#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c2p s PRO 8 N 0.00 2.33 0.88 1.45 0.02 -1.26 -5.03 135.00 133.39 2c2p s PRO 8 Ca 0.00 1.84 -0.14 0.00 0.02 0.00 0.00 61.00 62.72 2c2p s PRO 8 Cb 0.00 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.81 2c2p s PRO 8 CO 0.00 -1.71 1.23 0.16 -0.33 0.00 0.00 177.00 176.35 2c2p s ASP 9 N -1.83 3.85 0.52 2.53 1.47 -1.26 -4.94 116.67 117.01 2c2p s ASP 9 Ca 0.77 0.59 0.29 0.00 1.18 0.00 0.00 52.55 55.38 2c2p s ASP 9 Cb -0.31 -0.91 1.40 0.00 -0.34 0.00 0.00 42.92 42.76 2c2p s ASP 9 CO 0.42 -2.30 2.03 -0.07 0.68 0.00 0.00 175.17 175.94 2c2p h LEU 10 N -1.34 0.00 -2.35 2.11 3.38 -1.96 -2.43 115.31 112.72 2c2p h LEU 10 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2c2p h LEU 10 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2c2p h LEU 10 CO 0.55 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.55 2c2p n THR 11 N -3.48 0.54 -3.79 0.22 -2.24 -1.26 -0.58 114.28 103.70 2c2p n THR 11 Ca -0.01 -0.77 -0.26 0.00 -2.27 0.00 0.00 64.05 60.74 2c2p n THR 11 Cb 0.27 0.94 0.04 0.00 -2.10 0.00 0.00 70.33 69.48 2c2p n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c2p n GLY 12 N 1.40 -0.41 3.41 3.38 0.00 -0.92 -1.33 105.19 110.72 2c2p n GLY 12 Ca 0.19 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 2c2p n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c2p n SER 13 N -2.95 -6.06 0.00 1.61 7.64 -1.26 -2.17 113.62 110.43 2c2p n SER 13 Ca -0.11 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2c2p n SER 13 Cb 0.59 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 2c2p n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c2p n GLY 14 N -1.88 0.55 0.14 0.23 0.00 -0.80 -4.91 105.19 98.51 2c2p n GLY 14 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2c2p n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c2p h GLU 15 N 1.51 0.00 -6.87 1.61 5.08 -1.03 -3.47 114.58 111.41 2c2p h GLU 15 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2c2p h GLU 15 Cb 0.13 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.41 2c2p h GLU 15 CO 0.00 0.15 0.51 0.71 -1.00 0.00 0.00 179.01 179.39 2c2p s TYR 16 N -3.16 3.31 0.16 4.33 2.02 -0.44 -4.64 117.35 118.93 2c2p s TYR 16 Ca 0.01 1.60 -0.10 0.00 -0.37 0.00 0.00 57.07 58.21 2c2p s TYR 16 Cb 0.08 -3.38 -0.00 0.00 -0.40 0.00 0.00 41.96 38.25 2c2p s TYR 16 CO 0.76 -1.02 1.53 -0.07 -1.57 0.00 0.00 175.55 175.19 2c2p h LEU 17 N 3.32 1.03 -7.84 -1.29 3.38 -1.59 -3.43 115.31 108.89 2c2p h LEU 17 Ca -0.48 -0.41 -0.36 0.00 0.09 0.00 0.00 57.88 56.73 2c2p h LEU 17 Cb 1.22 -0.28 -0.31 0.00 0.09 0.00 0.00 40.66 41.38 2c2p h LEU 17 CO 0.65 1.21 -0.76 -0.69 0.09 0.00 0.00 178.44 178.94 2c2p s VAL 18 N -4.62 0.45 0.65 1.22 1.01 -1.26 -4.83 120.40 113.01 2c2p s VAL 18 Ca -0.11 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2c2p s VAL 18 Cb 0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2c2p s VAL 18 CO 0.87 0.16 1.14 -2.65 0.00 0.00 0.00 175.10 174.62 2c2p n PRO 19 N 3.38 0.94 -1.93 2.72 -0.02 -1.26 -4.97 135.00 133.86 2c2p n PRO 19 Ca -0.18 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 2c2p n PRO 19 Cb 0.55 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2c2p n PRO 19 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c2p s ASP 20 N -1.39 5.11 -0.46 2.55 1.01 0.26 -4.95 116.67 118.79 2c2p s ASP 20 Ca 0.80 2.30 0.01 0.00 0.71 0.00 0.00 52.55 56.36 2c2p s ASP 20 Cb -0.38 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.08 2c2p s ASP 20 CO 0.44 -1.64 0.22 -0.69 0.21 0.00 0.00 175.17 173.71 2c2p s VAL 21 N -1.78 2.89 -0.05 -1.27 1.01 -0.21 -4.89 120.40 116.10 2c2p s VAL 21 Ca 0.75 -2.68 -0.08 0.00 0.00 0.00 0.00 61.98 59.97 2c2p s VAL 21 Cb -0.28 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2c2p s VAL 21 CO 0.35 -0.73 0.19 -0.76 0.00 0.00 0.00 175.10 174.15 2c2p s LEU 22 N 0.42 1.28 0.12 3.92 1.43 -1.26 -0.79 118.68 123.81 2c2p s LEU 22 Ca 0.13 0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 2c2p s LEU 22 Cb -0.22 0.73 0.07 0.00 0.03 0.00 0.00 46.19 46.80 2c2p s LEU 22 CO -0.04 -0.17 0.82 0.00 0.23 0.00 0.00 176.35 177.19 2c2p s GLN 23 N -0.38 1.18 0.80 1.70 -2.07 -1.26 -5.05 119.66 114.59 2c2p s GLN 23 Ca -0.05 -0.55 -0.13 0.00 -1.82 0.00 0.00 55.36 52.81 2c2p s GLN 23 Cb -0.03 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.44 2c2p s GLN 23 CO 0.01 -0.53 1.20 -2.14 -1.32 0.00 0.00 175.29 172.51 2c2p s PRO 24 N -3.43 1.67 -0.01 9.60 0.02 -1.26 -3.92 135.00 137.67 2c2p s PRO 24 Ca 0.07 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2c2p s PRO 24 Cb -0.02 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2c2p s PRO 24 CO -0.04 -2.19 0.00 0.41 -0.33 0.00 0.00 177.00 174.85 2c2p n GLY 25 N 0.45 0.43 3.80 0.52 0.00 -1.25 -5.02 105.19 104.11 2c2p n GLY 25 Ca 0.13 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2c2p n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c2p s LEU 26 N -0.01 3.94 0.08 0.99 1.43 -1.25 -4.97 118.68 118.89 2c2p s LEU 26 Ca 0.00 1.87 -0.13 0.00 -1.03 0.00 0.00 54.13 54.85 2c2p s LEU 26 Cb 0.00 -4.48 -0.22 0.00 0.03 0.00 0.00 46.19 41.52 2c2p s LEU 26 CO 0.00 -0.59 1.20 0.74 0.23 0.00 0.00 176.35 177.93 2c2p h THR 27 N 1.80 1.30 -2.89 5.49 2.02 -1.17 -1.39 112.91 118.06 2c2p h THR 27 Ca -0.49 -2.31 -0.19 0.00 0.77 0.00 0.00 66.41 64.19 2c2p h THR 27 Cb 1.21 2.43 -0.30 0.00 -1.74 0.00 0.00 68.15 69.74 2c2p h THR 27 CO 0.60 0.71 -0.47 -0.22 0.37 0.00 0.00 175.52 176.51 2c2p s LEU 28 N -8.02 0.04 -0.18 2.58 2.96 -0.79 -1.06 118.68 114.22 2c2p s LEU 28 Ca -0.09 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2c2p s LEU 28 Cb 0.07 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 2c2p s LEU 28 CO 0.92 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.00 2c2p s VAL 29 N 1.77 3.51 -0.28 1.68 1.01 -0.16 -0.69 120.40 127.23 2c2p s VAL 29 Ca -0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2c2p s VAL 29 Cb -0.11 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2c2p s VAL 29 CO -0.09 0.47 0.20 -0.76 0.00 0.00 0.00 175.10 174.92 2c2p s LEU 30 N 0.82 4.03 -0.25 3.92 1.43 -0.63 -1.04 118.68 126.97 2c2p s LEU 30 Ca -0.02 0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2c2p s LEU 30 Cb -0.15 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.96 2c2p s LEU 30 CO 0.01 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.78 