#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2s s PHE 3 N 0.00 3.25 -0.09 1.61 5.36 -1.25 -4.79 117.98 122.07 2x2s s PHE 3 Ca 0.00 1.36 0.13 0.00 -0.96 0.00 0.00 56.93 57.46 2x2s s PHE 3 Cb 0.00 -3.32 0.19 0.00 -0.34 0.00 0.00 43.02 39.55 2x2s s PHE 3 CO 0.00 -0.82 1.08 0.36 -1.46 0.00 0.00 175.22 174.39 2x2s n LYS 4 N 5.86 1.28 0.00 10.12 2.85 -1.26 -5.06 118.16 131.95 2x2s n LYS 4 Ca 0.11 -2.12 0.00 0.00 -1.05 0.00 0.00 58.31 55.26 2x2s n LYS 4 Cb 0.46 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2x2s n LYS 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2x2s n GLY 5 N -1.04 0.70 3.76 2.58 0.00 -1.26 -4.93 105.19 105.00 2x2s n GLY 5 Ca 0.11 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 2x2s n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x2s s VAL 6 N 0.00 2.13 0.00 1.61 -7.23 -1.26 -4.89 120.40 110.76 2x2s s VAL 6 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2x2s s VAL 6 Cb 0.00 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2x2s s VAL 6 CO 0.00 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2x2s n GLY 7 N 0.65 0.23 3.58 2.32 0.00 -0.98 -4.99 105.19 106.00 2x2s n GLY 7 Ca 0.08 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2x2s n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2s s THR 8 N -2.00 4.56 0.05 2.61 2.01 -1.26 -0.57 115.64 121.03 2x2s s THR 8 Ca 0.00 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2x2s s THR 8 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2x2s s THR 8 CO 0.00 0.44 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.02 2x2s s TYR 9 N 0.61 0.52 -0.05 4.92 2.02 -0.09 -2.82 117.35 122.46 2x2s s TYR 9 Ca 0.02 -0.83 -0.23 0.00 -0.37 0.00 0.00 57.07 55.67 2x2s s TYR 9 Cb -0.13 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2x2s s TYR 9 CO 0.02 -0.25 0.69 -1.21 -1.57 0.00 0.00 175.55 173.22 2x2s s GLU 10 N -2.93 4.43 -0.31 -0.62 2.02 0.40 -1.06 118.70 120.62 2x2s s GLU 10 Ca -0.01 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 55.76 2x2s s GLU 10 Cb 0.00 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.80 2x2s s GLU 10 CO -0.05 0.11 0.15 0.42 0.02 0.00 0.00 175.26 175.90 2x2s s ILE 11 N 0.64 4.51 -0.16 -1.63 1.01 -1.26 -1.23 121.20 123.07 2x2s s ILE 11 Ca 0.37 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2x2s s ILE 11 Cb -0.18 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.98 2x2s s ILE 11 CO 0.18 0.05 -0.17 -0.69 0.00 0.00 0.00 174.94 174.31 2x2s s VAL 12 N 1.59 2.44 0.25 2.92 1.01 -0.05 -0.68 120.40 127.88 2x2s s VAL 12 Ca 0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2x2s s VAL 12 Cb -0.17 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 2x2s s VAL 12 CO 0.06 0.52 1.26 -2.16 0.00 0.00 0.00 175.10 174.78 2x2s s PRO 13 N 0.98 4.43 0.29 2.72 0.04 -1.26 -0.33 135.00 141.88 2x2s s PRO 13 Ca -0.02 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2x2s s PRO 13 Cb -0.15 -3.16 0.52 0.00 0.04 0.00 0.00 34.50 31.75 2x2s s PRO 13 CO -0.04 -0.14 1.89 -0.92 0.04 0.00 0.00 177.00 177.83 2x2s h TYR 14 N 4.55 1.08 0.00 0.56 3.20 -1.44 -1.14 116.97 123.79 2x2s h TYR 14 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2x2s h TYR 14 Cb 1.22 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2x2s h TYR 14 CO 0.60 0.54 -0.13 1.04 -1.64 0.00 0.00 178.16 178.56 2x2s n GLN 15 N -4.52 0.10 -3.14 1.82 6.02 -1.26 -4.41 117.38 111.99 2x2s n GLN 15 Ca 0.15 0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.99 2x2s n GLN 15 Cb 0.24 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 2x2s n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2x2s n ALA 16 N -1.61 1.97 0.30 -1.58 0.00 -0.44 -4.85 120.51 114.30 2x2s n ALA 16 Ca 0.06 -3.17 0.09 0.00 0.00 0.00 0.00 53.44 50.42 2x2s n ALA 16 Cb 0.37 -0.87 0.41 0.00 0.00 0.00 0.00 19.45 19.36 2x2s n ALA 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2x2s n PRO 17 N 1.40 0.11 0.00 0.00 -0.04 -1.16 -1.30 135.00 134.01 2x2s n PRO 17 Ca 0.20 0.45 0.15 0.00 -0.04 0.00 0.00 63.50 64.26 2x2s n PRO 17 Cb 0.55 -1.76 0.81 0.00 -0.04 0.00 0.00 33.50 33.05 2x2s n PRO 17 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x2s n SER 18 N -1.99 0.47 -4.68 3.54 3.41 -1.26 -4.85 113.62 108.26 2x2s n SER 18 Ca 0.01 -1.13 -0.26 0.00 -0.26 0.00 0.00 58.87 57.24 2x2s n SER 18 Cb 0.14 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 2x2s n SER 18 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2x2s s LEU 19 N -2.02 3.02 0.29 1.04 1.43 -0.42 -1.30 118.68 120.72 2x2s s LEU 19 Ca 0.44 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 2x2s s LEU 19 Cb 0.22 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2x2s s LEU 19 CO 0.36 -0.44 0.27 0.54 0.23 0.00 0.00 176.35 177.32 2x2s s ASN 20 N -3.81 1.04 -0.10 2.29 2.20 0.28 -4.20 114.94 112.65 2x2s s ASN 20 Ca 0.38 -1.58 -0.30 0.00 -0.94 0.00 0.00 52.86 50.43 2x2s s ASN 20 Cb 0.05 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.80 2x2s s ASN 20 CO 0.21 -1.04 1.08 -0.22 -2.94 0.00 0.00 177.10 174.19 2x2s s LEU 21 N -3.28 4.24 -0.05 3.54 2.96 0.14 -1.47 118.68 124.77 2x2s s LEU 21 Ca 0.38 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 2x2s s LEU 21 Cb 0.03 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.19 2x2s s LEU 21 CO 0.21 -0.52 -0.02 0.21 -1.32 0.00 0.00 176.35 