#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpo s SER 3 N 0.00 5.49 -0.03 3.54 0.15 -1.19 -4.98 113.70 116.68 3gpo s SER 3 Ca 0.00 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.72 3gpo s SER 3 Cb 0.00 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 3gpo s SER 3 CO 0.00 0.20 -0.19 -0.31 1.20 0.00 0.00 173.24 174.14 3gpo s TYR 4 N -1.31 1.81 0.06 3.44 1.51 -1.26 0.28 117.35 121.88 3gpo s TYR 4 Ca 0.27 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 3gpo s TYR 4 Cb -0.12 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3gpo s TYR 4 CO 0.19 -0.09 0.06 1.03 -1.11 0.00 0.00 175.55 175.63 3gpo s ARG 5 N -0.28 0.70 -0.03 -0.62 0.52 -0.74 -4.99 118.95 113.51 3gpo s ARG 5 Ca 0.03 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.18 3gpo s ARG 5 Cb -0.09 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 3gpo s ARG 5 CO 0.01 -0.17 -0.15 0.54 0.02 0.00 0.00 175.30 175.55 3gpo s VAL 6 N -3.84 1.20 -0.05 3.52 0.11 -1.26 -0.55 120.40 119.53 3gpo s VAL 6 Ca 0.06 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 3gpo s VAL 6 Cb 0.06 -1.02 -0.00 0.00 -1.53 0.00 0.00 36.38 33.89 3gpo s VAL 6 CO -0.10 0.35 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.30 3gpo s LYS 7 N -0.11 1.81 -0.53 1.54 -0.14 0.20 -4.94 119.74 117.57 3gpo s LYS 7 Ca 0.01 -0.60 -0.20 0.00 -1.36 0.00 0.00 55.97 53.82 3gpo s LYS 7 Cb -0.08 -1.56 0.06 0.00 -1.68 0.00 0.00 37.83 34.57 3gpo s LYS 7 CO 0.01 0.23 0.69 0.50 -0.76 0.00 0.00 175.35 176.01 3gpo s ARG 8 N 0.08 3.14 -0.19 1.68 3.52 -1.26 -1.70 118.95 124.22 3gpo s ARG 8 Ca -0.05 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 3gpo s ARG 8 Cb -0.12 -4.12 -0.01 0.00 -1.56 0.00 0.00 34.95 29.14 3gpo s ARG 8 CO 0.02 -1.32 1.23 0.34 -0.81 0.00 0.00 175.30 174.77 3gpo s ASP 10 N 2.87 6.94 0.61 -2.12 -1.08 -1.26 -4.95 116.67 117.67 3gpo s ASP 10 Ca 0.17 1.59 0.29 0.00 -0.52 0.00 0.00 52.55 54.08 3gpo s ASP 10 Cb -0.19 -2.54 1.58 0.00 -1.46 0.00 0.00 42.92 40.32 3gpo s ASP 10 CO 0.12 -0.78 1.97 -0.29 0.52 0.00 0.00 175.17 176.71 3gpo h ILE 11 N 5.53 0.31 0.00 4.11 2.10 -1.93 0.45 117.51 128.08 3gpo h ILE 11 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3gpo h ILE 11 Cb 1.10 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3gpo h ILE 11 CO 0.98 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.05 3gpo n ALA 12 N -2.24 1.34 -1.07 0.18 0.00 -1.26 -1.96 120.51 115.50 3gpo n ALA 12 Ca 0.04 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.68 3gpo n ALA 12 Cb 0.49 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 18.84 3gpo n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gpo n LYS 13 N -2.29 2.89 -1.28 0.00 5.02 0.15 -5.02 118.16 117.63 3gpo n LYS 13 Ca 0.00 -2.93 -0.34 0.00 -2.02 0.00 0.00 58.31 53.02 3gpo n LYS 13 Cb 0.13 -1.89 0.11 0.00 -0.02 0.00 0.00 35.03 33.36 3gpo n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gpo s ASN 14 N -1.91 3.96 -0.31 4.39 2.20 -0.83 -4.97 114.94 117.47 3gpo s ASN 14 Ca 0.44 2.31 0.09 0.00 -0.94 0.00 0.00 52.86 54.76 3gpo s ASN 14 Cb 0.36 -2.58 0.58 0.00 -2.00 0.00 0.00 41.25 37.61 3gpo s ASN 14 CO 0.08 -2.42 1.61 -0.67 -2.94 0.00 0.00 177.10 172.76 3gpo n ASP 15 N -3.04 3.32 -4.83 3.54 2.03 -1.26 -5.03 116.55 111.28 3gpo n ASP 15 Ca 0.13 -3.54 -0.24 0.00 0.52 0.00 0.00 54.79 51.66 3gpo n ASP 15 Cb 0.51 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 3gpo n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gpo s GLU 16 N -3.16 2.32 0.07 -0.67 8.01 -1.26 -5.04 118.70 118.98 3gpo s GLU 16 Ca 0.48 -1.83 0.27 0.00 0.01 0.00 0.00 54.97 53.90 3gpo s GLU 16 Cb 0.42 -2.12 0.92 0.00 -4.31 0.00 0.00 34.13 29.04 3gpo s GLU 16 CO 0.06 -0.31 1.75 0.39 0.01 0.00 0.00 175.26 177.16 3gpo n GLU 17 N -1.49 0.10 -3.85 1.61 1.02 -1.22 -4.87 120.64 111.93 3gpo n GLU 17 Ca -0.01 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 3gpo n GLU 17 Cb 0.64 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3gpo n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpo s VAL 19 N -3.93 1.07 -0.24 0.00 0.11 -0.94 -1.04 120.40 115.43 3gpo s VAL 19 Ca 0.13 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.09 3gpo s VAL 19 Cb -0.04 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 3gpo s VAL 19 CO 0.05 -0.02 0.11 -0.69 -3.33 0.00 0.00 175.10 171.23 3gpo s VAL 20 N -0.87 4.82 0.04 2.04 1.01 0.67 0.08 120.40 128.18 3gpo s VAL 20 Ca 0.01 -0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3gpo s VAL 20 Cb -0.08 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 3gpo s VAL 20 CO 0.01 0.34 0.60 0.21 0.00 0.00 0.00 175.10 176.26 3gpo s ASN 21 N 1.32 7.04 -1.01 3.32 2.47 0.18 -4.38 114.94 123.90 3gpo s ASN 21 Ca 0.06 1.24 -0.22 0.00 0.42 0.00 0.00 52.86 54.37 3gpo s ASN 21 Cb -0.15 -2.37 0.07 0.00 -1.45 0.00 0.00 41.25 37.35 3gpo s ASN 21 CO 0.05 0.18 1.37 0.00 -3.72 0.00 0.00 177.10 174.98 3gpo s ALA 22 N -0.62 2.93 0.52 1.71 0.00 -1.26 -1.28 121.76 123.75 3gpo s ALA 22 Ca 0.31 -2.44 0.06 0.00 0.00 0.00 0.00 51.96 49.89 3gpo s ALA 22 Cb -0.19 -4.39 0.04 0.00 