2c2p s VAL 31 N 1.78 2.89 0.27 -1.59 1.01 -0.04 -2.56 120.40 122.17 2c2p s VAL 31 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2c2p s VAL 31 Cb -0.16 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2c2p s VAL 31 CO 0.11 0.22 0.37 0.61 0.00 0.00 0.00 175.10 176.40 2c2p n GLY 32 N 4.68 0.82 0.01 4.51 0.00 -0.91 -1.22 105.19 113.09 2c2p n GLY 32 Ca -0.17 -2.00 -0.00 0.00 0.00 0.00 0.00 46.02 43.85 2c2p n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2c2p h THR 33 N -0.42 0.00 -3.48 2.61 1.35 -1.93 -1.53 112.91 109.51 2c2p h THR 33 Ca -0.12 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.42 2c2p h THR 33 Cb 0.46 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.73 2c2p h THR 33 CO 0.13 0.00 -0.21 0.00 -0.25 0.00 0.00 175.52 175.19 2c2p s ALA 34 N -2.90 -0.65 0.26 6.62 0.00 -1.26 -0.07 121.76 123.76 2c2p s ALA 34 Ca -0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 2c2p s ALA 34 Cb 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 23.12 23.52 2c2p s ALA 34 CO 0.00 -0.53 1.55 -1.25 0.00 0.00 0.00 175.76 175.53 2c2p s PRO 35 N -3.41 4.18 1.00 0.00 0.04 -1.26 -4.80 135.00 130.75 2c2p s PRO 35 Ca 0.01 2.47 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 2c2p s PRO 35 Cb 0.02 -3.06 0.17 0.00 0.04 0.00 0.00 34.50 31.66 2c2p s PRO 35 CO -0.09 -0.57 0.93 -1.13 0.04 0.00 0.00 177.00 176.19 2c2p n SER 36 N 2.48 -0.73 -0.32 6.66 3.41 -1.26 -1.58 113.62 122.28 2c2p n SER 36 Ca 0.09 0.22 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 2c2p n SER 36 Cb 0.38 -1.35 0.18 0.00 -0.26 0.00 0.00 64.21 63.17 2c2p n SER 36 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2c2p h GLY 37 N -2.07 1.40 0.91 5.00 0.00 -1.88 -0.37 103.07 106.05 2c2p h GLY 37 Ca -0.49 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.50 2c2p h GLY 37 CO 0.42 0.17 0.26 -2.22 0.00 0.00 0.00 176.54 175.16 2c2p h ILE 38 N 0.89 1.05 -0.65 2.60 2.04 -1.97 -0.35 117.51 121.12 2c2p h ILE 38 Ca 0.43 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 2c2p h ILE 38 Cb 0.36 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2c2p h ILE 38 CO -0.24 0.09 0.36 0.28 0.00 0.00 0.00 178.15 178.65 2c2p h SER 39 N 0.52 0.81 -0.28 1.72 0.02 -1.67 -0.96 113.55 113.72 2c2p h SER 39 Ca 0.17 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2c2p h SER 39 Cb 0.00 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2c2p h SER 39 CO -0.07 0.67 0.10 0.00 -1.14 0.00 0.00 176.83 176.39 2c2p h ALA 40 N 1.18 0.36 -0.69 3.77 0.00 -0.85 0.06 119.26 123.10 2c2p h ALA 40 Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2c2p h ALA 40 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2c2p h ALA 40 CO -0.04 -0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.51 2c2p h ARG 41 N 0.29 0.99 0.00 0.00 3.08 -0.97 -1.68 114.38 116.09 2c2p h ARG 41 Ca 0.09 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2c2p h ARG 41 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2c2p h ARG 41 CO -0.01 0.78 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 2c2p n ALA 42 N -2.37 1.80 -3.70 0.04 0.00 -0.37 -4.91 120.51 111.00 2c2p n ALA 42 Ca 0.05 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 2c2p n ALA 42 Cb 0.13 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.24 2c2p n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2c2p n ARG 43 N -2.01 -3.58 -2.50 0.00 5.12 -0.11 -4.99 116.66 108.59 2c2p n ARG 43 Ca 0.03 0.57 -0.06 0.00 -1.93 0.00 0.00 57.85 56.46 2c2p n ARG 43 Cb 0.25 -4.88 -0.01 0.00 -1.16 0.00 0.00 32.46 26.66 2c2p n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2c2p n ALA 44 N -4.19 -0.05 -2.47 7.54 0.00 -0.52 -4.92 120.51 115.91 2c2p n ALA 44 Ca -0.24 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.29 2c2p n ALA 44 Cb 0.66 0.48 -0.13 0.00 0.00 0.00 0.00 19.45 20.46 2c2p n ALA 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2c2p s TYR 45 N -3.91 2.59 -1.35 0.00 2.02 -1.26 -4.52 117.35 110.93 2c2p s TYR 45 Ca 0.11 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.51 2c2p s TYR 45 Cb -0.00 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2c2p s TYR 45 CO 0.08 0.25 0.47 0.66 -1.57 0.00 0.00 175.55 175.44 2c2p n TYR 46 N 1.64 -1.65 0.89 2.71 4.01 -1.26 -4.72 117.16 118.78 2c2p n TYR 46 Ca -0.16 0.63 0.12 0.00 -0.16 0.00 0.00 57.90 58.33 2c2p n TYR 46 Cb 0.52 -3.55 0.19 0.00 -0.31 0.00 0.00 39.34 36.19 2c2p n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c2p n ALA 47 N -4.42 3.51 -1.66 -0.72 0.00 -1.26 -4.80 120.51 111.16 2c2p n ALA 47 Ca -0.26 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 2c2p n ALA 47 Cb 0.66 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 2c2p n ALA 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2c2p n ASN 48 N -1.64 4.18 0.32 0.00 2.85 -1.26 -4.85 115.26 114.85 2c2p n ASN 48 Ca 0.05 0.90 0.19 0.00 -0.11 0.00 0.00 54.58 55.61 2c2p n ASN 48 Cb 0.36 -1.53 1.06 0.00 1.24 0.00 0.00 39.78 40.92 2c2p n ASN 48 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2c2p h PRO 49 N 10.62 0.00 0.00 1.20 0.11 -2.02 -1.70 132.00 140.21 2c2p h PRO 49 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2c2p h PRO 49 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2c2p h PRO 49 CO 0.94 0.00 -0.31 0.39 -0.21 0.00 0.00 178.00 178.81 2c2p n GLU 50 N -3.48 0.03 -2.05 1.05 1.02 -1.26 -4.86 120.64 111.09 2c2p n GLU 50 Ca -0.03 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 2c2p n GLU 50 Cb 0.08 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 2c2p n GLU 50 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2c2p s ASN 51 N -3.15 6.71 0.00 1.62 3.84 -0.64 -4.47 114.94 118.85 2c2p s ASN 51 Ca 0.12 2.54 0.24 0.00 0.21 0.00 0.00 52.86 55.96 2c2p s ASN 51 Cb 0.18 -2.60 0.93 0.00 -0.55 0.00 0.00 41.25 39.20 2c2p s ASN 51 CO 0.64 -0.70 1.66 0.29 -2.79 0.00 0.00 177.10 176.19 2c2p n LYS 52 N 3.19 1.62 0.13 0.43 5.02 -0.58 -4.53 118.16 123.44 2c2p n LYS 52 Ca 0.10 -0.93 -0.14 0.00 -2.02 0.00 0.00 58.31 55.32 2c2p n LYS 52 Cb 0.41 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 2c2p n LYS 52 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2c2p h PHE 53 N 2.01 -1.10 -0.56 2.13 3.57 -1.91 -0.41 116.94 120.67 2c2p h PHE 53 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2c2p h PHE 53 Cb 0.43 