174.91 2x2s s ASN 22 N 1.27 1.00 -0.42 3.68 3.84 -0.09 -4.46 114.94 119.76 2x2s s ASN 22 Ca 0.51 -0.08 -0.29 0.00 0.21 0.00 0.00 52.86 53.21 2x2s s ASN 22 Cb -0.20 -0.38 0.02 0.00 -0.55 0.00 0.00 41.25 40.14 2x2s s ASN 22 CO 0.18 -0.11 1.24 0.00 -2.79 0.00 0.00 177.10 175.62 2x2s s ALA 23 N 1.29 3.19 0.12 1.71 0.00 -0.59 -1.50 121.76 125.97 2x2s s ALA 23 Ca -0.06 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 2x2s s ALA 23 Cb -0.13 -3.87 -0.11 0.00 0.00 0.00 0.00 23.12 19.01 2x2s s ALA 23 CO -0.02 -2.15 1.85 1.87 0.00 0.00 0.00 175.76 177.30 2x2s n TRP 24 N 8.02 2.62 0.00 0.00 -0.00 -0.14 -1.69 117.44 126.25 2x2s n TRP 24 Ca 0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 2x2s n TRP 24 Cb 0.48 -2.74 0.00 0.00 -0.00 0.00 0.00 31.31 29.06 2x2s n TRP 24 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2x2s n GLU 25 N 5.75 0.00 -3.78 5.87 1.02 -1.26 -4.56 120.64 123.67 2x2s n GLU 25 Ca 0.18 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.06 2x2s n GLU 25 Cb 0.37 -1.12 0.04 0.00 -0.02 0.00 0.00 31.44 30.72 2x2s n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x2s n GLY 26 N -2.00 -0.44 3.95 0.62 0.00 -0.68 -4.99 105.19 101.65 2x2s n GLY 26 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2x2s n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2s s LYS 27 N -6.34 3.13 0.39 1.61 1.02 -1.26 -4.95 119.74 113.34 2x2s s LYS 27 Ca 0.44 -0.44 0.23 0.00 0.02 0.00 0.00 55.97 56.22 2x2s s LYS 27 Cb -0.21 -2.56 0.28 0.00 -0.52 0.00 0.00 37.83 34.81 2x2s s LYS 27 CO 0.80 -0.23 1.50 -0.07 -0.92 0.00 0.00 175.35 176.44 2x2s h LEU 28 N 0.42 0.00 -9.85 3.17 3.38 -1.94 -3.44 115.31 107.06 2x2s h LEU 28 Ca -0.47 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.97 2x2s h LEU 28 Cb 1.25 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.08 2x2s h LEU 28 CO 0.58 0.00 0.78 -0.70 0.09 0.00 0.00 178.44 179.19 2x2s s GLU 29 N -3.24 4.18 0.73 1.13 2.12 -1.26 -4.95 118.70 117.41 2x2s s GLU 29 Ca 0.06 2.47 -0.13 0.00 0.36 0.00 0.00 54.97 57.72 2x2s s GLU 29 Cb 0.06 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.46 2x2s s GLU 29 CO 0.69 -0.49 1.13 -1.25 -0.54 0.00 0.00 175.26 174.81 2x2s s PRO 30 N -1.24 2.35 0.00 4.30 0.04 -1.26 -4.35 135.00 134.84 2x2s s PRO 30 Ca 0.56 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2x2s s PRO 30 Cb -0.45 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2x2s s PRO 30 CO 0.53 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2x2s n GLY 31 N -0.42 0.98 3.69 0.56 0.00 -0.02 -4.90 105.19 105.09 2x2s n GLY 31 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2x2s n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2s n ALA 32 N -1.76 1.22 -1.98 4.61 0.00 -1.25 -4.55 120.51 116.79 2x2s n ALA 32 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 2x2s n ALA 32 Cb 0.00 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.22 2x2s n ALA 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2x2s s VAL 33 N -1.18 4.17 -0.08 0.00 -7.23 -1.26 -0.75 120.40 114.07 2x2s s VAL 33 Ca 0.60 0.48 0.04 0.00 -1.81 0.00 0.00 61.98 61.29 2x2s s VAL 33 Cb -0.53 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 32.73 2x2s s VAL 33 CO 0.59 -0.81 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.66 2x2s s VAL 34 N -3.13 2.28 0.17 1.32 1.01 -0.89 -0.96 120.40 120.21 2x2s s VAL 34 Ca 0.54 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2x2s s VAL 34 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2x2s s VAL 34 CO 0.50 0.56 0.07 -0.13 0.00 0.00 0.00 175.10 176.10 2x2s s ARG 35 N 0.02 1.09 0.52 2.72 0.52 -0.56 -2.07 118.95 121.18 2x2s s ARG 35 Ca -0.08 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 53.41 2x2s s ARG 35 Cb -0.15 0.07 -0.07 0.00 0.52 0.00 0.00 34.95 35.32 2x2s s ARG 35 CO 0.05 -0.26 1.02 0.95 0.02 0.00 0.00 175.30 177.08 2x2s s THR 36 N -3.95 4.07 0.03 0.02 -4.23 -0.13 -0.91 115.64 110.54 2x2s s THR 36 Ca 0.29 1.11 -0.25 0.00 -1.18 0.00 0.00 61.69 61.66 2x2s s THR 36 Cb 0.07 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.45 2x2s s THR 36 CO 0.06 -0.45 0.58 -0.47 -0.54 0.00 0.00 174.62 173.80 2x2s s TYR 37 N -2.32 -0.51 0.28 3.99 5.04 -0.54 -0.31 117.35 122.98 2x2s s TYR 37 Ca 0.63 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 55.62 2x2s s TYR 37 Cb -0.14 0.39 -0.13 0.00 0.35 0.00 0.00 41.96 42.43 2x2s s TYR 37 CO 0.27 -0.65 1.34 -2.37 -1.34 0.00 0.00 175.55 172.80 2x2s n THR 38 N 0.49 1.39 -0.37 4.34 5.66 -1.26 -0.55 114.28 123.99 2x2s n THR 38 Ca -0.18 -0.35 -0.01 0.00 -3.05 0.00 0.00 64.05 60.46 2x2s n THR 38 Cb 0.60 -1.48 0.13 0.00 -1.55 0.00 0.00 70.33 68.03 2x2s n THR 38 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2x2s h ARG 39 N 3.48 1.23 -1.34 1.09 3.08 -1.47 -3.43 114.38 117.01 2x2s h ARG 39 Ca -0.45 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 59.69 2x2s h ARG 39 Cb 1.28 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 2x2s h ARG 39 CO 0.70 0.81 -0.22 0.41 -1.07 0.00 0.00 179.97 180.61 2x2s n GLY 40 N -1.37 -1.53 0.21 0.04 0.00 -1.26 -4.24 105.19 97.04 2x2s n GLY 40 Ca 0.13 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.86 2x2s n GLY 40 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2x2s h ASP 41 N -0.56 0.00 -4.19 1.61 3.32 -2.01 -3.44 116.42 111.16 2x2s h ASP 41 