0.00 0.00 0.00 23.12 18.58 3gpo s ALA 22 CO 0.19 -3.42 0.71 0.00 0.00 0.00 0.00 175.76 173.24 3gpo s ALA 23 N 4.27 4.31 0.24 0.00 0.00 0.34 -4.26 121.76 126.66 3gpo s ALA 23 Ca 0.43 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.80 3gpo s ALA 23 Cb -0.01 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3gpo s ALA 23 CO -0.09 -0.65 -0.02 0.54 0.00 0.00 0.00 175.76 175.54 3gpo s ASN 24 N -4.47 4.53 0.57 0.00 2.20 -1.26 -4.29 114.94 112.21 3gpo s ASN 24 Ca 0.58 -0.60 0.35 0.00 -0.94 0.00 0.00 52.86 52.25 3gpo s ASN 24 Cb -0.09 -0.85 1.51 0.00 -2.00 0.00 0.00 41.25 39.83 3gpo s ASN 24 CO 0.37 0.03 2.04 1.55 -2.94 0.00 0.00 177.10 178.14 3gpo h PRO 25 N 2.14 0.00 -0.02 3.55 0.13 -1.93 -2.30 132.00 133.56 3gpo h PRO 25 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3gpo h PRO 25 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gpo h PRO 25 CO 0.59 0.00 -0.02 0.54 -0.23 0.00 0.00 178.00 178.88 3gpo n ARG 26 N -3.09 1.94 -1.34 0.86 1.74 -1.26 -2.34 116.66 113.17 3gpo n ARG 26 Ca 0.00 -1.40 -0.06 0.00 -0.77 0.00 0.00 57.85 55.62 3gpo n ARG 26 Cb 0.27 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 3gpo n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gpo n GLY 27 N 1.27 0.72 3.78 -0.13 0.00 -0.87 -4.55 105.19 105.41 3gpo n GLY 27 Ca 0.16 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 3gpo n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpo s LEU 28 N -1.43 4.32 0.45 0.99 1.43 -1.26 -4.79 118.68 118.39 3gpo s LEU 28 Ca 0.00 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 3gpo s LEU 28 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 3gpo s LEU 28 CO 0.00 -0.16 1.37 -2.84 0.23 0.00 0.00 176.35 174.96 3gpo s PRO 29 N -2.09 3.69 0.00 1.29 0.02 -1.26 -4.57 135.00 132.08 3gpo s PRO 29 Ca 0.51 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.83 3gpo s PRO 29 Cb -0.20 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.70 3gpo s PRO 29 CO 0.26 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3gpo n GLY 30 N 0.62 4.82 0.13 0.52 0.00 -1.26 -5.01 105.19 105.01 3gpo n GLY 30 Ca 0.05 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 3gpo n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpo n ASP 31 N -1.43 0.02 0.00 1.61 10.43 -1.26 -2.81 116.55 123.11 3gpo n ASP 31 Ca 0.00 -1.03 0.00 0.00 2.57 0.00 0.00 54.79 56.33 3gpo n ASP 31 Cb 0.00 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 42.93 3gpo n ASP 31 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpo n GLY 32 N 4.72 2.25 0.31 0.44 0.00 -1.26 -2.46 105.19 109.21 3gpo n GLY 32 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 3gpo n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpo h VAL 33 N 0.00 1.17 -0.29 1.61 2.07 -1.93 -1.54 116.25 117.33 3gpo h VAL 33 Ca 0.00 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3gpo h VAL 33 Cb 0.00 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3gpo h VAL 33 CO 0.00 0.19 0.19 0.00 0.02 0.00 0.00 177.57 177.98 3gpo h LYS 35 N 0.31 -0.03 -0.63 0.00 3.64 -0.94 -0.65 116.57 118.26 3gpo h LYS 35 Ca 0.11 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3gpo h LYS 35 Cb 0.08 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3gpo h LYS 35 CO -0.02 0.01 0.10 0.00 -2.27 0.00 0.00 179.45 177.26 3gpo h ALA 36 N 0.90 0.84 -0.59 5.00 0.00 -1.33 -2.15 119.26 121.93 3gpo h ALA 36 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3gpo h ALA 36 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gpo h ALA 36 CO 0.01 0.61 0.16 0.28 0.00 0.00 0.00 179.25 180.30 3gpo h VAL 37 N 0.97 1.25 -0.68 0.00 2.07 -0.86 -1.52 116.25 117.48 3gpo h VAL 37 Ca 0.19 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 3gpo h VAL 37 Cb 0.44 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gpo h VAL 37 CO 0.01 0.33 0.17 0.22 0.02 0.00 0.00 177.57 178.32 3gpo h TYR 38 N 0.85 1.12 -0.63 1.57 3.20 -1.01 0.21 116.97 122.29 3gpo h TYR 38 Ca 0.19 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3gpo h TYR 38 Cb 0.33 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3gpo h TYR 38 CO 0.02 0.92 0.20 -0.22 -1.64 0.00 0.00 178.16 177.45 3gpo h LYS 39 N 1.00 0.97 0.10 1.82 3.64 -1.17 -2.69 116.57 120.23 3gpo h LYS 39 Ca 0.21 -0.20 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 3gpo h LYS 39 Cb 0.35 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3gpo h LYS 39 CO 0.00 0.85 -1.04 -0.22 -2.27 0.00 0.00 179.45 176.77 3gpo h LYS 40 N 0.90 0.21 -2.22 1.90 1.63 -1.06 -3.41 116.57 114.51 3gpo h LYS 40 Ca 0.20 -0.36 -0.57 0.00 -0.85 0.00 0.00 60.65 59.08 3gpo h LYS 40 Cb 0.28 0.13 -0.42 0.00 -0.60 0.00 0.00 32.23 31.62 3gpo h LYS 40 CO -0.01 1.17 -0.74 0.91 -3.45 0.00 0.00 179.45 177.33 3gpo n TRP 41 N -4.12 3.37 0.15 1.91 8.01 0.73 -4.93 117.44 122.55 3gpo n TRP 41 Ca -0.20 -3.95 0.06 0.00 -1.31 0.00 0.00 57.50 52.09 3gpo n TRP 41 Cb 0.81 -0.47 0.53 0.00 -2.01 0.00 0.00 31.31 30.17 3gpo n TRP 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3gpo h PRO 42 N 2.98 0.23 -0.00 -0.99 0.13 -1.64 -1.23 132.00 131.48 3gpo h