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2c2p h PHE 53 CO 0.06 -0.50 0.13 -1.49 -2.23 0.00 0.00 178.31 174.28 2c2p h TRP 54 N -0.65 0.93 -0.52 0.41 4.06 -1.88 0.26 115.95 118.57 2c2p h TRP 54 Ca 0.02 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 60.88 2c2p h TRP 54 Cb 0.67 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 2c2p h TRP 54 CO -0.33 0.81 0.31 -0.09 -3.56 0.00 0.00 178.44 175.57 2c2p h ARG 55 N 0.79 0.59 -0.13 0.49 2.43 -1.86 -2.80 114.38 113.90 2c2p h ARG 55 Ca 0.17 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2c2p h ARG 55 Cb 0.34 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2c2p h ARG 55 CO 0.00 0.39 0.05 1.15 -1.51 0.00 0.00 179.97 180.05 2c2p h THR 56 N 0.61 1.15 -0.98 0.20 2.02 -0.34 0.72 112.91 116.29 2c2p h THR 56 Ca 0.21 -0.44 0.17 0.00 0.77 0.00 0.00 66.41 67.11 2c2p h THR 56 Cb 0.03 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.56 2c2p h THR 56 CO -0.10 0.13 0.61 -0.07 0.37 0.00 0.00 175.52 176.47 2c2p h LEU 57 N 0.05 0.77 -0.07 2.58 3.38 -0.88 -0.60 115.31 120.54 2c2p h LEU 57 Ca 0.04 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2c2p h LEU 57 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2c2p h LEU 57 CO -0.00 0.34 -0.08 -0.74 0.09 0.00 0.00 178.44 178.04 2c2p h HIS 58 N 0.79 0.21 -0.94 1.13 2.76 -1.18 0.31 115.15 118.23 2c2p h HIS 58 Ca 0.53 -0.07 0.17 0.00 -2.20 0.00 0.00 60.37 58.80 2c2p h HIS 58 Cb 0.79 -0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.60 2c2p h HIS 58 CO -0.00 0.63 0.54 0.00 -1.30 0.00 0.00 177.93 177.80 2c2p h ALA 59 N 0.55 1.50 -0.33 5.26 0.00 0.09 -1.59 119.26 124.74 2c2p h ALA 59 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2c2p h ALA 59 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2c2p h ALA 59 CO 0.02 -0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.56 2c2p n VAL 60 N -4.80 0.42 -1.53 0.00 0.24 -0.32 -4.95 118.33 107.39 2c2p n VAL 60 Ca 0.21 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 2c2p n VAL 60 Cb 0.50 0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 2c2p n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2c2p n GLY 61 N 1.39 0.73 0.16 7.63 0.00 -0.60 -4.63 105.19 109.87 2c2p n GLY 61 Ca 0.18 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2c2p n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c2p h LEU 62 N 0.00 0.11 -8.62 0.99 3.38 -1.18 -3.44 115.31 106.55 2c2p h LEU 62 Ca -0.19 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.19 2c2p h LEU 62 Cb 0.75 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.24 2c2p h LEU 62 CO 0.25 0.65 -0.82 0.42 0.09 0.00 0.00 178.44 179.04 2c2p s THR 63 N -3.79 1.61 -0.72 0.22 -4.23 -0.94 -4.96 115.64 102.83 2c2p s THR 63 Ca -0.03 -1.47 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 2c2p s THR 63 Cb 0.13 -1.46 0.28 0.00 1.34 0.00 0.00 72.50 72.79 2c2p s THR 63 CO 0.77 -0.06 1.76 1.55 -0.54 0.00 0.00 174.62 178.09 2c2p h PRO 64 N 4.19 0.00 -5.01 3.99 0.13 -1.88 -3.38 132.00 130.02 2c2p h PRO 64 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 2c2p h PRO 64 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2c2p h PRO 64 CO 0.40 0.00 -0.64 1.03 -0.23 0.00 0.00 178.00 178.56 2c2p s ARG 65 N -3.11 1.37 -0.33 0.86 0.52 -1.26 -5.08 118.95 111.93 2c2p s ARG 65 Ca 0.10 -1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 53.35 2c2p s ARG 65 Cb 0.12 -0.51 0.01 0.00 0.52 0.00 0.00 34.95 35.09 2c2p s ARG 65 CO 0.60 -0.17 0.87 -1.14 0.02 0.00 0.00 175.30 175.48 2c2p s GLN 66 N -3.92 3.92 0.59 3.54 0.74 -1.26 -4.57 119.66 118.70 2c2p s GLN 66 Ca 0.32 0.62 -0.15 0.00 0.05 0.00 0.00 55.36 56.20 2c2p s GLN 66 Cb 0.07 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2c2p s GLN 66 CO 0.10 -0.80 1.04 -0.51 -0.55 0.00 0.00 175.29 174.57 2c2p s LEU 67 N 3.21 3.45 0.36 3.68 1.43 -1.26 -5.05 118.68 124.50 2c2p s LEU 67 Ca 0.36 1.69 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 2c2p s LEU 67 Cb -0.13 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.51 2c2p s LEU 67 CO 0.15 -1.05 0.69 0.68 0.23 0.00 0.00 176.35 177.05 2c2p s VAL 68 N -2.64 4.85 0.40 -1.59 -7.23 -1.26 -4.83 120.40 108.10 2c2p s VAL 68 Ca 0.61 0.47 0.15 0.00 -1.81 0.00 0.00 61.98 61.40 2c2p s VAL 68 Cb -0.14 -3.72 0.36 0.00 0.56 0.00 0.00 36.38 33.44 2c2p s VAL 68 CO 0.40 -0.41 1.86 -0.65 -0.31 0.00 0.00 175.10 175.99 2c2p h PRO 69 N 1.52 0.48 0.00 4.82 0.11 -1.88 -0.21 132.00 136.84 2c2p h PRO 69 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2c2p h PRO 69 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2c2p h PRO 69 CO 0.65 0.32 0.00 1.04 -0.21 0.00 0.00 178.00 179.79 2c2p n GLN 70 N -4.53 0.03 -0.21 1.05 6.02 -1.26 -2.13 117.38 116.35 2c2p n GLN 70 Ca 0.18 0.33 0.07 0.00 -0.01 0.00 0.00 57.00 57.57 2c2p n GLN 70 Cb 0.62 -1.57 0.19 0.00 1.02 0.00 0.00 30.24 30.50 2c2p n GLN 70 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2c2p n GLU 71 N -1.64 1.97 -0.15 -1.09 1.02 -0.09 -4.59 120.64 116.06 2c2p n GLU 71 Ca 0.03 -1.50 0.09 0.00 -0.02 0.00 0.00 57.16 55.75 2c2p n GLU 71 Cb 0.15 -1.33 0.40 0.00 -0.02 0.00 0.00 31.44 30.65 2c2p n GLU 71 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2c2p h TYR 72 N 2.45 0.66 0.00 -0.32 -0.00 -1.57 -1.30 116.97 116.89 2c2p h TYR 72 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 2c2p h TYR 72 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 36.73 37.08 2c2p h TYR 72 CO 0.28 0.33 0.00 0.00 -0.00 0.00 0.00 178.16 178.77 2c2p n ALA 73 N -2.47 2.07 1.42 0.10 0.00 -1.26 -2.40 120.51 117.96 2c2p n ALA 73 Ca 0.11 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.60 2c2p n ALA 73 Cb 0.29 -1.35 0.63 0.00 0.00 0.00 0.00 19.45 19.03 2c2p n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c2p n THR 74 N -1.36 0.00 -0.14 0.00 -2.24 -0.49 -4.31 114.28 105.74 2c2p n THR 74 Ca 0.08 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 2c2p n THR 74 Cb 0.20 -0.15 0.45 0.00 -2.10 0.00 0.00 70.33 68.73 2c2p n THR 74 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2c2p h LEU 75 N 0.50 0.48 -2.52 3.22 3.38 -1.65 -1.74 115.31 116.98 2c2p h LEU 75 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2c2p h LEU 75 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2c2p h LEU 75 CO 0.00 0.29 0.16 -0.65 0.09 0.00 0.00 178.44 178.33 2c2p h PRO 76 N 0.54 0.00 0.00 1.13 0.11 -1.36 -0.36 