Ca 0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 2x2s h ASP 41 Cb 0.55 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.86 2x2s h ASP 41 CO 0.00 0.23 -0.43 -0.54 -1.72 0.00 0.00 179.24 176.78 2x2s s LYS 42 N -3.42 0.37 0.35 3.56 3.01 -1.26 -5.15 119.74 117.19 2x2s s LYS 42 Ca 0.02 0.12 -0.25 0.00 -1.01 0.00 0.00 55.97 54.85 2x2s s LYS 42 Cb 0.09 0.17 -0.09 0.00 -1.01 0.00 0.00 37.83 36.98 2x2s s LYS 42 CO 0.66 -0.07 1.00 -1.25 0.51 0.00 0.00 175.35 176.20 2x2s s PRO 43 N -0.35 4.42 0.56 -1.68 0.04 -1.26 -5.04 135.00 131.68 2x2s s PRO 43 Ca -0.05 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 2x2s s PRO 43 Cb -0.03 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 2x2s s PRO 43 CO 0.01 0.10 1.00 -1.54 0.04 0.00 0.00 177.00 176.61 2x2s s SER 44 N -1.53 6.45 0.49 6.66 1.04 -1.26 -4.97 113.70 120.57 2x2s s SER 44 Ca 0.53 1.48 0.25 0.00 0.48 0.00 0.00 55.95 58.69 2x2s s SER 44 Cb -0.21 -2.48 1.25 0.00 0.10 0.00 0.00 66.02 64.68 2x2s s SER 44 CO 0.27 -0.70 2.00 0.44 0.98 0.00 0.00 173.24 176.22 2x2s h ASP 45 N 0.39 0.00 0.51 7.02 3.32 -1.96 -0.19 116.42 125.51 2x2s h ASP 45 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2x2s h ASP 45 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2x2s h ASP 45 CO 0.62 0.17 0.00 -0.46 -1.72 0.00 0.00 179.24 177.85 2x2s n ASN 46 N -3.68 0.00 -0.47 6.45 6.94 -1.26 -2.53 115.26 120.71 2x2s n ASN 46 Ca -0.01 0.33 0.07 0.00 -0.02 0.00 0.00 54.58 54.95 2x2s n ASN 46 Cb 0.29 -0.42 0.19 0.00 -2.36 0.00 0.00 39.78 37.48 2x2s n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x2s n ALA 47 N -1.42 2.91 -2.37 -2.53 0.00 -0.09 -1.54 120.51 115.47 2x2s n ALA 47 Ca 0.06 -2.74 -0.30 0.00 0.00 0.00 0.00 53.44 50.46 2x2s n ALA 47 Cb 0.18 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 2x2s n ALA 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2x2s s LYS 48 N -2.98 1.59 -0.03 0.00 1.02 -1.06 -4.56 119.74 113.72 2x2s s LYS 48 Ca 0.37 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2x2s s LYS 48 Cb 0.32 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 2x2s s LYS 48 CO 0.02 0.48 -0.02 -1.58 -0.92 0.00 0.00 175.35 173.33 2x2s s TRP 49 N -0.94 0.46 -0.30 3.18 0.52 -0.22 -1.14 118.94 120.50 2x2s s TRP 49 Ca 0.13 -0.07 -0.19 0.00 0.02 0.00 0.00 56.10 55.98 2x2s s TRP 49 Cb -0.10 -0.48 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 2x2s s TRP 49 CO 0.04 -0.14 0.59 -1.14 0.02 0.00 0.00 176.95 176.33 2x2s s GLN 50 N 0.88 3.90 -0.26 4.98 2.00 0.40 -0.91 119.66 130.64 2x2s s GLN 50 Ca -0.10 0.25 -0.26 0.00 -2.00 0.00 0.00 55.36 53.25 2x2s s GLN 50 Cb -0.13 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 29.96 2x2s s GLN 50 CO -0.01 -0.53 0.90 0.08 -0.50 0.00 0.00 175.29 175.23 2x2s s VAL 51 N 2.52 4.75 -0.12 1.34 1.01 0.26 -0.25 120.40 129.91 2x2s s VAL 51 Ca 0.24 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.84 2x2s s VAL 51 Cb -0.15 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2x2s s VAL 51 CO 0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 175.10 174.88 2x2s s ALA 52 N 3.06 1.73 0.01 5.51 0.00 -0.35 -2.32 121.76 129.42 2x2s s ALA 52 Ca 0.38 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 2x2s s ALA 52 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2x2s s ALA 52 CO 0.09 -0.21 1.13 -1.17 0.00 0.00 0.00 175.76 175.60 2x2s s LEU 53 N 1.21 4.35 -0.01 0.00 2.96 -1.26 -0.97 118.68 124.96 2x2s s LEU 53 Ca -0.02 1.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 2x2s s LEU 53 Cb -0.14 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2x2s s LEU 53 CO -0.05 -0.43 0.07 1.33 -1.32 0.00 0.00 176.35 175.95 2x2s n VAL 54 N 4.07 0.02 -3.54 1.68 0.24 -0.18 -4.94 118.33 115.69 2x2s n VAL 54 Ca 0.08 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 2x2s n VAL 54 Cb 0.48 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.07 2x2s n VAL 54 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x2s s ALA 55 N -2.23 -1.63 0.00 2.33 0.00 -1.12 -5.00 121.76 114.10 2x2s s ALA 55 Ca -0.01 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2x2s s ALA 55 Cb 0.02 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2x2s s ALA 55 CO 0.15 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2x2s n GLY 56 N 0.87 -0.39 3.58 0.00 0.00 -1.26 -0.69 105.19 107.31 2x2s n GLY 56 Ca -0.19 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 2x2s n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x2s s SER 57 N -4.00 -0.42 0.09 1.61 1.04 -1.26 -4.82 113.70 105.93 2x2s s SER 57 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2x2s s SER 57 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2x2s s SER 57 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2x2s n GLY 58 N -0.39 -1.33 0.26 7.32 0.00 -1.26 -3.15 105.19 106.63 2x2s n GLY 58 Ca -0.11 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.71 2x2s n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2x2s h ASP 59 N 0.00 0.01 -0.02 1.61 3.32 -2.02 -0.73 116.42 118.59 2x2s h ASP 59 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x2s h ASP 59 Cb 0.00 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2x2s h ASP 59 CO 0.00 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.01 2x2s n SER 60 N -4.51 0.79 -4.69 6.45 3.41 -1.25 -4.40 113.62 109.42 2x2s