PRO 42 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gpo h PRO 42 Cb 0.59 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3gpo h PRO 42 CO 0.76 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 179.64 3gpo h GLU 43 N 0.24 0.00 0.00 0.86 3.07 -1.92 -1.76 114.58 115.07 3gpo h GLU 43 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3gpo h GLU 43 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3gpo h GLU 43 CO -0.01 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.47 3gpo n SER 44 N -3.94 0.00 -0.83 1.42 3.41 -0.46 -2.76 113.62 110.47 3gpo n SER 44 Ca -0.03 -0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 3gpo n SER 44 Cb 0.08 -0.19 0.29 0.00 -0.26 0.00 0.00 64.21 64.14 3gpo n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gpo n PHE 45 N -1.19 0.28 -1.84 7.33 3.72 -0.66 -4.56 117.46 120.53 3gpo n PHE 45 Ca 0.10 -0.14 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 3gpo n PHE 45 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3gpo n PHE 45 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gpo s LYS 46 N -1.72 3.25 -1.49 -1.08 2.20 -1.11 -3.16 119.74 116.62 3gpo s LYS 46 Ca 0.35 1.66 -0.08 0.00 -0.36 0.00 0.00 55.97 57.54 3gpo s LYS 46 Cb 0.20 -4.27 0.06 0.00 -1.51 0.00 0.00 37.83 32.31 3gpo s LYS 46 CO 0.29 -1.96 0.72 0.09 -0.36 0.00 0.00 175.35 174.13 3gpo n ASN 47 N 10.87 -2.47 -0.09 1.43 3.02 -1.26 -4.88 115.26 121.88 3gpo n ASN 47 Ca 0.26 -0.91 0.14 0.00 -0.03 0.00 0.00 54.58 54.04 3gpo n ASN 47 Cb 0.46 -3.42 0.59 0.00 -0.61 0.00 0.00 39.78 36.81 3gpo n ASN 47 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gpo n SER 48 N -2.88 0.40 -4.72 6.41 3.41 -1.19 -4.92 113.62 110.13 3gpo n SER 48 Ca -0.12 -0.43 -0.43 0.00 -0.26 0.00 0.00 58.87 57.64 3gpo n SER 48 Cb 0.59 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3gpo n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpo n ALA 49 N -1.06 1.85 -3.52 7.33 0.00 -1.26 -4.66 120.51 119.18 3gpo n ALA 49 Ca 0.13 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 3gpo n ALA 49 Cb 0.28 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 3gpo n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gpo s THR 50 N -0.46 0.00 0.77 0.00 -1.32 -0.99 -4.91 115.64 108.74 3gpo s THR 50 Ca 0.61 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.98 3gpo s THR 50 Cb -0.55 -0.99 0.05 0.00 -1.51 0.00 0.00 72.50 69.50 3gpo s THR 50 CO 0.55 -0.01 1.08 -2.84 -2.21 0.00 0.00 174.62 171.19 3gpo s PRO 51 N -1.15 2.28 0.33 7.08 0.02 -1.26 -4.24 135.00 138.06 3gpo s PRO 51 Ca -0.11 0.99 -0.27 0.00 0.02 0.00 0.00 61.00 61.63 3gpo s PRO 51 Cb -0.00 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3gpo s PRO 51 CO 0.10 -1.57 1.13 0.28 -0.33 0.00 0.00 177.00 176.60 3gpo n VAL 52 N -3.45 2.07 -1.02 3.83 0.31 -1.26 -2.06 118.33 116.75 3gpo n VAL 52 Ca 0.08 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.90 3gpo n VAL 52 Cb 0.54 -1.26 -0.00 0.00 -0.91 0.00 0.00 33.84 32.20 3gpo n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gpo n GLY 53 N 1.02 0.48 3.44 2.92 0.00 -0.02 -5.00 105.19 108.03 3gpo n GLY 53 Ca 0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3gpo n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpo s THR 54 N -1.97 1.06 0.01 2.61 -4.23 -0.87 -3.26 115.64 109.00 3gpo s THR 54 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3gpo s THR 54 Cb 0.00 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 3gpo s THR 54 CO 0.00 0.00 -0.08 0.00 -0.54 0.00 0.00 174.62 174.00 3gpo s ALA 55 N -3.34 0.61 -0.04 3.99 0.00 -1.26 -1.54 121.76 120.18 3gpo s ALA 55 Ca 0.35 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 3gpo s ALA 55 Cb 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3gpo s ALA 55 CO 0.15 0.09 0.00 0.21 0.00 0.00 0.00 175.76 176.22 3gpo s LYS 56 N -0.69 0.39 -0.14 0.00 2.20 0.27 -4.96 119.74 116.81 3gpo s LYS 56 Ca -0.01 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 3gpo s LYS 56 Cb -0.05 -0.66 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 3gpo s LYS 56 CO 0.00 -0.20 0.46 0.99 -0.36 0.00 0.00 175.35 176.24 3gpo s THR 57 N 1.41 5.19 0.00 3.43 2.01 -1.26 -0.59 115.64 125.83 3gpo s THR 57 Ca -0.04 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.84 3gpo s THR 57 Cb -0.13 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3gpo s THR 57 CO -0.03 0.30 0.00 0.52 -0.69 0.00 0.00 174.62 174.73 3gpo n VAL 58 N 3.85 0.00 -3.15 3.82 0.31 -0.31 -4.97 118.33 117.88 3gpo n VAL 58 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.30 3gpo n VAL 58 Cb 0.51 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.44 3gpo n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gpo n GLY 61 N 5.41 3.12 0.76 0.00 0.00 -1.26 -1.03 105.19 112.18 3gpo n GLY 61 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3gpo n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpo n THR 62 N 0.00 0.70 -3.11 2.61 -2.24 -1.26 -4.97 114.28 106.01 3gpo n THR 62 Ca 0.00 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 3gpo n THR 62 Cb 0.00 