132.00 132.06 2c2p h PRO 76 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2c2p h PRO 76 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2c2p h PRO 76 CO -0.10 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.13 2c2p h GLN 77 N 0.00 0.00 -0.34 1.05 3.07 -1.60 -1.70 115.11 115.60 2c2p h GLN 77 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2c2p h GLN 77 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2c2p h GLN 77 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2c2p n TYR 78 N -2.73 0.45 -1.22 0.06 4.01 -0.18 -4.97 117.16 112.58 2c2p n TYR 78 Ca -0.00 -0.46 -0.04 0.00 -0.16 0.00 0.00 57.90 57.24 2c2p n TYR 78 Cb 0.18 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 2c2p n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c2p n GLY 79 N 0.58 0.61 3.54 2.72 0.00 -0.64 -4.94 105.19 107.06 2c2p n GLY 79 Ca 0.12 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2c2p n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c2p s LEU 80 N -0.85 2.94 0.00 0.99 1.02 -0.96 -0.53 118.68 121.30 2c2p s LEU 80 Ca 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.13 53.85 2c2p s LEU 80 Cb 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 2c2p s LEU 80 CO 0.00 0.23 0.10 0.61 0.02 0.00 0.00 176.35 177.31 2c2p n GLY 81 N 1.21 3.59 3.24 -3.19 0.00 0.13 -1.24 105.19 108.92 2c2p n GLY 81 Ca -0.15 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 2c2p n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c2p s LEU 82 N 0.00 0.70 0.39 0.99 1.43 0.03 -1.60 118.68 120.62 2c2p s LEU 82 Ca 0.15 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 53.75 2c2p s LEU 82 Cb 0.01 1.19 0.05 0.00 0.03 0.00 0.00 46.19 47.47 2c2p s LEU 82 CO 0.10 -0.15 0.76 0.28 0.23 0.00 0.00 176.35 177.57 2c2p s THR 83 N 0.05 0.00 0.10 5.49 -1.32 -1.06 -1.04 115.64 117.85 2c2p s THR 83 Ca -0.01 -1.07 0.02 0.00 -1.21 0.00 0.00 61.69 59.42 2c2p s THR 83 Cb -0.03 -2.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.01 2c2p s THR 83 CO 0.01 0.00 -0.07 -1.81 -2.21 0.00 0.00 174.62 170.54 2c2p s ASP 84 N -3.10 1.17 0.21 8.08 1.01 -1.26 -2.14 116.67 120.64 2c2p s ASP 84 Ca 0.17 -0.99 -0.07 0.00 0.71 0.00 0.00 52.55 52.38 2c2p s ASP 84 Cb -0.05 0.09 0.15 0.00 1.01 0.00 0.00 42.92 44.12 2c2p s ASP 84 CO 0.13 -0.45 1.67 0.58 0.21 0.00 0.00 175.17 177.31 2c2p h VAL 85 N 3.02 1.26 -3.53 -1.27 2.07 -0.94 -3.40 116.25 113.45 2c2p h VAL 85 Ca -0.35 -1.13 -0.67 0.00 0.82 0.00 0.00 66.70 65.37 2c2p h VAL 85 Cb 1.17 0.85 -0.27 0.00 -1.52 0.00 0.00 31.29 31.52 2c2p h VAL 85 CO 0.64 0.41 -0.67 0.00 0.02 0.00 0.00 177.57 177.96 2c2p s ALA 86 N -4.98 2.94 -0.36 1.67 0.00 0.89 -1.16 121.76 120.77 2c2p s ALA 86 Ca -0.11 -1.32 0.12 0.00 0.00 0.00 0.00 51.96 50.65 2c2p s ALA 86 Cb 0.14 -1.93 -0.16 0.00 0.00 0.00 0.00 23.12 21.17 2c2p s ALA 86 CO 0.84 -0.69 0.43 1.63 0.00 0.00 0.00 175.76 177.97 2c2p n LYS 87 N 4.82 1.94 -0.06 0.00 4.76 -1.26 -4.36 118.16 123.99 2c2p n LYS 87 Ca -0.16 -0.05 0.05 0.00 -2.87 0.00 0.00 58.31 55.28 2c2p n LYS 87 Cb 0.49 -1.17 0.08 0.00 -1.84 0.00 0.00 35.03 32.59 2c2p n LYS 87 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2c2p n ARG 88 N -1.55 1.44 -4.08 1.97 1.74 -1.26 -1.47 116.66 113.46 2c2p n ARG 88 Ca 0.00 -1.45 -0.10 0.00 -0.77 0.00 0.00 57.85 55.53 2c2p n ARG 88 Cb 0.25 -1.19 -0.11 0.00 -1.02 0.00 0.00 32.46 30.39 2c2p n ARG 88 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2c2p s HIS 89 N -0.86 0.62 0.19 -1.55 3.76 -1.26 -4.87 115.29 111.31 2c2p s HIS 89 Ca 0.14 -0.72 0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2c2p s HIS 89 Cb 0.09 -0.39 -0.05 0.00 1.11 0.00 0.00 32.58 33.34 2c2p s HIS 89 CO 0.12 -0.18 -0.13 -1.54 -0.85 0.00 0.00 174.74 172.16 2c2p s SER 90 N -2.18 2.34 0.00 1.40 1.04 -1.26 -4.25 113.70 110.80 2c2p s SER 90 Ca -0.02 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2c2p s SER 90 Cb -0.03 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2c2p s SER 90 CO -0.03 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2c2p n GLY 91 N -0.29 1.26 3.78 7.32 0.00 -0.61 -4.85 105.19 111.79 2c2p n GLY 91 Ca -0.09 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 2c2p n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c2p s VAL 92 N -1.12 3.32 0.26 1.61 -7.23 -1.26 -4.52 120.40 111.45 2c2p s VAL 92 Ca 0.00 0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 61.02 2c2p s VAL 92 Cb 0.00 -3.38 0.23 0.00 0.56 0.00 0.00 36.38 33.79 2c2p s VAL 92 CO 0.00 -0.13 1.74 0.44 -0.31 0.00 0.00 175.10 176.84 2c2p h ASP 93 N 1.55 0.37 0.47 4.85 3.32 -1.97 -1.07 116.42 123.94 2c2p h ASP 93 Ca -0.50 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 2c2p h ASP 93 Cb 1.25 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2c2p h ASP 93 CO 0.58 0.14 -0.09 0.00 -1.72 0.00 0.00 179.24 178.15 2c2p h ALA 94 N 1.57 1.17 0.00 3.45 0.00 -2.03 -2.78 119.26 120.65 2c2p h ALA 94 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2c2p h ALA 94 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2c2p h ALA 94 CO -0.40 0.12 -0.78 0.00 0.00 0.00 0.00 179.25 178.18 2c2p n ALA 95 N -2.22 3.20 -1.77 0.00 0.00 -0.42 -4.95 120.51 114.36 2c2p n ALA 95 Ca -0.01 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 2c2p n ALA 95 Cb 0.24 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2c2p n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c2p s LEU 96 N -3.96 4.46 0.68 0.00 1.43 -1.05 -4.98 118.68 115.26 2c2p s LEU 96 Ca 0.06 2.55 -0.16 0.00 -1.03 0.00 0.00 54.13 55.55 2c2p s LEU 96 Cb 0.14 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2c2p s LEU 96 CO 0.75 -0.41 1.17 -2.16 0.23 0.00 0.00 176.35 175.93 2c2p s PRO 97 N -1.70 2.50 0.34 1.29 0.04 -1.26 -4.92 135.00 131.29 2c2p s PRO 97 Ca 0.48 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2c2p s PRO 97 Cb -0.37 -1.89 0.68 0.00 0.04 0.00 0.00 34.50 32.96 2c2p s PRO 97 CO 0.49 -1.53 1.94 0.78 0.04 0.00 0.00 177.00 178.71 2c2p h GLY 98 N 0.01 1.08 1.91 0.56 0.00 -1.99 -0.68 103.07 103.96 2c2p h GLY 98 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2c2p h GLY 98 CO 0.52 0.24 0.00 -1.84 0.00 0.00 0.00 176.54 175.46 2c2p n GLU 99 N -4.49 0.06 0.02 4.80 0.00 -1.26 -3.40 120.64 116.37 2c2p n GLU 99 Ca 0.12 0.15 0.03 0.00 0.00 0.00 0.00 57.16 57.46 2c2p n GLU 99 Cb 0.24 -1.50 0.41 0.00 0.00 0.00 0.00 31.44 30.59 