0.24 -3.64 0.06 0.00 -0.02 0.00 0.00 41.12 37.76 2pgg n ASP 784 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2pgg n ILE 785 N -4.59 0.40 -2.79 0.53 -5.35 -0.53 -4.98 119.36 102.05 2pgg n ILE 785 Ca 0.05 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 2pgg n ILE 785 Cb 0.52 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 2pgg n ILE 785 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pgg s ALA 786 N -0.77 3.60 0.89 -1.28 0.00 -1.16 -0.25 121.76 122.79 2pgg s ALA 786 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 2pgg s ALA 786 Cb 0.07 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.95 2pgg s ALA 786 CO 0.10 -0.85 1.16 -1.12 0.00 0.00 0.00 175.76 175.05 2pgg s SER 787 N 1.22 3.06 0.44 0.00 0.01 -0.78 -4.80 113.70 112.84 2pgg s SER 787 Ca 0.40 2.23 -0.20 0.00 1.31 0.00 0.00 55.95 59.69 2pgg s SER 787 Cb -0.16 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 2pgg s SER 787 CO 0.10 -3.02 0.95 -0.54 0.41 0.00 0.00 173.24 171.14 2pgg s LYS 788 N -4.55 4.17 0.00 12.44 1.02 -1.26 -4.96 119.74 126.61 2pgg s LYS 788 Ca 0.68 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.74 2pgg s LYS 788 Cb -0.24 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2pgg s LYS 788 CO 0.56 -0.07 0.41 0.28 -0.92 0.00 0.00 175.35 175.61 2pgg n VAL 789 N -0.82 0.00 -1.08 3.17 0.31 -1.26 -0.83 118.33 117.83 2pgg n VAL 789 Ca 0.07 0.64 -0.24 0.00 -0.01 0.00 0.00 64.34 64.80 2pgg n VAL 789 Cb 0.54 -0.87 0.05 0.00 -0.91 0.00 0.00 33.84 32.65 2pgg n VAL 789 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pgg n ALA 790 N -2.08 5.61 -2.80 3.52 0.00 -1.26 -4.41 120.51 119.09 2pgg n ALA 790 Ca 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 53.44 50.97 2pgg n ALA 790 Cb 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 19.45 17.98 2pgg n ALA 790 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2pgg n HIS 791 N -0.10 -2.10 -1.22 0.00 -0.00 -0.01 -5.05 115.22 106.74 2pgg n HIS 791 Ca 0.43 -2.41 -0.29 0.00 -0.00 0.00 0.00 57.72 55.44 2pgg n HIS 791 Cb 0.60 1.19 0.20 0.00 -0.00 0.00 0.00 29.99 31.98 2pgg n HIS 791 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2pgg s SER 792 N -1.54 2.03 0.26 0.26 1.04 -1.25 -4.01 113.70 110.49 2pgg s SER 792 Ca 0.25 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 2pgg s SER 792 Cb 0.33 -1.33 0.36 0.00 0.10 0.00 0.00 66.02 65.47 2pgg s SER 792 CO -0.06 -3.46 1.89 0.00 0.98 0.00 0.00 173.24 172.59 2pgg h ALA 793 N -2.12 1.32 -0.11 5.32 0.00 -1.77 -2.36 119.26 119.53 2pgg h ALA 793 Ca -0.50 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2pgg h ALA 793 Cb 1.31 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2pgg h ALA 793 CO 0.48 0.46 -0.12 -0.07 0.00 0.00 0.00 179.25 180.00 2pgg h LEU 794 N 1.18 -0.38 -0.88 0.00 3.38 -1.89 -1.32 115.31 115.40 2pgg h LEU 794 Ca 0.41 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2pgg h LEU 794 Cb 0.09 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2pgg h LEU 794 CO -0.15 -0.16 0.57 0.58 0.09 0.00 0.00 178.44 179.37 2pgg h VAL 795 N -0.15 1.23 -0.47 1.22 2.07 -1.83 -0.25 116.25 118.07 2pgg h VAL 795 Ca 0.08 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2pgg h VAL 795 Cb 0.27 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2pgg h VAL 795 CO -0.21 0.23 0.31 -0.33 0.02 0.00 0.00 177.57 177.59 2pgg h GLU 796 N 1.20 0.61 -0.33 1.57 5.08 -1.01 -0.77 114.58 120.93 2pgg h GLU 796 Ca 0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2pgg h GLU 796 Cb -0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2pgg h GLU 796 CO -0.07 0.41 0.14 1.15 -1.00 0.00 0.00 179.01 179.63 2pgg h THR 797 N 0.63 1.18 -0.85 1.13 2.02 -0.68 -1.41 112.91 114.94 2pgg h THR 797 Ca 0.18 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2pgg h THR 797 Cb -0.06 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2pgg h THR 797 CO -0.05 0.20 0.49 0.28 0.37 0.00 0.00 175.52 176.81 2pgg h SER 798 N 0.39 1.03 -0.30 4.18 0.02 -0.77 -1.42 113.55 116.69 2pgg h SER 798 Ca 0.11 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 2pgg h SER 798 Cb 0.18 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2pgg h SER 798 CO -0.01 0.81 -0.33 0.44 -1.14 0.00 0.00 176.83 176.60 2pgg h ASP 799 N 1.17 0.86 -0.67 3.07 3.32 -0.97 -2.95 116.42 120.25 2pgg h ASP 799 Ca 0.30 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 2pgg h ASP 799 Cb -0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2pgg h ASP 799 CO -0.05 1.11 0.21 0.00 -1.72 0.00 0.00 179.24 178.79 2pgg h ALA 800 N 0.93 0.88 0.00 3.45 0.00 -0.75 0.86 119.26 124.63 2pgg h ALA 800 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2pgg h ALA 800 Cb 0.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2pgg h ALA 800 CO 0.08 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.65 2pgg h LEU 801 N 0.98 0.00 0.02 0.00 3.38 -1.21 -2.97 115.31 115.52 2pgg h LEU 801 Ca 0.22 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.86 2pgg h LEU 801 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2pgg h LEU 801 CO -0.01 0.18 -1.94 1.21 0.09 0.00 0.00 178.44 177.97 2pgg n GLU 802 N -3.96 0.67 -1.48 1.13 2.13 -1.06 -4.70 120.64 113.37 2pgg n GLU 802 Ca -0.02 0.22 -0.55 0.00 0.66 0.00 0.00 57.16 57.48 2pgg n GLU 802 Cb 0.26 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 30.20 2pgg n GLU 802 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pgg n ALA 803 N -2.72 -3.16 -0.50 4.31 0.00 0.27 -4.92 120.51 113.79 2pgg n ALA 803 Ca -0.25 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2pgg n ALA 803 Cb 1.07 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2pgg n ALA 803 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78