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 3gpo n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gpo s TYR 63 N -1.06 3.14 0.09 4.78 5.04 -0.20 -5.03 117.35 124.11 3gpo s TYR 63 Ca 0.26 0.29 -0.31 0.00 -2.44 0.00 0.00 57.07 54.88 3gpo s TYR 63 Cb 0.15 -3.17 -0.06 0.00 0.35 0.00 0.00 41.96 39.23 3gpo s TYR 63 CO 0.20 -0.66 1.21 -2.14 -1.34 0.00 0.00 175.55 172.82 3gpo s PRO 64 N 2.72 4.44 -0.24 4.97 0.02 -1.26 -0.21 135.00 145.43 3gpo s PRO 64 Ca 0.24 1.82 -0.03 0.00 0.02 0.00 0.00 61.00 63.05 3gpo s PRO 64 Cb -0.14 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 31.07 3gpo s PRO 64 CO 0.15 -0.23 -0.04 0.08 -0.33 0.00 0.00 177.00 176.63 3gpo s VAL 65 N 0.81 3.13 -0.54 3.83 1.01 -0.40 -2.22 120.40 126.01 3gpo s VAL 65 Ca 0.58 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3gpo s VAL 65 Cb -0.31 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.64 3gpo s VAL 65 CO 0.31 0.28 0.60 -0.63 0.00 0.00 0.00 175.10 175.66 3gpo s ILE 66 N 1.40 4.96 -0.48 2.22 1.01 0.11 -1.16 121.20 129.26 3gpo s ILE 66 Ca 0.03 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 3gpo s ILE 66 Cb -0.16 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.98 3gpo s ILE 66 CO -0.04 -0.91 1.18 -1.00 0.00 0.00 0.00 174.94 174.17 3gpo s HIS 67 N 2.33 2.74 -0.21 3.97 3.76 0.24 -0.64 115.29 127.48 3gpo s HIS 67 Ca 0.10 0.69 -0.05 0.00 -0.15 0.00 0.00 55.06 55.65 3gpo s HIS 67 Cb -0.24 -4.43 -0.02 0.00 1.11 0.00 0.00 32.58 29.00 3gpo s HIS 67 CO 0.07 -1.40 0.00 0.00 -0.85 0.00 0.00 174.74 172.57 3gpo s ALA 68 N 4.64 3.01 -0.46 -1.40 0.00 -0.40 -0.57 121.76 126.59 3gpo s ALA 68 Ca 0.50 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3gpo s ALA 68 Cb -0.08 -1.80 0.09 0.00 0.00 0.00 0.00 23.12 21.33 3gpo s ALA 68 CO 0.32 -0.24 0.34 0.08 0.00 0.00 0.00 175.76 176.25 3gpo s VAL 69 N 1.17 4.60 0.69 0.00 1.01 -0.59 -0.51 120.40 126.77 3gpo s VAL 69 Ca 0.03 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 3gpo s VAL 69 Cb -0.14 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3gpo s VAL 69 CO 0.01 -0.62 1.06 -0.83 0.00 0.00 0.00 175.10 174.72 3gpo s GLY 70 N 2.53 1.67 0.48 4.51 0.00 -1.26 -0.84 107.32 114.40 3gpo s GLY 70 Ca 0.04 0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.60 3gpo s GLY 70 CO 0.03 0.37 1.11 2.56 0.00 0.00 0.00 173.10 177.17 3gpo s PRO 71 N -5.06 3.73 -0.48 2.90 0.04 -1.26 -4.74 135.00 130.14 3gpo s PRO 71 Ca 0.58 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 3gpo s PRO 71 Cb -0.14 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.16 3gpo s PRO 71 CO 0.55 -0.53 1.04 1.21 0.04 0.00 0.00 177.00 179.30 3gpo s ASN 72 N -1.62 6.56 0.00 6.66 2.47 -1.26 -4.73 114.94 123.01 3gpo s ASN 72 Ca 0.66 0.27 0.08 0.00 0.42 0.00 0.00 52.86 54.29 3gpo s ASN 72 Cb -0.24 -2.50 0.37 0.00 -1.45 0.00 0.00 41.25 37.43 3gpo s ASN 72 CO 0.28 -1.17 1.25 0.49 -3.72 0.00 0.00 177.10 174.24 3gpo n PHE 73 N 7.54 0.00 0.10 0.43 3.72 -0.02 -0.72 117.46 128.51 3gpo n PHE 73 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 3gpo n PHE 73 Cb 0.49 -0.47 0.23 0.00 -0.94 0.00 0.00 39.48 38.79 3gpo n PHE 73 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3gpo h SER 74 N 0.00 0.22 0.19 4.37 0.02 -1.87 -3.34 113.55 113.14 3gpo h SER 74 Ca 0.00 -0.09 -0.34 0.00 -0.84 0.00 0.00 61.79 60.51 3gpo h SER 74 Cb 0.14 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3gpo h SER 74 CO 0.00 0.62 -2.09 0.59 -1.14 0.00 0.00 176.83 174.81 3gpo n ASN 75 N -4.02 1.00 -4.89 3.07 3.02 0.10 -4.97 115.26 108.57 3gpo n ASN 75 Ca -0.02 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.37 3gpo n ASN 75 Cb 0.48 0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 3gpo n ASN 75 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gpo s TYR 76 N -2.54 3.53 0.89 3.10 2.02 -0.57 -5.08 117.35 118.70 3gpo s TYR 76 Ca -0.14 0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 3gpo s TYR 76 Cb 0.07 -1.97 0.13 0.00 -0.40 0.00 0.00 41.96 39.80 3gpo s TYR 76 CO 0.78 0.54 1.11 -1.54 -1.57 0.00 0.00 175.55 174.87 3gpo s SER 77 N -2.09 3.34 0.20 2.29 1.04 -1.26 -4.72 113.70 112.50 3gpo s SER 77 Ca 0.34 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.55 3gpo s SER 77 Cb -0.13 -2.46 0.23 0.00 0.10 0.00 0.00 66.02 63.77 3gpo s SER 77 CO 0.21 -2.79 1.78 -0.33 0.98 0.00 0.00 173.24 173.10 3gpo h GLU 78 N -1.65 0.54 0.52 4.02 4.39 -1.98 0.12 114.58 120.54 3gpo h GLU 78 Ca -0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3gpo h GLU 78 Cb 1.27 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3gpo h GLU 78 CO 0.48 0.36 -0.25 1.03 -1.16 0.00 0.00 179.01 179.46 3gpo h SER 79 N 0.56 -0.59 -0.12 1.42 0.87 -2.00 -0.84 113.55 112.85 3gpo h SER 79 Ca 0.29 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3gpo h SER 79 Cb 0.24 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3gpo h SER 79 CO -0.22 -0.35 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.03 3gpo h GLU 80 N -0.81 0.64 -0.71 2.24 4.39 -1.92 -2.80 114.58 115.62 3gpo h GLU 80 Ca -0.07 