n SER 60 Ca -0.03 -1.32 -0.37 0.00 -0.26 0.00 0.00 58.87 56.89 2x2s n SER 60 Cb 0.11 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2x2s n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x2s n ALA 61 N -0.36 0.76 -2.74 7.33 0.00 -0.28 -4.77 120.51 120.45 2x2s n ALA 61 Ca 0.20 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 2x2s n ALA 61 Cb 0.23 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.29 2x2s n ALA 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2x2s s GLU 62 N -3.17 2.82 0.08 0.00 2.02 0.14 -4.39 118.70 116.20 2x2s s GLU 62 Ca 0.80 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 55.12 2x2s s GLU 62 Cb -0.39 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2x2s s GLU 62 CO 0.43 0.43 -0.18 0.71 0.02 0.00 0.00 175.26 176.67 2x2s s TYR 63 N -0.24 1.52 0.22 1.61 2.02 0.48 -1.01 117.35 121.95 2x2s s TYR 63 Ca 0.00 -0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 2x2s s TYR 63 Cb -0.13 -0.85 -0.07 0.00 -0.40 0.00 0.00 41.96 40.50 2x2s s TYR 63 CO 0.03 0.12 0.59 -0.51 -1.57 0.00 0.00 175.55 174.22 2x2s s LEU 64 N -1.71 4.22 -0.35 -1.29 1.43 -0.14 -0.87 118.68 119.96 2x2s s LEU 64 Ca 0.03 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 2x2s s LEU 64 Cb -0.10 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.61 2x2s s LEU 64 CO 0.03 -0.03 0.07 -0.63 0.23 0.00 0.00 176.35 176.01 2x2s s ILE 65 N -1.71 2.36 -0.22 -0.59 1.01 -1.26 -1.21 121.20 119.58 2x2s s ILE 65 Ca 0.45 -2.35 -0.09 0.00 0.00 0.00 0.00 60.65 58.66 2x2s s ILE 65 Cb -0.13 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 2x2s s ILE 65 CO 0.20 -0.61 0.12 -0.63 0.00 0.00 0.00 174.94 174.01 2x2s s ILE 66 N 0.89 5.09 0.18 2.92 1.01 0.66 -0.81 121.20 131.13 2x2s s ILE 66 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 2x2s s ILE 66 Cb -0.19 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2x2s s ILE 66 CO -0.08 0.39 1.52 0.21 0.00 0.00 0.00 174.94 176.98 2x2s s ASN 67 N 0.80 6.63 0.28 3.58 3.84 0.19 -0.45 114.94 129.82 2x2s s ASN 67 Ca 0.06 2.59 0.03 0.00 0.21 0.00 0.00 52.86 55.75 2x2s s ASN 67 Cb -0.13 -2.60 0.42 0.00 -0.55 0.00 0.00 41.25 38.40 2x2s s ASN 67 CO 0.02 -0.78 1.72 0.58 -2.79 0.00 0.00 177.10 175.86 2x2s h VAL 68 N 3.95 1.27 0.00 -5.21 2.07 -1.20 -0.23 116.25 116.90 2x2s h VAL 68 Ca -0.43 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.77 2x2s h VAL 68 Cb 1.21 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2x2s h VAL 68 CO 0.88 0.40 -0.12 -0.74 0.02 0.00 0.00 177.57 178.02 2x2s h HIS 69 N 0.39 0.11 0.00 1.57 -0.00 -1.74 -3.39 115.15 112.09 2x2s h HIS 69 Ca 0.06 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2x2s h HIS 69 Cb 0.68 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 2x2s h HIS 69 CO 0.02 0.89 -1.66 -1.13 -0.00 0.00 0.00 177.93 176.06 2x2s n SER 70 N -4.60 0.37 0.00 3.26 3.41 -1.23 -4.97 113.62 109.86 2x2s n SER 70 Ca -0.10 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2x2s n SER 70 Cb 0.46 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 2x2s n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x2s n GLY 71 N 1.30 0.43 3.90 5.00 0.00 -0.10 -5.01 105.19 110.70 2x2s n GLY 71 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2x2s n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2x2s s TYR 72 N -2.04 3.55 -0.17 1.61 2.02 -1.26 -4.67 117.35 116.38 2x2s s TYR 72 Ca 0.00 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 57.49 2x2s s TYR 72 Cb 0.00 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 2x2s s TYR 72 CO 0.00 -0.27 0.13 -0.06 -1.57 0.00 0.00 175.55 173.77 2x2s s PHE 73 N -2.71 3.46 0.11 2.71 0.08 -1.25 -0.63 117.98 119.75 2x2s s PHE 73 Ca 0.48 0.38 -0.31 0.00 0.12 0.00 0.00 56.93 57.60 2x2s s PHE 73 Cb -0.10 -2.08 -0.11 0.00 -0.57 0.00 0.00 43.02 40.16 2x2s s PHE 73 CO 0.43 0.43 1.86 -0.11 -0.10 0.00 0.00 175.22 177.73 2x2s n LEU 74 N 3.02 4.07 -3.95 -0.37 7.94 0.01 -4.07 117.00 123.65 2x2s n LEU 74 Ca -0.17 0.98 -0.15 0.00 -1.11 0.00 0.00 56.01 55.55 2x2s n LEU 74 Cb 0.53 -1.54 -0.14 0.00 0.53 0.00 0.00 43.42 42.79 2x2s n LEU 74 CO 0.35 0.18 -0.39 -0.89 -1.11 0.00 0.00 177.39 175.53 2x2s s THR 75 N 2.92 0.35 -0.16 1.96 2.01 0.34 -4.52 115.64 118.54 2x2s s THR 75 Ca 0.83 -0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 2x2s s THR 75 Cb -0.48 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2x2s s THR 75 CO 0.38 0.06 0.36 0.00 -0.69 0.00 0.00 174.62 174.73 2x2s s ALA 76 N -0.19 3.55 -0.03 7.40 0.00 -0.79 -2.06 121.76 129.64 2x2s s ALA 76 Ca 0.01 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.68 2x2s s ALA 76 Cb -0.02 -2.51 -0.17 0.00 0.00 0.00 0.00 23.12 20.41 2x2s s ALA 76 CO -0.00 -0.02 0.22 0.25 0.00 0.00 0.00 175.76 176.20 2x2s n THR 77 N 3.78 0.11 -3.53 0.00 -2.24 -1.26 -4.82 114.28 106.32 2x2s n THR 77 Ca -0.10 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 2x2s n THR 77 Cb 0.52 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 2x2s n THR 77 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2x2s s LYS 78 N -2.71 1.06 0.33 -0.78 2.20 -1.26 -5.13 119.74 113.44 2x2s s LYS 78 Ca -0.04 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 2x2s s LYS 78 Cb 0.07 0.49 -0.11 0.00 -1.51 0.00 0.00 37.83 36.77 2x2s s LYS 78 CO 0.47 -0.36 1.50 -1.21 -0.36 0.00 0.00 175.35 