2c2p n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2c2p h ALA 100 N 2.73 1.66 -2.21 -1.84 0.00 -1.48 -3.43 119.26 114.69 2c2p h ALA 100 Ca 0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 2c2p h ALA 100 Cb 0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2c2p h ALA 100 CO 0.00 0.29 0.60 -1.58 0.00 0.00 0.00 179.25 178.56 2c2p s TRP 101 N -5.35 3.34 -0.50 0.00 0.52 -1.22 -4.18 118.94 111.55 2c2p s TRP 101 Ca -0.08 1.31 0.08 0.00 0.02 0.00 0.00 56.10 57.42 2c2p s TRP 101 Cb 0.17 -3.14 0.30 0.00 -1.15 0.00 0.00 33.47 29.64 2c2p s TRP 101 CO 0.73 -0.41 0.75 0.54 0.02 0.00 0.00 176.95 178.58 2c2p n ARG 102 N 6.00 1.95 0.29 4.98 5.12 -0.31 -4.88 116.66 129.81 2c2p n ARG 102 Ca 0.08 -4.09 0.17 0.00 -1.93 0.00 0.00 57.85 52.08 2c2p n ARG 102 Cb 0.47 -1.88 0.87 0.00 -1.16 0.00 0.00 32.46 30.76 2c2p n ARG 102 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2c2p h PRO 103 N 3.54 0.00 -0.27 5.56 0.13 -1.88 -1.89 132.00 137.20 2c2p h PRO 103 Ca 0.13 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.31 2c2p h PRO 103 Cb 0.74 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 2c2p h PRO 103 CO 0.67 0.05 -0.04 0.38 -0.23 0.00 0.00 178.00 178.83 2c2p h ASP 104 N 0.00 -0.18 0.05 1.44 2.03 -1.94 -0.14 116.42 117.68 2c2p h ASP 104 Ca -0.00 0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.24 2c2p h ASP 104 Cb 0.26 0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 2c2p h ASP 104 CO 0.01 -0.06 -0.43 -0.33 -1.03 0.00 0.00 179.24 177.40 2c2p h GLU 105 N 0.04 0.47 -0.27 4.15 5.08 -1.75 -2.37 114.58 119.92 2c2p h GLU 105 Ca 0.13 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2c2p h GLU 105 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2c2p h GLU 105 CO -0.25 0.81 0.15 1.25 -1.00 0.00 0.00 179.01 179.97 2c2p h LEU 106 N 0.38 0.33 -1.02 1.33 5.85 -1.12 -2.30 115.31 118.77 2c2p h LEU 106 Ca 0.03 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2c2p h LEU 106 Cb 0.91 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2c2p h LEU 106 CO 0.08 0.32 0.44 0.03 -0.34 0.00 0.00 178.44 178.97 2c2p h ARG 107 N 0.32 1.13 -0.79 1.25 3.08 -0.75 -0.79 114.38 117.83 2c2p h ARG 107 Ca 0.09 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2c2p h ARG 107 Cb 0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2c2p h ARG 107 CO -0.02 0.83 0.43 0.00 -1.07 0.00 0.00 179.97 180.14 2c2p h ARG 108 N 1.14 1.10 -0.45 0.04 3.08 -1.22 -1.19 114.38 116.88 2c2p h ARG 108 Ca 0.29 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2c2p h ARG 108 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2c2p h ARG 108 CO -0.05 0.82 0.11 0.87 -1.07 0.00 0.00 179.97 180.65 2c2p h LYS 109 N 1.10 0.72 -0.67 0.04 1.57 -0.78 -1.38 116.57 117.16 2c2p h LYS 109 Ca 0.28 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2c2p h LYS 109 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2c2p h LYS 109 CO -0.04 0.72 0.16 0.28 -0.57 0.00 0.00 179.45 179.99 2c2p h VAL 110 N 0.60 1.26 -0.36 0.50 2.07 -0.91 0.24 116.25 119.65 2c2p h VAL 110 Ca 0.14 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 2c2p h VAL 110 Cb 0.33 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2c2p h VAL 110 CO 0.00 0.36 -0.24 -0.08 0.02 0.00 0.00 177.57 177.64 2c2p h GLU 111 N 1.02 0.73 0.41 1.57 4.57 -1.05 0.27 114.58 122.10 2c2p h GLU 111 Ca 0.21 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2c2p h GLU 111 Cb 0.37 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2c2p h GLU 111 CO 0.00 0.89 -0.20 1.25 -1.18 0.00 0.00 179.01 179.78 2c2p h HIS 112 N 0.63 -0.52 0.00 0.92 2.76 -0.95 -3.37 115.15 114.63 2c2p h HIS 112 Ca 0.09 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2c2p h HIS 112 Cb 0.73 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 2c2p h HIS 112 CO 0.04 -0.21 -0.21 1.88 -1.30 0.00 0.00 177.93 178.12 2c2p h TYR 113 N -1.03 0.00 -6.74 5.26 0.05 -0.97 -3.48 116.97 110.05 2c2p h TYR 113 Ca -0.06 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.17 2c2p h TYR 113 Cb 0.53 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.28 2c2p h TYR 113 CO 0.02 0.05 -0.99 0.54 -1.05 0.00 0.00 178.16 176.73 2c2p n ARG 114 N -3.04 -0.52 -1.09 4.88 5.12 0.08 -3.88 116.66 118.20 2c2p n ARG 114 Ca 0.03 0.18 -0.32 0.00 -1.93 0.00 0.00 57.85 55.81 2c2p n ARG 114 Cb 0.55 -2.98 0.12 0.00 -1.16 0.00 0.00 32.46 29.00 2c2p n ARG 114 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2c2p s PRO 115 N -7.04 1.74 0.22 5.56 0.04 -1.26 -4.68 135.00 129.58 2c2p s PRO 115 Ca 0.49 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2c2p s PRO 115 Cb -0.24 -1.81 0.20 0.00 0.04 0.00 0.00 34.50 32.69 2c2p s PRO 115 CO 0.94 -2.08 1.55 0.00 0.04 0.00 0.00 177.00 177.46 2c2p h ARG 116 N -1.18 0.42 -3.81 4.56 2.47 -1.15 -3.40 114.38 112.31 2c2p h ARG 116 Ca -0.44 -0.26 -0.27 0.00 -1.26 0.00 0.00 59.98 57.74 2c2p h ARG 116 Cb 1.26 0.03 -0.30 0.00 -1.65 0.00 0.00 29.97 29.31 2c2p h ARG 116 CO 0.47 0.85 -0.73 0.42 0.56 0.00 0.00 179.97 181.54 2c2p s ILE 117 N -3.96 0.09 -0.19 2.04 1.01 -0.23 -1.06 121.20 118.90 2c2p s ILE 117 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 2c2p s ILE 117 Cb 0.12 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.45 2c2p s ILE 117 CO 0.82 0.06 -0.04 -0.69 0.00 0.00 0.00 174.94 175.08 2c2p s VAL 118 N 0.28 3.54 -0.22 2.92 1.01 0.52 -0.99 120.40 127.47 2c2p s VAL 118 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2c2p s VAL 118 Cb -0.04 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.79 2c2p s VAL 118 CO -0.01 0.45 -0.16 0.00 0.00 0.00 0.00 175.10 175.38 2c2p s ALA 119 N 1.07 2.44 0.09 5.51 0.00 -0.20 -1.35 121.76 129.31 2c2p s ALA 119 Ca 0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.21 2c2p s ALA 119 Cb -0.15 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 2c2p s ALA 119 CO 0.00 -0.72 1.22 -0.06 0.00 0.00 0.00 175.76 176.20 2c2p s PHE 120 N 1.21 3.42 -2.13 0.00 0.08 -0.02 -0.86 117.98 119.68 2c2p s PHE 120 Ca -0.01 1.29 0.16 0.00 0.12 0.00 0.00 56.93 58.48 2c2p s PHE 120 Cb -0.16 -3.45 0.60 0.00 -0.57 0.00 0.00 43.02 39.44 2c2p s PHE 120 CO -0.09 -1.38 1.43 0.25 -0.10 0.00 0.00 175.22 175.33 2c2p n THR 121 N 3.66 0.25 -3.51 0.64 -2.24 -0.36 -0.16 114.28 112.56 2c2p n THR 121 Ca 0.08 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2c2p n THR 121 Cb 0.46 