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.27 3gpo h GLU 80 Cb 0.58 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 3gpo h GLU 80 CO 0.12 0.92 0.27 0.78 -1.16 0.00 0.00 179.01 179.94 3gpo h GLY 81 N 1.00 1.15 0.79 -3.84 0.00 -0.76 -1.44 103.07 99.96 3gpo h GLY 81 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 46.79 3gpo h GLY 81 CO 0.08 0.60 0.45 -1.80 0.00 0.00 0.00 176.54 175.87 3gpo h ASP 82 N 1.02 0.72 -0.43 0.19 3.58 -0.96 -0.60 116.42 119.94 3gpo h ASP 82 Ca 0.24 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 3gpo h ASP 82 Cb 0.23 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3gpo h ASP 82 CO -0.02 0.48 0.14 -0.09 -2.88 0.00 0.00 179.24 176.87 3gpo h ARG 83 N 0.86 0.67 -0.25 0.28 9.65 -1.19 -2.02 114.38 122.38 3gpo h ARG 83 Ca 0.31 -0.14 -0.11 0.00 -1.10 0.00 0.00 59.98 58.94 3gpo h ARG 83 Cb 0.10 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3gpo h ARG 83 CO -0.14 0.65 -0.30 0.93 2.80 0.00 0.00 179.97 183.91 3gpo h GLU 84 N 0.56 0.52 -0.14 0.20 4.39 -0.96 -0.84 114.58 118.31 3gpo h GLU 84 Ca 0.14 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3gpo h GLU 84 Cb 0.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3gpo h GLU 84 CO -0.00 0.76 0.03 1.25 -1.16 0.00 0.00 179.01 179.88 3gpo h LEU 85 N 0.45 0.22 -0.56 1.33 5.85 -1.02 0.43 115.31 122.02 3gpo h LEU 85 Ca 0.06 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.62 3gpo h LEU 85 Cb 0.75 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 3gpo h LEU 85 CO 0.06 0.41 0.14 0.00 -0.34 0.00 0.00 178.44 178.71 3gpo h ALA 86 N 0.81 0.66 -0.48 1.25 0.00 -1.28 -2.52 119.26 117.70 3gpo h ALA 86 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gpo h ALA 86 Cb 0.29 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gpo h ALA 86 CO 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.15 3gpo h ALA 87 N 1.43 0.63 -0.29 0.00 0.00 -0.81 -1.51 119.26 118.71 3gpo h ALA 87 Ca 0.28 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gpo h ALA 87 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gpo h ALA 87 CO -0.35 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.27 3gpo h ALA 88 N 1.03 0.34 -0.63 0.00 0.00 -0.65 -0.42 119.26 118.93 3gpo h ALA 88 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3gpo h ALA 88 Cb 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gpo h ALA 88 CO -0.01 -0.28 0.14 1.88 0.00 0.00 0.00 179.25 180.98 3gpo h TYR 89 N 0.26 1.04 -0.62 0.00 -1.99 -1.33 -1.03 116.97 113.30 3gpo h TYR 89 Ca 0.12 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 3gpo h TYR 89 Cb 0.07 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 3gpo h TYR 89 CO -0.12 0.86 0.24 0.00 -0.00 0.00 0.00 178.16 179.14 3gpo h ARG 90 N 0.95 0.91 -0.25 4.88 3.08 -0.49 -1.23 114.38 122.22 3gpo h ARG 90 Ca 0.20 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 3gpo h ARG 90 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3gpo h ARG 90 CO 0.00 0.76 -0.36 0.93 -1.07 0.00 0.00 179.97 180.23 3gpo h GLU 91 N 0.90 0.56 -0.06 0.04 4.39 -0.71 -2.16 114.58 117.54 3gpo h GLU 91 Ca 0.21 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3gpo h GLU 91 Cb 0.19 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3gpo h GLU 91 CO -0.02 0.84 -0.04 0.28 -1.16 0.00 0.00 179.01 178.91 3gpo h VAL 92 N 0.47 0.87 -0.85 3.13 2.07 -0.67 -1.84 116.25 119.44 3gpo h VAL 92 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3gpo h VAL 92 Cb 0.85 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3gpo h VAL 92 CO 0.07 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.19 3gpo h ALA 93 N 1.01 1.16 -0.58 1.67 0.00 -1.12 0.78 119.26 122.18 3gpo h ALA 93 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gpo h ALA 93 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3gpo h ALA 93 CO -0.09 0.28 0.30 0.87 0.00 0.00 0.00 179.25 180.61 3gpo h LYS 94 N 0.97 0.83 -0.31 0.00 1.57 -1.25 -0.74 116.57 117.64 3gpo h LYS 94 Ca 0.37 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3gpo h LYS 94 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3gpo h LYS 94 CO -0.17 0.65 0.03 0.93 -0.57 0.00 0.00 179.45 180.32 3gpo h GLU 95 N 0.79 0.53 -0.74 3.15 4.39 -0.47 0.45 114.58 122.68 3gpo h GLU 95 Ca 0.20 -0.16 0.12 0.00 0.34 0.00 0.00 59.36 59.87 3gpo h GLU 95 Cb 0.08 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 3gpo h GLU 95 CO -0.03 0.65 0.34 0.28 -1.16 0.00 0.00 179.01 179.09 3gpo h VAL 96 N 0.34 0.75 -0.14 3.13 2.07 -0.75 0.67 116.25 122.32 3gpo h VAL 96 Ca 0.09 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3gpo h VAL 96 Cb 0.39 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3gpo h VAL 96 CO 0.01 0.10 -0.01 0.74 0.02 0.00 0.00 177.57 178.43 3gpo h THR 97 N 0.54 1.26 -0.90 2.57 2.02 -0.82 -2.76 112.91 114.82 3gpo h THR 97 Ca 0.39 -0.88 0.09 0.00 0.77 0.00 0.00 66.41 66.78 3gpo h THR 97 Cb 0.51 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3gpo h THR 97 CO -0.34 0.26 0.58 -0.09 0.37 0.00 0.00 175.52 176.30 3gpo h ARG 98 N -0.03 0.90 0.00 6.66 2.43 -0.55 -2.23 114.38 121.58 