175.39 2x2s s GLU 79 N -1.72 4.16 -1.33 4.03 2.02 -1.26 -3.22 118.70 121.38 2x2s s GLU 79 Ca -0.09 2.50 -0.03 0.00 0.02 0.00 0.00 54.97 57.38 2x2s s GLU 79 Cb -0.01 -3.01 -0.00 0.00 0.10 0.00 0.00 34.13 31.21 2x2s s GLU 79 CO 0.05 -0.51 0.58 -1.71 0.02 0.00 0.00 175.26 173.68 2x2s n ASN 80 N 1.26 -1.30 -3.86 -0.19 5.15 0.62 -4.97 115.26 111.96 2x2s n ASN 80 Ca 0.04 -0.93 -0.11 0.00 -0.60 0.00 0.00 54.58 52.98 2x2s n ASN 80 Cb 0.39 -3.50 -0.09 0.00 -0.53 0.00 0.00 39.78 36.05 2x2s n ASN 80 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2x2s s HIS 81 N -3.78 0.06 0.39 1.20 2.46 -1.03 -4.96 115.29 109.63 2x2s s HIS 81 Ca 0.06 -0.25 -0.27 0.00 0.47 0.00 0.00 55.06 55.07 2x2s s HIS 81 Cb -0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 32.58 32.28 2x2s s HIS 81 CO 0.85 -0.39 1.42 1.51 -2.47 0.00 0.00 174.74 175.67 2x2s n ILE 82 N 0.90 2.21 -2.32 0.89 3.06 -1.26 -1.18 119.36 121.66 2x2s n ILE 82 Ca -0.20 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.28 2x2s n ILE 82 Cb 0.58 -1.84 0.04 0.00 0.54 0.00 0.00 39.64 38.95 2x2s n ILE 82 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2x2s s VAL 83 N -1.14 3.38 0.29 9.51 -7.23 -0.13 -4.61 120.40 120.48 2x2s s VAL 83 Ca 0.56 -0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.61 2x2s s VAL 83 Cb -0.49 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2x2s s VAL 83 CO 0.62 -0.39 0.50 -0.94 -0.31 0.00 0.00 175.10 174.58 2x2s s SER 84 N -4.35 0.21 -0.63 4.85 1.04 -0.87 -2.09 113.70 111.86 2x2s s SER 84 Ca 0.55 -1.12 0.06 0.00 0.48 0.00 0.00 55.95 55.92 2x2s s SER 84 Cb -0.11 0.63 0.24 0.00 0.10 0.00 0.00 66.02 66.88 2x2s s SER 84 CO 0.45 -1.23 0.69 0.35 0.98 0.00 0.00 173.24 174.48 2x2s n THR 85 N -0.44 2.01 -1.32 2.02 -2.24 0.07 -0.50 114.28 113.87 2x2s n THR 85 Ca -0.01 -5.07 -0.29 0.00 -2.27 0.00 0.00 64.05 56.41 2x2s n THR 85 Cb 0.62 -2.10 0.15 0.00 -2.10 0.00 0.00 70.33 66.90 2x2s n THR 85 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2x2s s PRO 86 N -2.20 0.84 -0.01 -0.78 0.04 -1.26 -0.84 135.00 130.79 2x2s s PRO 86 Ca 0.37 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2x2s s PRO 86 Cb 0.12 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2x2s s PRO 86 CO -0.05 -2.44 1.22 -1.14 0.04 0.00 0.00 177.00 174.63 2x2s s GLN 87 N -5.08 4.37 -0.01 4.56 0.74 -1.26 -3.89 119.66 119.09 2x2s s GLN 87 Ca 0.64 1.73 -0.27 0.00 0.05 0.00 0.00 55.36 57.51 2x2s s GLN 87 Cb -0.17 -3.50 0.06 0.00 1.10 0.00 0.00 33.01 30.51 2x2s s GLN 87 CO 0.56 -0.40 0.61 -1.50 -0.55 0.00 0.00 175.29 174.01 2x2s s ILE 88 N 1.88 0.01 0.40 -2.34 2.07 -1.26 -5.07 121.20 116.89 2x2s s ILE 88 Ca 0.58 -0.08 -0.26 0.00 -1.41 0.00 0.00 60.65 59.47 2x2s s ILE 88 Cb -0.27 -0.96 -0.09 0.00 0.13 0.00 0.00 42.46 41.27 2x2s s ILE 88 CO 0.25 -0.04 1.30 -0.55 -1.91 0.00 0.00 174.94 173.99 2x2s s SER 89 N -1.47 6.35 0.02 4.50 0.15 -1.26 -4.91 113.70 117.08 2x2s s SER 89 Ca -0.09 2.66 0.13 0.00 0.70 0.00 0.00 55.95 59.35 2x2s s SER 89 Cb -0.01 -2.64 0.57 0.00 -1.71 0.00 0.00 66.02 62.23 2x2s s SER 89 CO 0.05 -0.82 1.42 -0.81 1.20 0.00 0.00 173.24 174.29 2x2s n PRO 90 N 0.19 0.01 0.00 5.44 -0.04 -1.26 -2.09 135.00 137.25 2x2s n PRO 90 Ca 0.03 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2x2s n PRO 90 Cb 0.43 -1.53 0.29 0.00 -0.04 0.00 0.00 33.50 32.65 2x2s n PRO 90 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2x2s n THR 91 N -1.56 0.00 -2.30 0.52 -2.24 -1.26 -4.91 114.28 102.54 2x2s n THR 91 Ca 0.03 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 2x2s n THR 91 Cb 0.15 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2x2s n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x2s s ASP 92 N -2.42 6.88 0.58 3.42 -1.08 -0.89 -4.90 116.67 118.26 2x2s s ASP 92 Ca 0.25 1.90 0.29 0.00 -0.52 0.00 0.00 52.55 54.47 2x2s s ASP 92 Cb 0.19 -2.54 1.76 0.00 -1.46 0.00 0.00 42.92 40.87 2x2s s ASP 92 CO 0.50 -0.77 2.23 -0.65 0.52 0.00 0.00 175.17 177.00 2x2s h PRO 93 N 8.35 0.00 0.00 4.34 0.11 -1.90 -1.61 132.00 141.28 2x2s h PRO 93 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2x2s h PRO 93 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2x2s h PRO 93 CO 0.94 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 2x2s n SER 94 N -3.84 0.40 -1.16 -2.05 3.41 -1.26 -1.78 113.62 107.35 2x2s n SER 94 Ca -0.03 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2x2s n SER 94 Cb 0.10 -0.68 0.23 0.00 -0.26 0.00 0.00 64.21 63.60 2x2s n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x2s n ALA 95 N -1.66 2.42 -2.52 7.33 0.00 -0.61 -1.88 120.51 123.60 2x2s n ALA 95 Ca 0.03 -1.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 2x2s n ALA 95 Cb 0.24 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.68 2x2s n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x2s s ARG 96 N -1.48 2.29 0.02 0.00 0.52 -0.73 -4.48 118.95 115.10 2x2s s ARG 96 Ca 0.39 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2x2s s ARG 96 Cb 0.23 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 2x2s s ARG 96 CO 0.32 0.57 -0.04 -1.58 0.02 0.00 0.00 175.30 174.59 2x2s s TRP 97 N -0.95 0.34 0.03 -0.53 0.52 -0.05 -0.63 118.94 117.68 2x2s s TRP 97 Ca 0.16 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.89 2x2s s TRP 97 Cb -0.11 -0.