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2c2p n THR 121 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c2p s SER 122 N -1.35 -0.47 0.30 3.42 1.04 -1.15 -3.18 113.70 112.32 2c2p s SER 122 Ca 0.26 0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.72 2c2p s SER 122 Cb 0.14 0.54 0.56 0.00 0.10 0.00 0.00 66.02 67.36 2c2p s SER 122 CO 0.20 -0.86 1.88 0.11 0.98 0.00 0.00 173.24 175.55 2c2p h LYS 123 N 2.32 0.97 -0.38 4.02 1.57 -1.87 -3.15 116.57 120.05 2c2p h LYS 123 Ca -0.33 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2c2p h LYS 123 Cb 1.26 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2c2p h LYS 123 CO 0.41 0.64 0.17 -0.09 -0.57 0.00 0.00 179.45 180.01 2c2p h ARG 124 N 1.00 0.34 -0.32 3.15 9.65 -1.96 0.75 114.38 126.99 2c2p h ARG 124 Ca 0.43 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.34 2c2p h ARG 124 Cb 0.33 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 2c2p h ARG 124 CO -0.19 0.22 0.06 0.78 2.80 0.00 0.00 179.97 183.64 2c2p h GLY 125 N 0.35 0.36 0.99 2.80 0.00 -1.88 -0.33 103.07 105.36 2c2p h GLY 125 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2c2p h GLY 125 CO -0.14 -0.02 0.36 0.00 0.00 0.00 0.00 176.54 176.74 2c2p h ALA 126 N 1.24 0.70 -0.63 3.60 0.00 -1.45 -2.53 119.26 120.19 2c2p h ALA 126 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2c2p h ALA 126 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2c2p h ALA 126 CO -0.20 0.13 0.22 1.03 0.00 0.00 0.00 179.25 180.43 2c2p h SER 127 N 0.74 0.90 0.25 0.00 0.87 -0.43 0.42 113.55 116.30 2c2p h SER 127 Ca 0.20 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2c2p h SER 127 Cb -0.08 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 2c2p h SER 127 CO -0.05 0.85 -0.15 -0.33 -0.53 0.00 0.00 176.83 176.62 2c2p h GLU 128 N 0.90 0.00 0.09 2.24 4.39 -0.99 -1.28 114.58 119.92 2c2p h GLU 128 Ca 0.21 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.56 2c2p h GLU 128 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2c2p h GLU 128 CO -0.01 0.15 -1.90 2.41 -1.16 0.00 0.00 179.01 178.51 2c2p n THR 129 N -4.00 1.71 0.92 1.13 -1.04 -0.67 -4.33 114.28 108.00 2c2p n THR 129 Ca -0.02 -0.51 0.13 0.00 -2.04 0.00 0.00 64.05 61.60 2c2p n THR 129 Cb 0.24 -1.78 0.34 0.00 -1.82 0.00 0.00 70.33 67.31 2c2p n THR 129 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2c2p n LEU 130 N -3.68 0.41 -0.03 -4.42 4.77 0.14 -4.94 117.00 109.25 2c2p n LEU 130 Ca -0.34 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2c2p n LEU 130 Cb 0.97 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2c2p n LEU 130 CO 0.36 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2c2p n GLY 131 N 1.47 0.46 3.38 -0.72 0.00 -0.49 -5.03 105.19 104.26 2c2p n GLY 131 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2c2p n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c2p s VAL 132 N -1.92 2.42 0.64 1.61 -7.23 -1.21 -5.06 120.40 109.66 2c2p s VAL 132 Ca 0.00 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 2c2p s VAL 132 Cb 0.00 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 2c2p s VAL 132 CO 0.00 0.51 1.29 -2.16 -0.31 0.00 0.00 175.10 174.43 2c2p s PRO 133 N -0.86 2.58 0.40 4.82 0.04 -1.26 -4.40 135.00 136.32 2c2p s PRO 133 Ca 0.11 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.27 2c2p s PRO 133 Cb -0.10 -1.85 0.84 0.00 0.04 0.00 0.00 34.50 33.43 2c2p s PRO 133 CO 0.01 -1.57 2.02 1.79 0.04 0.00 0.00 177.00 179.29 2c2p h THR 134 N 0.56 1.05 0.00 1.26 1.35 -1.94 -2.38 112.91 112.82 2c2p h THR 134 Ca -0.51 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2c2p h THR 134 Cb 1.33 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2c2p h THR 134 CO 0.53 0.11 0.00 1.23 -0.25 0.00 0.00 175.52 177.14 2c2p h GLY 135 N 0.60 0.00 -2.50 5.82 0.00 -1.98 -1.90 103.07 103.12 2c2p h GLY 135 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2c2p h GLY 135 CO -0.06 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.65 2c2p n LYS 136 N -2.54 2.60 -4.14 4.80 3.00 -0.89 -4.88 118.16 116.10 2c2p n LYS 136 Ca 0.02 -2.43 -0.35 0.00 -0.00 0.00 0.00 58.31 55.55 2c2p n LYS 136 Cb 0.25 -1.54 -0.13 0.00 0.00 0.00 0.00 35.03 33.62 2c2p n LYS 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2c2p s LEU 137 N -1.03 3.20 0.51 3.14 1.43 -0.72 -5.02 118.68 120.20 2c2p s LEU 137 Ca 0.45 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2c2p s LEU 137 Cb 0.24 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2c2p s LEU 137 CO 0.30 0.08 0.83 -2.16 0.23 0.00 0.00 176.35 175.63 2c2p s PRO 138 N 0.91 3.39 0.56 1.29 0.04 -1.26 -5.02 135.00 134.91 2c2p s PRO 138 Ca 0.00 0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.04 2c2p s PRO 138 Cb -0.14 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2c2p s PRO 138 CO 0.02 -0.34 1.07 0.71 0.04 0.00 0.00 177.00 178.49 2c2p s TYR 139 N -2.82 2.89 0.00 0.56 2.02 -1.26 -4.70 117.35 114.04 2c2p s TYR 139 Ca 0.49 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.73 2c2p s TYR 139 Cb -0.10 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 2c2p s TYR 139 CO 0.45 -1.17 0.00 0.41 -1.57 0.00 0.00 175.55 173.67 2c2p n GLY 140 N -0.52 -1.85 3.76 0.71 0.00 0.18 -4.90 105.19 102.56 2c2p n GLY 140 Ca 0.10 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2c2p n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c2p s PRO 141 N 0.00 4.36 0.42 1.61 0.04 -1.26 -1.57 135.00 138.61 2c2p s PRO 141 Ca 0.00 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.30 2c2p s PRO 141 Cb 0.00 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 2c2p s PRO 141 CO 0.00 -0.22 0.45 -0.65 0.04 0.00 0.00 177.00 176.62 2c2p s GLN 142 N -1.21 2.63 0.42 4.56 -1.52 0.28 -4.94 119.66 119.86 2c2p s GLN 142 Ca 0.52 -1.44 -0.23 0.00 -1.95 0.00 0.00 55.36 52.26 2c2p s GLN 142 Cb -0.39 -2.51 -0.09 0.00 -0.22 0.00 0.00 33.01 29.80 2c2p s GLN 142 CO 0.48 -0.23 1.01 -2.14 -0.25 0.00 0.00 175.29 174.16 2c2p s PRO 143 N -4.21 4.15 0.03 2.91 0.02 -1.26 -4.68 135.00 131.95 2c2p s PRO 143 Ca 0.50 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 2c2p s PRO 143 Cb -0.05 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 31.98 2c2p s PRO 143 CO 0.30 -0.13 1.97 1.04 -0.33 0.00 0.00 177.00 179.85 2c2p n GLN 144 N -0.32 2.81 0.00 5.54 1.13 -1.26 -4.97 117.38 120.31 2c2p n GLN 144 Ca 0.06 1.03 0.00 0.00 -1.94 0.00 