3gpo h ARG 98 Ca 0.04 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3gpo h ARG 98 Cb 0.40 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3gpo h ARG 98 CO 0.01 0.60 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.65 3gpo h LEU 99 N 0.93 0.00 0.54 3.80 3.38 -0.83 -3.47 115.31 119.66 3gpo h LEU 99 Ca 0.41 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 3gpo h LEU 99 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3gpo h LEU 99 CO -0.17 0.34 -0.16 0.61 0.09 0.00 0.00 178.44 179.15 3gpo n GLY 100 N 0.55 0.78 3.78 0.83 0.00 -0.84 -5.00 105.19 105.29 3gpo n GLY 100 Ca 0.01 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3gpo n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpo s VAL 101 N -2.32 3.35 -0.33 1.61 -7.23 -1.22 -4.97 120.40 109.30 3gpo s VAL 101 Ca 0.00 0.72 0.23 0.00 -1.81 0.00 0.00 61.98 61.12 3gpo s VAL 101 Cb 0.00 -3.25 0.05 0.00 0.56 0.00 0.00 36.38 33.74 3gpo s VAL 101 CO 0.00 -0.29 1.16 0.78 -0.31 0.00 0.00 175.10 176.44 3gpo h ASN 102 N 0.67 0.00 -5.09 4.85 2.35 -1.94 -3.43 115.58 112.99 3gpo h ASN 102 Ca -0.48 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 3gpo h ASN 102 Cb 1.25 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.50 3gpo h ASN 102 CO 0.56 0.02 -0.01 -0.94 -1.65 0.00 0.00 177.43 175.41 3gpo s SER 103 N -5.27 -0.26 -0.20 5.81 1.04 -1.26 -1.08 113.70 112.48 3gpo s SER 103 Ca 0.02 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 3gpo s SER 103 Cb 0.10 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.82 3gpo s SER 103 CO 0.76 -0.97 0.50 0.54 0.98 0.00 0.00 173.24 175.05 3gpo s VAL 104 N -3.85 -0.01 -0.19 5.02 0.11 -0.61 -3.42 120.40 117.44 3gpo s VAL 104 Ca 0.07 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 3gpo s VAL 104 Cb 0.00 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3gpo s VAL 104 CO -0.06 0.02 0.30 0.00 -3.33 0.00 0.00 175.10 172.03 3gpo s ALA 105 N 1.28 3.58 -0.01 1.54 0.00 -0.21 -1.28 121.76 126.67 3gpo s ALA 105 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3gpo s ALA 105 Cb -0.07 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.60 3gpo s ALA 105 CO -0.13 -0.11 -0.00 -1.50 0.00 0.00 0.00 175.76 174.03 3gpo s ILE 106 N 0.89 0.08 0.62 0.00 2.07 -0.54 -0.24 121.20 124.09 3gpo s ILE 106 Ca 0.16 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.51 3gpo s ILE 106 Cb -0.14 -0.13 0.10 0.00 0.13 0.00 0.00 42.46 42.43 3gpo s ILE 106 CO 0.05 0.07 0.85 -2.16 -1.91 0.00 0.00 174.94 171.84 3gpo s PRO 107 N 0.44 2.12 -0.61 3.50 0.04 -1.26 -1.00 135.00 138.23 3gpo s PRO 107 Ca -0.04 -1.61 -0.21 0.00 0.04 0.00 0.00 61.00 59.19 3gpo s PRO 107 Cb -0.06 -2.58 0.08 0.00 0.04 0.00 0.00 34.50 31.98 3gpo s PRO 107 CO -0.01 -1.04 0.81 -0.51 0.04 0.00 0.00 177.00 176.29 3gpo s LEU 108 N -4.79 4.89 0.45 -3.56 1.43 -1.26 -4.93 118.68 110.92 3gpo s LEU 108 Ca 0.64 -1.16 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 3gpo s LEU 108 Cb -0.05 -2.39 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 3gpo s LEU 108 CO 0.41 -1.23 1.41 -0.76 0.23 0.00 0.00 176.35 176.41 3gpo s LEU 109 N 3.29 4.11 -1.42 1.79 1.43 -1.26 -2.98 118.68 123.64 3gpo s LEU 109 Ca 0.17 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 3gpo s LEU 109 Cb -0.20 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.07 3gpo s LEU 109 CO 0.09 -1.17 0.00 -1.20 0.23 0.00 0.00 176.35 174.30 3gpo n SER 110 N -0.21 -4.66 -0.69 2.29 7.64 -1.26 -4.78 113.62 111.95 3gpo n SER 110 Ca 0.05 0.33 0.08 0.00 1.01 0.00 0.00 58.87 60.35 3gpo n SER 110 Cb 0.42 -3.33 0.08 0.00 -1.01 0.00 0.00 64.21 60.36 3gpo n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gpo n THR 111 N -2.59 0.03 0.00 0.44 -2.24 -1.16 -3.26 114.28 105.49 3gpo n THR 111 Ca -0.13 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3gpo n THR 111 Cb 0.45 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3gpo n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpo n GLY 112 N 0.96 1.47 0.28 3.38 0.00 -1.26 -4.68 105.19 105.34 3gpo n GLY 112 Ca 0.10 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.28 3gpo n GLY 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gpo h VAL 113 N 0.00 0.14 -0.44 1.61 -1.51 -1.98 -1.77 116.25 112.31 3gpo h VAL 113 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3gpo h VAL 113 Cb 0.00 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 3gpo h VAL 113 CO 0.00 0.04 0.00 -1.22 -1.23 0.00 0.00 177.57 175.16 3gpo n TYR 114 N -3.20 0.58 0.72 5.19 4.02 -1.26 -4.44 117.16 118.77 3gpo n TYR 114 Ca -0.00 -0.29 0.12 0.00 -0.01 0.00 0.00 57.90 57.71 3gpo n TYR 114 Cb 0.27 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.07 3gpo n TYR 114 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gpo n SER 115 N 0.83 0.25 -2.11 7.72 3.41 -0.67 -0.84 113.62 122.22 3gpo n SER 115 Ca 0.16 0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 59.12 3gpo n SER 115 Cb 0.39 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3gpo n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpo n GLY 116 N 0.90 0.26 