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.95 2x2s s TRP 97 CO 0.06 -0.12 0.05 0.95 0.02 0.00 0.00 176.95 177.92 2x2s s THR 98 N -1.10 4.46 -0.25 2.01 -4.23 0.22 -0.39 115.64 116.36 2x2s s THR 98 Ca -0.10 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2x2s s THR 98 Cb -0.08 -3.07 0.06 0.00 1.34 0.00 0.00 72.50 70.76 2x2s s THR 98 CO -0.00 0.27 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.64 2x2s s ILE 99 N -1.23 1.79 -0.02 2.99 1.01 -1.26 -0.86 121.20 123.62 2x2s s ILE 99 Ca 0.24 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.54 2x2s s ILE 99 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2x2s s ILE 99 CO 0.16 -0.08 -0.16 -0.54 0.00 0.00 0.00 174.94 174.32 2x2s s LYS 100 N 1.27 1.38 0.27 2.79 -0.14 -0.65 -4.86 119.74 119.81 2x2s s LYS 100 Ca -0.07 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 2x2s s LYS 100 Cb -0.19 -1.30 -0.14 0.00 -1.68 0.00 0.00 37.83 34.52 2x2s s LYS 100 CO -0.06 0.32 1.26 -2.30 -0.76 0.00 0.00 175.35 173.81 2x2s n PRO 101 N 2.80 1.79 0.04 -1.68 -0.02 -1.26 -0.32 135.00 136.35 2x2s n PRO 101 Ca -0.15 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 2x2s n PRO 101 Cb 0.54 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 2x2s n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x2s h ALA 102 N 3.19 0.62 -2.20 3.55 0.00 -1.23 -3.43 119.26 119.77 2x2s h ALA 102 Ca -0.44 -0.58 -0.41 0.00 0.00 0.00 0.00 54.91 53.48 2x2s h ALA 102 Cb 1.30 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 2x2s h ALA 102 CO 0.68 0.74 -0.71 0.95 0.00 0.00 0.00 179.25 180.91 2x2s s THR 103 N -3.73 1.46 0.69 0.00 -4.23 -1.26 -4.98 115.64 103.58 2x2s s THR 103 Ca -0.06 -2.13 -0.11 0.00 -1.18 0.00 0.00 61.69 58.21 2x2s s THR 103 Cb 0.11 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.85 2x2s s THR 103 CO 0.84 -0.55 1.06 0.42 -0.54 0.00 0.00 174.62 175.85 2x2s s THR 104 N -3.15 4.08 -1.20 3.99 -4.23 -1.26 -4.16 115.64 109.70 2x2s s THR 104 Ca 0.23 0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2x2s s THR 104 Cb 0.02 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2x2s s THR 104 CO 0.06 -0.88 0.30 1.41 -0.54 0.00 0.00 174.62 174.98 2x2s n HIS 105 N -3.10 -1.21 -3.53 3.99 8.25 -1.26 -5.00 115.22 113.35 2x2s n HIS 105 Ca 0.07 0.26 -0.10 0.00 -0.26 0.00 0.00 57.72 57.69 2x2s n HIS 105 Cb 0.54 -3.46 -0.02 0.00 1.12 0.00 0.00 29.99 28.17 2x2s n HIS 105 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2x2s s GLN 106 N -5.18 1.36 -0.19 -0.41 1.03 -1.26 -5.06 119.66 109.94 2x2s s GLN 106 Ca 0.15 -0.58 0.22 0.00 0.04 0.00 0.00 55.36 55.20 2x2s s GLN 106 Cb -0.07 0.58 0.47 0.00 0.03 0.00 0.00 33.01 34.02 2x2s s GLN 106 CO 0.19 -0.61 1.15 0.98 -2.54 0.00 0.00 175.29 174.46 2x2s n TYR 107 N -0.39 0.69 -0.00 9.60 9.36 -1.26 -4.86 117.16 130.29 2x2s n TYR 107 Ca -0.13 -1.66 -0.00 0.00 3.32 0.00 0.00 57.90 59.43 2x2s n TYR 107 Cb 0.63 -0.07 -0.00 0.00 -0.63 0.00 0.00 39.34 39.27 2x2s n TYR 107 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2x2s n GLU 108 N -0.37 3.68 -4.83 2.98 1.02 -1.26 -4.64 120.64 117.22 2x2s n GLU 108 Ca 0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2x2s n GLU 108 Cb 0.89 -1.01 -0.15 0.00 -0.02 0.00 0.00 31.44 31.15 2x2s n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2x2s s VAL 109 N -2.01 2.65 0.11 2.62 1.01 -1.26 -4.51 120.40 119.01 2x2s s VAL 109 Ca -0.00 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.24 2x2s s VAL 109 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2x2s s VAL 109 CO 0.01 0.53 -0.15 -0.36 0.00 0.00 0.00 175.10 175.13 2x2s s PHE 110 N 0.49 1.44 0.09 5.22 0.08 -0.20 -0.73 117.98 124.36 2x2s s PHE 110 Ca -0.11 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 2x2s s PHE 110 Cb -0.16 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 2x2s s PHE 110 CO 0.05 0.14 0.25 0.95 -0.10 0.00 0.00 175.22 176.52 2x2s s THR 111 N -1.77 5.33 -0.26 0.64 -4.23 0.56 -0.51 115.64 115.40 2x2s s THR 111 Ca 0.06 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 2x2s s THR 111 Cb -0.07 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2x2s s THR 111 CO 0.03 0.09 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.50 2x2s s ILE 112 N -1.57 2.02 -0.16 2.99 1.01 -1.26 -1.63 121.20 122.61 2x2s s ILE 112 Ca 0.36 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.39 2x2s s ILE 112 Cb -0.13 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 2x2s s ILE 112 CO 0.27 -0.11 -0.15 0.20 0.00 0.00 0.00 174.94 175.15 2x2s s ASN 113 N 1.15 3.70 0.44 3.58 0.01 -0.04 -0.81 114.94 122.97 2x2s s ASN 113 Ca -0.06 -0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 51.39 2x2s s ASN 113 Cb -0.20 -1.