0.00 57.00 56.15 2c2p n GLN 144 Cb 0.51 -2.98 0.00 0.00 0.11 0.00 0.00 30.24 27.88 2c2p n GLN 144 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2c2p n PRO 145 N 7.47 0.00 0.00 -1.09 -0.04 -1.26 -5.08 135.00 135.00 2c2p n PRO 145 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2c2p n PRO 145 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 2c2p n PRO 145 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2c2p n LEU 146 N 0.00 0.00 -0.16 1.53 4.77 -1.26 -4.44 117.00 117.44 2c2p n LEU 146 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2c2p n LEU 146 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2c2p n LEU 146 CO 0.00 0.00 -0.02 0.47 -1.33 0.00 0.00 177.39 176.51 2c2p n ASP 147 N 0.00 -5.13 -3.70 -1.43 9.92 -1.26 -4.99 116.55 109.96 2c2p n ASP 147 Ca 0.00 0.05 -0.11 0.00 -0.53 0.00 0.00 54.79 54.20 2c2p n ASP 147 Cb 0.00 -2.82 -0.10 0.00 -0.64 0.00 0.00 41.12 37.56 2c2p n ASP 147 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2c2p s TRP 148 N -1.45 -0.59 -0.14 1.24 -0.11 -1.26 -5.02 118.94 111.60 2c2p s TRP 148 Ca 0.00 1.29 -0.29 0.00 1.22 0.00 0.00 56.10 58.32 2c2p s TRP 148 Cb 0.00 0.26 -0.05 0.00 -1.50 0.00 0.00 33.47 32.18 2c2p s TRP 148 CO 0.00 -0.33 1.83 -1.25 -4.62 0.00 0.00 176.95 172.59 2c2p s PRO 149 N 1.17 3.78 0.29 5.86 0.04 -1.26 -4.82 135.00 140.06 2c2p s PRO 149 Ca -0.08 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.15 2c2p s PRO 149 Cb -0.07 -4.13 0.88 0.00 0.04 0.00 0.00 34.50 31.22 2c2p s PRO 149 CO -0.10 -1.34 1.45 0.00 0.04 0.00 0.00 177.00 177.04 2c2p n ALA 150 N 8.79 0.86 1.21 8.56 0.00 -1.26 -1.07 120.51 137.59 2c2p n ALA 150 Ca 0.21 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.94 2c2p n ALA 150 Cb 0.44 -1.06 0.59 0.00 0.00 0.00 0.00 19.45 19.42 2c2p n ALA 150 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2c2p n GLU 151 N -2.10 0.29 -3.71 0.00 0.28 -1.26 -4.69 120.64 109.46 2c2p n GLU 151 Ca -0.01 -0.07 -0.38 0.00 -0.16 0.00 0.00 57.16 56.54 2c2p n GLU 151 Cb 0.15 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.40 2c2p n GLU 151 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2c2p s THR 152 N -2.75 4.07 0.57 3.84 2.01 -0.24 -4.73 115.64 118.42 2c2p s THR 152 Ca 0.21 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 2c2p s THR 152 Cb 0.19 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2c2p s THR 152 CO 0.53 -0.10 1.07 -1.61 -0.69 0.00 0.00 174.62 173.81 2c2p s GLU 153 N 1.48 3.37 -0.05 4.92 2.02 -0.22 -4.82 118.70 125.38 2c2p s GLU 153 Ca 0.01 1.29 0.03 0.00 0.02 0.00 0.00 54.97 56.32 2c2p s GLU 153 Cb -0.19 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2c2p s GLU 153 CO 0.04 -0.78 -0.13 -1.17 0.02 0.00 0.00 175.26 173.23 2c2p s LEU 154 N -4.27 1.76 0.06 1.80 0.20 -1.26 -0.35 118.68 116.62 2c2p s LEU 154 Ca 0.65 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.20 2c2p s LEU 154 Cb -0.17 -0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 2c2p s LEU 154 CO 0.33 0.08 -0.08 0.26 -0.29 0.00 0.00 176.35 176.64 2c2p s TRP 155 N 0.39 0.80 -0.07 5.38 0.52 -0.46 -0.56 118.94 124.94 2c2p s TRP 155 Ca -0.10 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.48 2c2p s TRP 155 Cb -0.13 -0.46 0.01 0.00 -1.15 0.00 0.00 33.47 31.73 2c2p s TRP 155 CO 0.03 -0.07 -0.14 0.08 0.02 0.00 0.00 176.95 176.87 2c2p s VAL 156 N -1.80 1.24 0.12 4.03 1.01 -0.61 -0.84 120.40 123.56 2c2p s VAL 156 Ca -0.05 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.48 2c2p s VAL 156 Cb -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2c2p s VAL 156 CO -0.00 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.51 2c2p s LEU 157 N 0.62 2.34 0.15 3.92 1.43 0.77 -0.65 118.68 127.26 2c2p s LEU 157 Ca -0.15 -0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 51.89 2c2p s LEU 157 Cb -0.16 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 2c2p s LEU 157 CO 0.04 0.05 1.53 -2.84 0.23 0.00 0.00 176.35 175.36 2c2p s PRO 158 N -2.18 4.24 0.15 1.29 0.02 -1.26 -2.91 135.00 134.34 2c2p s PRO 158 Ca 0.10 2.29 -0.34 0.00 0.02 0.00 0.00 61.00 63.07 2c2p s PRO 158 Cb -0.09 -3.20 -0.15 0.00 0.02 0.00 0.00 34.50 31.08 2c2p s PRO 158 CO 0.05 -0.57 1.31 0.45 -0.33 0.00 0.00 177.00 177.91 2c2p n SER 159 N 4.06 1.89 -0.48 2.53 2.88 -1.19 -4.78 113.62 118.53 2c2p n SER 159 Ca 0.13 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.92 2c2p n SER 159 Cb 0.39 -1.27 0.45 0.00 -0.75 0.00 0.00 64.21 63.04 2c2p n SER 159 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2c2p n THR 160 N 2.14 0.13 -2.20 2.46 -2.24 -1.26 -4.57 114.28 108.74 2c2p n THR 160 Ca 0.16 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 2c2p n THR 160 Cb 0.24 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2c2p n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2c2p s SER 161 N -1.71 5.68 0.27 3.42 0.15 -1.26 -1.53 113.70 118.73 2c2p s SER 161 Ca 0.34 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.25 2c2p s SER 161 Cb 0.18 -2.59 0.54 0.00 -1.71 0.00 0.00 66.02 62.45 2c2p s SER 161 CO 0.28 -1.25 1.81 -0.65 1.20 0.00 0.00 173.24 174.64 2c2p h PRO 162 N 1.28 0.84 -0.15 5.44 0.11 -1.92 -2.37 132.00 135.22 2c2p h PRO 162 Ca -0.50 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.60 2c2p h PRO 162 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2c2p h PRO 162 CO 0.57 0.55 0.18 -0.07 -0.21 0.00 0.00 178.00 179.03 2c2p h LEU 163 N 0.86 0.00 -2.84 2.35 3.38 -1.97 -2.35 115.31 114.75 2c2p h LEU 163 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2c2p h LEU 163 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2c2p h LEU 163 CO -0.29 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.85 2c2p n GLY 164 N -1.37 2.47 0.29 0.83 0.00 -0.89 -4.69 105.19 101.83 2c2p n GLY 164 Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2c2p n GLY 164 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2c2p h HIS 165 N 3.23 0.33 0.00 1.61 2.76 -1.47 -0.12 115.15 121.48 2c2p h HIS 165 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2c2p h HIS 165 Cb 1.48 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.33 2c2p h HIS 165 CO 0.77 0.21 0.00 -0.91 -1.30 0.00 0.00 177.93 176.69 2c2p h ASN 166 N 0.35 0.00 -0.00 3.26 4.21 -1.85 -3.12 115.58 118.43 2c2p h ASN 166 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2c2p h ASN 166 Cb -0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 2c2p h ASN 166 CO -0.02 0.00 -0.27 1.41 -1.29 0.00 0.00 177.43 177.26 2c2p n HIS 167 N -2.81 0.00 -2.05 1.19 8.25 -0.12 -5.02 115.22 114.66 2c2p n HIS 167 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2c2p n HIS 167 Cb 0.25 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 2c2p n HIS 167 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2c2p s PHE 168 N -1.48 3.03 -0.02 4.41 5.36 -0.81 -4.90 117.98 123.58 2c2p s PHE 168 Ca 0.06 1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 57.14 2c2p s PHE 168 Cb 0.07 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 2c2p s PHE 168 CO 0.28 -2.43 0.06 1.03 -1.46 0.00 0.00 175.22 172.69 2c2p s ARG 169 N -0.70 0.10 0.31 10.12 1.81 -1.26 -5.06 118.95 124.28 2c2p s ARG 169 Ca 0.57 0.02 0.17 0.00 -1.72 0.00 0.00 55.73 54.77 2c2p s ARG 169 Cb -0.41 0.05 0.14 0.00 -0.45 0.00 0.00 34.95 34.27 2c2p s ARG 169 CO 0.45 -0.02 1.48 -0.07 -0.68 0.00 0.00 175.30 176.47 2c2p h LEU 170 N 5.89 0.00 -0.25 2.53 3.38 -1.98 -3.39 115.31 121.50 2c2p h LEU 170 Ca -0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2c2p h LEU 170 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2c2p h LEU 170 CO 0.46 0.41 -0.07 -0.08 0.09 0.00 0.00 178.44 179.26 2c2p h GLU 171 N 0.00 -0.01 -0.75 1.13 4.22 -1.99 0.19 114.58 117.37 2c2p h GLU 171 Ca -0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 2c2p h GLU 171 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2c2p h GLU 171 CO 0.05 -0.01 0.50 -1.35 -2.18 0.00 0.00 179.01 176.02 2c2p h PRO 172 N -0.01 0.90 -0.50 0.92 0.11 -1.96 -0.42 132.00 131.04 2c2p h PRO 172 Ca 0.12 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 2c2p h PRO 172 Cb 0.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 2c2p h PRO 172 CO -0.26 0.60 -0.09 -1.49 -0.21 0.00 0.00 178.00 176.55 2c2p h TRP 173 N 0.93 1.05 -0.09 0.65 4.06 -1.48 -1.02 115.95 120.04 2c2p h TRP 173 Ca 0.30 -0.22 -0.18 0.00 2.06 0.00 0.00 58.89 60.85 2c2p h TRP 173 Cb 0.04 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 2c2p h TRP 173 CO -0.00 1.00 -0.70 0.37 -3.56 0.00 0.00 178.44 175.55 2c2p h GLN 174 N 0.80 0.42 -0.50 0.49 5.75 -0.29 -1.52 115.11 120.26 2c2p h GLN 174 Ca 0.13 -0.33 -0.08 0.00 -0.15 0.00 0.00 58.65 58.23 2c2p h GLN 174 Cb 0.64 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 2c2p h GLN 174 CO 0.04 0.96 0.00 0.00 -2.65 0.00 0.00 178.83 177.19 2c2p h ALA 175 N 0.95 1.06 -0.10 3.38 0.00 -0.99 -0.11 119.26 123.45 2c2p h ALA 175 Ca -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2c2p h ALA 175 Cb 1.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2c2p h ALA 175 CO 0.12 0.59 0.04 1.25 0.00 0.00 0.00 179.25 181.25 2c2p h LEU 176 N 0.78 0.13 -1.08 0.00 5.85 -1.02 -0.81 115.31 119.16 2c2p h LEU 176 Ca 0.15 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2c2p h LEU 176 Cb 0.46 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2c2p h LEU 176 CO 0.02 0.24 0.62 1.23 -0.34 0.00 0.00 178.44 180.21 2c2p h GLY 177 N 0.02 1.51 1.33 3.75 0.00 -0.89 -0.26 103.07 108.53 2c2p h GLY 177 Ca 0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 2c2p h GLY 177 CO -0.00 0.18 -0.41 -0.55 0.00 0.00 0.00 176.54 175.75 2c2p h ASP 178 N 0.95 0.78 -0.46 0.19 3.32 -0.75 -1.24 116.42 119.21 2c2p h ASP 178 Ca 0.47 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 2c2p h ASP 178 Cb 0.47 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2c2p h ASP 178 CO -0.23 1.09 -0.27 -0.09 -1.72 0.00 0.00 179.24 178.03 2c2p h ARG 179 N 0.59 0.99 -0.29 3.56 9.65 -0.23 -1.16 114.38 127.49 2c2p h ARG 179 Ca 0.05 -0.45 -0.04 0.00 -1.10 0.00 0.00 59.98 58.44 2c2p h ARG 179 Cb 0.96 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 2c2p h ARG 179 CO 0.09 1.12 0.03 0.28 2.80 0.00 0.00 179.97 184.29 2c2p h VAL 180 N 0.84 1.24 -0.65 0.20 2.07 -0.88 -1.52 116.25 117.54 2c2p h VAL 180 Ca 0.10 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.89 2c2p h VAL 180 Cb 0.85 1.25 -0.10 0.00 -1.52 0.00 0.00 31.29 31.77 2c2p h VAL 180 CO 0.08 0.28 0.11 -0.09 0.02 0.00 0.00 177.57 177.97 2c2p h ARG 181 N 0.30 0.22 -0.51 1.57 2.43 -1.15 -1.04 114.38 116.20 2c2p h ARG 181 Ca 0.08 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2c2p h ARG 181 Cb 0.38 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2c2p h ARG 181 CO 0.01 0.14 0.14 1.49 -1.51 0.00 0.00 179.97 180.24 2c2p h GLU 182 N 0.23 0.80 -0.24 0.20 4.81 -0.89 -0.48 114.58 119.00 2c2p h GLU 182 Ca 0.35 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2c2p h GLU 182 Cb 0.57 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2c2p h GLU 182 CO -0.48 0.76 0.01 -0.07 -0.73 0.00 0.00 179.01 178.51 2c2p h LEU 183 N 0.70 0.41 -0.95 1.64 3.38 -1.05 -0.49 115.31 118.94 2c2p h LEU 183 Ca 0.16 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2c2p h LEU 183 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2c2p h LEU 183 CO -0.00 0.61 -0.47 0.03 0.09 0.00 0.00 178.44 178.69 2c2p h ARG 184 N 0.20 0.00 0.01 1.13 3.08 -1.06 -1.34 114.38 116.40 2c2p h ARG 184 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 2c2p h ARG 184 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2c2p h ARG 184 CO 0.01 0.47 -0.91 0.78 -1.07 0.00 0.00 179.97 179.25 2c2p h GLY 185 N 1.77 0.23 1.14 0.04 0.00 -1.04 -2.88 103.07 102.34 2c2p h GLY 185 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 2c2p h GLY 185 CO 0.06 0.38 -0.36 0.00 0.00 0.00 0.00 176.54 176.62 2c2p h ALA 186 N 0.93 0.60 -0.68 3.60 0.00 -0.78 -2.24 119.26 120.70 2c2p h ALA 186 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.49 2c2p h ALA 186 Cb 1.55 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2c2p h ALA 186 CO 0.14 0.68 0.45 0.00 0.00 0.00 0.00 179.25 180.51 2c2p h ALA 187 N 0.80 1.79 0.11 0.00 0.00 -1.20 -1.27 119.26 119.49 2c2p h ALA 187 Ca 0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2c2p h ALA 187 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2c2p h ALA 187 CO 0.09 0.09 -1.33 0.93 0.00 0.00 0.00 179.25 179.03 2c2p h GLU 188 N 0.64 0.22 0.00 0.00 4.39 -1.45 -3.51 114.58 114.87 2c2p h GLU 188 Ca 0.30 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2c2p h GLU 188 Cb 0.33 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2c2p h GLU 188 CO -0.10 1.13 0.00 0.00 -1.16 0.00 0.00 179.01 178.89