2.09 5.00 0.00 -1.26 -2.42 105.19 109.77 3gpo n GLY 116 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 3gpo n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpo n GLY 117 N -0.73 0.53 3.55 -0.02 0.00 -1.26 -4.87 105.19 102.40 3gpo n GLY 117 Ca -0.20 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3gpo n GLY 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpo s LYS 118 N -1.55 2.48 -0.27 1.61 2.20 -1.02 -5.07 119.74 118.13 3gpo s LYS 118 Ca 0.00 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 3gpo s LYS 118 Cb 0.00 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 3gpo s LYS 118 CO 0.00 0.60 1.81 0.34 -0.36 0.00 0.00 175.35 177.74 3gpo s ASP 119 N -1.26 6.00 -0.11 1.43 -1.08 -1.26 -4.85 116.67 115.54 3gpo s ASP 119 Ca 0.15 1.53 0.16 0.00 -0.52 0.00 0.00 52.55 53.88 3gpo s ASP 119 Cb -0.11 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.09 3gpo s ASP 119 CO 0.06 -1.58 1.14 0.54 0.52 0.00 0.00 175.17 175.85 3gpo n ARG 120 N 8.22 1.64 -0.07 4.34 1.74 -1.26 -4.79 116.66 126.47 3gpo n ARG 120 Ca 0.22 -2.43 -0.12 0.00 -0.77 0.00 0.00 57.85 54.75 3gpo n ARG 120 Cb 0.46 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 3gpo n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gpo h LEU 121 N 0.12 -1.47 -0.35 0.55 6.46 -1.93 -0.34 115.31 118.36 3gpo h LEU 121 Ca 0.00 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 3gpo h LEU 121 Cb 0.95 0.61 -0.02 0.00 -0.73 0.00 0.00 40.66 41.48 3gpo h LEU 121 CO 0.01 -0.41 0.17 0.74 -0.62 0.00 0.00 178.44 178.34 3gpo h THR 122 N -0.42 1.16 0.05 1.05 2.02 -1.99 -0.90 112.91 113.89 3gpo h THR 122 Ca 0.10 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3gpo h THR 122 Cb 0.61 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3gpo h THR 122 CO -0.50 0.17 -0.15 -0.61 0.37 0.00 0.00 175.52 174.80 3gpo h GLN 123 N 0.43 -0.27 -0.48 6.66 4.15 -1.83 -0.40 115.11 123.39 3gpo h GLN 123 Ca 0.12 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3gpo h GLN 123 Cb 0.12 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3gpo h GLN 123 CO -0.02 -0.18 0.00 1.03 -1.93 0.00 0.00 178.83 177.74 3gpo h SER 124 N -0.28 0.82 -0.57 -0.69 0.87 -0.90 -2.36 113.55 110.45 3gpo h SER 124 Ca 0.03 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 3gpo h SER 124 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3gpo h SER 124 CO -0.11 0.92 0.22 0.25 -0.53 0.00 0.00 176.83 177.59 3gpo h LEU 125 N 0.69 0.79 -0.82 2.23 5.85 -1.06 -0.90 115.31 122.08 3gpo h LEU 125 Ca 0.14 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3gpo h LEU 125 Cb 0.50 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3gpo h LEU 125 CO 0.02 0.75 0.54 0.78 -0.34 0.00 0.00 178.44 180.19 3gpo h ASN 126 N 0.78 0.92 -0.29 1.25 2.35 -0.81 -0.23 115.58 119.55 3gpo h ASN 126 Ca 0.19 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 3gpo h ASN 126 Cb 0.21 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3gpo h ASN 126 CO -0.01 0.66 -0.13 0.45 -1.65 0.00 0.00 177.43 176.74 3gpo h HIS 127 N 1.09 0.79 -0.02 1.19 3.86 -1.13 -2.59 115.15 118.34 3gpo h HIS 127 Ca 0.31 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3gpo h HIS 127 Cb -0.09 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 3gpo h HIS 127 CO -0.02 0.82 0.00 1.25 0.86 0.00 0.00 177.93 180.84 3gpo h LEU 128 N 0.65 0.00 -0.03 2.43 6.46 -0.51 -1.98 115.31 122.33 3gpo h LEU 128 Ca 0.11 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 3gpo h LEU 128 Cb 0.60 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3gpo h LEU 128 CO 0.04 0.00 -0.05 -0.26 -0.62 0.00 0.00 178.44 177.55 3gpo h PHE 129 N 0.01 -0.12 -0.58 1.25 0.04 -0.99 -3.01 116.94 113.54 3gpo h PHE 129 Ca 0.01 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3gpo h PHE 129 Cb 0.00 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3gpo h PHE 129 CO -0.08 -0.08 0.33 1.15 -0.60 0.00 0.00 178.31 179.03 3gpo h THR 130 N -0.07 1.02 0.00 -1.55 2.02 -1.40 0.08 112.91 113.01 3gpo h THR 130 Ca 0.03 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3gpo h THR 130 Cb 0.12 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3gpo h THR 130 CO -0.08 0.12 0.00 0.00 0.37 0.00 0.00 175.52 175.93 3gpo n ALA 131 N -2.31 1.76 0.00 6.16 0.00 -0.75 -4.25 120.51 121.12 3gpo n ALA 131 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gpo n ALA 131 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3gpo n ALA 131 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gpo n ASP 133 N -0.01 0.00 0.02 0.00 8.00 0.01 -4.32 116.55 120.26 3gpo n ASP 133 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 3gpo n ASP 133 Cb 0.07 -0.11 0.54 0.00 -0.02 0.00 0.00 41.12 41.60 3gpo n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gpo n SER 134 N 0.00 0.22 -4.96 -2.24 3.41 -1.26 -4.80 113.62 103.99 3gpo n SER 134 Ca 0.00 0.45 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 3gpo n SER 134 Cb 0.00 -0.48 0.05 0.00 -0.26 0.00 0.00 64.21 63.51 3gpo n SER 134 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gpo s THR 135 