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.81 2x2s s ASN 113 CO -0.06 0.08 1.23 0.21 -1.51 0.00 0.00 177.10 177.05 2x2s s ASN 114 N 0.82 6.22 0.46 -1.22 3.84 0.12 -0.61 114.94 124.57 2x2s s ASN 114 Ca -0.05 2.47 0.16 0.00 0.21 0.00 0.00 52.86 55.65 2x2s s ASN 114 Cb -0.15 -2.62 1.09 0.00 -0.55 0.00 0.00 41.25 39.02 2x2s s ASN 114 CO -0.00 -0.90 2.02 0.50 -2.79 0.00 0.00 177.10 175.93 2x2s h LYS 115 N 2.34 0.00 -6.36 0.43 3.64 -0.98 -3.34 116.57 112.30 2x2s h LYS 115 Ca -0.49 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.33 2x2s h LYS 115 Cb 1.25 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 2x2s h LYS 115 CO 0.61 0.16 0.92 0.08 -2.27 0.00 0.00 179.45 178.95 2x2s s VAL 116 N -4.62 4.01 0.34 2.00 1.01 -1.25 -4.90 120.40 116.98 2x2s s VAL 116 Ca -0.04 0.62 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2x2s s VAL 116 Cb 0.16 -4.75 0.29 0.00 0.00 0.00 0.00 36.38 32.08 2x2s s VAL 116 CO 0.68 -1.45 1.93 0.77 0.00 0.00 0.00 175.10 177.03 2x2s h SER 117 N 9.64 0.73 0.89 3.32 4.64 -1.94 0.08 113.55 130.91 2x2s h SER 117 Ca -0.26 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2x2s h SER 117 Cb 1.06 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2x2s h SER 117 CO 1.20 0.46 0.00 -0.33 -0.87 0.00 0.00 176.83 177.29 2x2s h GLU 118 N 0.82 0.00 0.00 4.77 4.39 -1.90 -1.78 114.58 120.88 2x2s h GLU 118 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2x2s h GLU 118 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2x2s h GLU 118 CO -0.13 0.00 0.00 -0.07 -1.16 0.00 0.00 179.01 177.65 2x2s h LEU 119 N 0.00 0.00 0.00 1.33 3.38 -1.32 -3.45 115.31 115.25 2x2s h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x2s h LEU 119 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2x2s h LEU 119 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2x2s n GLY 120 N 1.00 0.14 3.54 0.83 0.00 -0.67 -3.15 105.19 106.88 2x2s n GLY 120 Ca 0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2x2s n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x2s s GLN 121 N 0.00 2.09 0.02 1.61 -0.21 -0.10 -0.70 119.66 122.37 2x2s s GLN 121 Ca 0.00 -1.02 -0.30 0.00 0.02 0.00 0.00 55.36 54.06 2x2s s GLN 121 Cb 0.00 -2.27 -0.07 0.00 1.00 0.00 0.00 33.01 31.67 2x2s s GLN 121 CO 0.00 0.52 1.61 -1.17 -2.12 0.00 0.00 175.29 174.12 2x2s s LEU 122 N -2.00 4.35 -0.01 2.90 2.96 0.01 -1.58 118.68 125.31 2x2s s LEU 122 Ca 0.19 2.35 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 2x2s s LEU 122 Cb -0.11 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.03 2x2s s LEU 122 CO 0.11 -0.86 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.39 2x2s s THR 123 N 2.97 0.05 -0.25 3.68 2.01 -0.00 -4.41 115.64 119.68 2x2s s THR 123 Ca 0.72 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.52 2x2s s THR 123 Cb -0.36 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2x2s s THR 123 CO 0.31 0.04 0.75 -0.69 -0.69 0.00 0.00 174.62 174.34 2x2s s VAL 124 N 0.29 4.89 0.13 3.82 1.01 -0.02 -0.12 120.40 130.40 2x2s s VAL 124 Ca -0.02 1.35 -0.35 0.00 0.00 0.00 0.00 61.98 62.96 2x2s s VAL 124 Cb -0.04 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 2x2s s VAL 124 CO -0.01 -0.05 1.54 1.17 0.00 0.00 0.00 175.10 177.74 2x2s n LYS 125 N 5.92 1.90 -2.01 2.72 4.81 0.10 -2.48 118.16 129.11 2x2s n LYS 125 Ca 0.03 0.69 -0.20 0.00 -0.87 0.00 0.00 58.31 57.95 2x2s n LYS 125 Cb 0.48 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.06 2x2s n LYS 125 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2x2s n ASP 126 N 3.36 -5.57 -2.27 3.14 8.00 -1.26 -2.08 116.55 119.87 2x2s n ASP 126 Ca 0.18 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.74 2x2s n ASP 126 Cb 0.26 -4.78 -0.02 0.00 -0.02 0.00 0.00 41.12 36.57 2x2s n ASP 126 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2x2s n TYR 127 N -3.18 -1.00 -1.73 1.24 4.01 -1.04 -4.93 117.16 110.54 2x2s n TYR 127 Ca -0.22 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.13 2x2s n TYR 127 Cb 0.67 -3.47 0.04 0.00 -0.31 0.00 0.00 39.34 36.27 2x2s n TYR 127 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2x2s n SER 128 N -1.79 2.64 -0.25 7.72 2.88 -0.88 -4.91 113.62 119.03 2x2s n SER 128 Ca -0.21 1.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.40 2x2s n SER 128 Cb 0.65 -1.56 0.11 0.00 -0.75 0.00 0.00 64.21 62.66 2x2s n SER 128 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2x2s n THR 129 N -0.87 1.54 -4.42 2.46 -2.24 -1.26 -4.84 114.28 104.65 2x2s n THR 129 Ca 0.09 -1.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.00 2x2s n THR 129 Cb 0.44 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2x2s n THR 129 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2x2s s HIS 130 N -2.01 2.36 0.51 4.78 3.76 -1.26 -4.83 115.29 118.60 2x2s s HIS 130 Ca 0.22 -0.32 -0.23 0.00 -0.15 0.00 0.00 55.06 54.58 2x2s s HIS 130 Cb 0.18 -1.08 -0.07 0.00 1.11 0.00 0.00 32.58 32.72 2x2s s HIS 130 CO 0.05 0.63 1.27 0.45 -0.85 0.00 0.00 174.74 176.28 2x2s n SER 131 N -0.34 2.35 0.00 1.40 2.88 -1.26 -3.61 113.62 115.03 2x2s n SER 131 Ca -0.08 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2x2s n SER 131 Cb 0.58 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2x2s n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x2s n GLY 132 N 0.86 0.78 3.74 0.46 0.00 0.58 -4.96 105.19 106.65 2x2s n GLY 132 Ca 0.09 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2x2s n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2s s ALA 133 N -2.00 3.33 0.33 4.61 0.00 -1.24 -4.77 121.76 122.02 2x2s s ALA 133 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2x2s s ALA 133 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 2x2s s ALA 133 CO 0.00 0.05 1.44 -0.51 0.00 0.00 0.00 175.76 176.74 2x2s s ASP 134 N -0.72 6.53 -0.26 0.00 1.01 -1.26 -0.96 116.67 121.02 2x2s s ASP 134 Ca 0.44 2.86 -0.09 0.00 0.71 0.00 0.00 52.55 56.47 2x2s s ASP 134 Cb -0.27 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 40.97 2x2s s ASP 134 CO 0.33 -0.75 0.12 -0.69 0.21 0.00 0.00 175.17 174.40 2x2s s VAL 135 N -0.76 4.80 0.23 -1.27 1.01 -0.88 -0.73 120.40 122.79 2x2s s VAL 135 Ca 0.54 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2x2s s VAL 135 Cb -0.44 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2x2s s VAL 135 CO 0.54 0.31 0.14 -0.76 0.00 0.00 0.00 175.10 175.34 2x2s s LEU 136 N 1.55 3.70 -0.38 3.92 1.43 0.82 -0.95 118.68 128.77 2x2s s LEU 136 Ca 0.06 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2x2s s LEU 136 Cb -0.15 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2x2s s LEU 136 CO 0.06 0.00 0.52 -0.94 0.23 0.00 0.00 176.35 176.23 2x2s s SER 137 N -3.58 6.29 0.16 2.29 1.04 -0.32 -0.82 113.70 118.76 2x2s s SER 137 Ca 0.32 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.53 2x2s s SER 137 Cb -0.08 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 2x2s s SER 137 CO 0.23 -0.57 -0.04 0.00 0.98 0.00 0.00 173.24 173.85 2x2s s ALA 138 N 2.43 1.39 0.01 5.32 0.00 -0.61 -0.28 121.76 130.01 2x2s s ALA 138 Ca 0.18 -1.55 -0.38 0.00 0.00 0.00 0.00 51.96 50.21 2x2s s ALA 138 Cb -0.15 0.35 -0.17 0.00 0.00 0.00 0.00 23.12 23.15 2x2s s ALA 138 CO 0.15 -0.24 1.37 0.45 0.00 0.00 0.00 175.76 177.48 2x2s n SER 139 N -0.23 1.51 -4.67 0.00 2.88 -1.26 -0.93 113.62 110.93 2x2s n SER 139 Ca -0.08 1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 58.15 2x2s n SER 139 Cb 0.62 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.92 2x2s n SER 139 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x2s s ALA 140 N 0.91 3.61 0.00 -1.46 0.00 -1.26 -4.71 121.76 118.85 2x2s s ALA 140 Ca 0.88 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2x2s s ALA 140 Cb -1.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2x2s s ALA 140 CO 0.52 -1.05 0.08 1.63 0.00 0.00 0.00 175.76 176.93 2x2s n LYS 141 N 6.15 2.34 -4.10 0.00 5.02 -1.26 -5.01 118.16 121.30 2x2s n LYS 141 Ca 0.13 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 2x2s n LYS 141 Cb 0.45 -0.40 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 2x2s n LYS 141 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2x2s n THR 142 N -0.36 -2.00 -1.49 -0.18 -1.04 -1.26 -4.98 114.28 102.97 2x2s n THR 142 Ca 0.00 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 2x2s n THR 142 Cb 0.04 -2.12 0.15 0.00 -1.82 0.00 0.00 70.33 66.58 2x2s n THR 142 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x2s s ALA 143 N -3.68 1.63 0.18 2.41 0.00 -1.26 -4.92 121.76 116.12 2x2s s ALA 143 Ca 0.34 -0.59 0.24 0.00 0.00 0.00 0.00 51.96 51.95 2x2s s ALA 143 Cb -0.19 -3.01 0.98 0.00 0.00 0.00 0.00 23.12 20.91 2x2s s ALA 143 CO 0.91 -2.46 1.86 -0.44 0.00 0.00 0.00 175.76 175.63 2x2s h ASP 144 N -1.63 0.00 -0.13 0.00 5.19 -1.97 -0.39 116.42 117.49 2x2s h ASP 144 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2x2s h ASP 144 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2x2s h ASP 144 CO 0.58 0.22 0.00 -0.46 -3.12 0.00 0.00 179.24 176.46 2x2s n ASN 145 N -3.44 0.75 -0.22 6.45 6.94 -1.26 -3.15 115.26 121.32 2x2s n ASN 145 Ca -0.00 -1.93 0.07 0.00 -0.02 0.00 0.00 54.58 52.70 2x2s n ASN 145 Cb 0.41 -0.09 0.13 0.00 -2.36 0.00 0.00 39.78 37.87 2x2s n ASN 145 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x2s n GLN 146 N -0.12 2.06 -4.64 -3.83 6.02 -0.16 -0.84 117.38 115.88 2x2s n GLN 146 Ca 0.06 -2.32 -0.31 0.00 -0.01 0.00 0.00 57.00 54.42 2x2s n GLN 146 Cb 0.13 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 29.85 2x2s n GLN 146 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2x2s s LYS 147 N -2.29 2.15 -0.01 -1.09 1.02 -1.19 -4.33 119.74 113.99 2x2s s LYS 147 Ca 0.25 -0.94 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 2x2s s LYS 147 Cb 0.21 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2x2s s LYS 147 CO 0.04 0.55 0.12 -1.58 -0.92 0.00 0.00 175.35 173.56 2x2s s TRP 148 N -0.93 0.01 0.14 3.18 0.52 0.34 -1.31 118.94 120.89 2x2s s TRP 148 Ca 0.15 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.29 2x2s s TRP 148 Cb -0.11 -0.03 -0.04 0.00 -1.15 0.00 0.00 33.47 32.14 2x2s s TRP 148 CO 0.05 -0.21 0.17 0.71 0.02 0.00 0.00 176.95 177.69 2x2s s TYR 149 N -0.95 3.26 -0.32 -1.98 2.02 0.55 -1.04 117.35 118.88 2x2s s TYR 149 Ca -0.10 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 2x2s s TYR 149 Cb -0.06 -1.58 0.07 0.00 -0.40 0.00 0.00 41.96 39.99 2x2s s TYR 149 CO 0.01 0.52 0.04 -0.06 -1.57 0.00 0.00 175.55 174.49 2x2s s PHE 150 N -1.69 3.37 -0.14 2.71 0.08 -1.26 -0.87 117.98 120.18 2x2s s PHE 150 Ca 0.32 -2.10 -0.08 0.00 0.12 0.00 0.00 56.93 55.19 2x2s s PHE 150 Cb -0.11 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2x2s s PHE 150 CO 0.25 -0.85 0.14 -0.51 -0.10 0.00 0.00 175.22 174.14 2x2s s ASP 151 N 1.33 6.32 0.08 1.36 1.01 -0.37 -0.61 116.67 125.79 2x2s s ASP 151 Ca -0.01 0.39 -0.36 0.00 0.71 0.00 0.00 52.55 53.28 2x2s s ASP 151 Cb -0.20 -2.07 -0.15 0.00 1.01 0.00 0.00 42.92 41.51 2x2s s ASP 151 CO -0.02 0.34 1.51 0.00 0.21 0.00 0.00 175.17 177.20 2x2s n ALA 152 N 2.44 0.19 0.00 5.23 0.00 -1.26 -0.46 120.51 126.65 2x2s n ALA 152 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2x2s n ALA 152 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2x2s n ALA 152 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86