N -3.02 2.51 -0.14 6.66 -4.23 -1.26 -5.03 115.64 111.13 3gpo s THR 135 Ca 0.13 -0.87 0.18 0.00 -1.18 0.00 0.00 61.69 59.95 3gpo s THR 135 Cb 0.17 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.67 3gpo s THR 135 CO 0.56 0.00 1.16 -0.90 -0.54 0.00 0.00 174.62 174.90 3gpo n ASP 136 N -2.23 2.28 -4.85 3.99 5.68 -1.26 -3.83 116.55 116.33 3gpo n ASP 136 Ca 0.12 -3.16 -0.32 0.00 -0.50 0.00 0.00 54.79 50.92 3gpo n ASP 136 Cb 0.60 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3gpo n ASP 136 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gpo s ALA 137 N -2.90 3.19 -0.19 2.12 0.00 -1.26 -4.53 121.76 118.19 3gpo s ALA 137 Ca 0.32 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3gpo s ALA 137 Cb 0.29 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3gpo s ALA 137 CO 0.02 0.06 1.22 -0.51 0.00 0.00 0.00 175.76 176.56 3gpo s ASP 138 N -2.65 6.96 -0.22 0.00 1.01 -0.24 -3.16 116.67 118.38 3gpo s ASP 138 Ca 0.57 1.61 -0.09 0.00 0.71 0.00 0.00 52.55 55.35 3gpo s ASP 138 Cb -0.10 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3gpo s ASP 138 CO 0.23 -0.76 0.10 -0.69 0.21 0.00 0.00 175.17 174.26 3gpo s VAL 139 N 3.50 4.92 -0.22 -1.27 1.01 0.14 -1.58 120.40 126.91 3gpo s VAL 139 Ca 0.53 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3gpo s VAL 139 Cb -0.20 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3gpo s VAL 139 CO 0.14 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3gpo s VAL 140 N 0.85 2.24 -0.09 2.92 1.01 -0.40 -1.80 120.40 125.13 3gpo s VAL 140 Ca 0.05 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 3gpo s VAL 140 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3gpo s VAL 140 CO 0.03 0.31 0.56 -0.63 0.00 0.00 0.00 175.10 175.36 3gpo s ILE 141 N 1.24 5.12 -0.12 2.22 1.01 0.29 -1.46 121.20 129.50 3gpo s ILE 141 Ca -0.00 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.76 3gpo s ILE 141 Cb -0.16 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3gpo s ILE 141 CO -0.09 0.31 0.00 -0.31 0.00 0.00 0.00 174.94 174.85 3gpo s TYR 142 N 0.64 3.14 0.26 3.97 2.02 -0.17 -0.63 117.35 126.57 3gpo s TYR 142 Ca 0.30 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.05 3gpo s TYR 142 Cb -0.16 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3gpo s TYR 142 CO 0.13 0.26 0.18 0.00 -1.57 0.00 0.00 175.55 174.55 3gpo n ARG 144 N -0.44 5.24 -4.12 0.00 5.12 -1.26 -4.27 116.66 116.94 3gpo n ARG 144 Ca 0.03 -0.03 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 3gpo n ARG 144 Cb 0.65 -0.45 -0.09 0.00 -1.16 0.00 0.00 32.46 31.40 3gpo n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpo s ASP 145 N -0.76 5.54 0.19 0.55 2.15 -1.26 -5.02 116.67 118.06 3gpo s ASP 145 Ca 0.00 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 52.98 3gpo s ASP 145 Cb 0.00 -1.85 0.12 0.00 -0.30 0.00 0.00 42.92 40.90 3gpo s ASP 145 CO 0.00 0.24 1.85 0.50 -0.17 0.00 0.00 175.17 177.60 3gpo h LYS 146 N 6.17 0.80 -0.13 4.34 3.64 -2.00 -1.27 116.57 128.12 3gpo h LYS 146 Ca -0.41 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 3gpo h LYS 146 Cb 1.18 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3gpo h LYS 146 CO 0.65 0.53 -0.41 0.93 -2.27 0.00 0.00 179.45 178.88 3gpo h GLU 147 N 0.83 0.30 -0.42 1.90 4.39 -2.00 -2.87 114.58 116.71 3gpo h GLU 147 Ca 0.24 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3gpo h GLU 147 Cb -0.06 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3gpo h GLU 147 CO -0.07 0.66 -0.22 -1.49 -1.16 0.00 0.00 179.01 176.73 3gpo h TRP 148 N 0.25 0.95 -0.71 4.33 4.06 -1.90 -2.31 115.95 120.62 3gpo h TRP 148 Ca 0.02 -0.22 0.07 0.00 2.06 0.00 0.00 58.89 60.82 3gpo h TRP 148 Cb 0.83 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.71 3gpo h TRP 148 CO 0.02 0.98 0.40 1.49 -3.56 0.00 0.00 178.44 177.76 3gpo h GLU 149 N 0.73 0.70 -0.24 0.49 4.81 -1.03 -0.42 114.58 119.62 3gpo h GLU 149 Ca 0.10 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3gpo h GLU 149 Cb 0.75 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3gpo h GLU 149 CO 0.06 0.46 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.52 3gpo h LYS 150 N 0.72 0.46 -0.39 1.92 3.64 -1.40 -1.83 116.57 119.70 3gpo h LYS 150 Ca 0.33 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3gpo h LYS 150 Cb 0.23 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gpo h LYS 150 CO -0.20 0.69 0.24 0.87 -2.27 0.00 0.00 179.45 178.78 3gpo h LYS 151 N 0.20 0.47 -0.75 1.90 1.57 -0.98 0.30 116.57 119.28 3gpo h LYS 151 Ca 0.06 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3gpo h LYS 151 Cb 0.53 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3gpo h LYS 151 CO 0.02 0.31 0.33 0.82 -0.57 0.00 0.00 179.45 180.37 3gpo h ILE 152 N 0.49 1.25 -0.65 1.86 2.04 -1.10 -0.80 117.51 120.59 3gpo h ILE 152 Ca 0.15 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3gpo h ILE 152 Cb -0.02 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 3gpo h ILE 152 CO -0.05 0.30 0.37 0.28 0.00 0.00 0.00 178.15 179.05 3gpo h SER 153 N 1.07 0.80 -0.46 1.72 0.02 -0.73 -0.42 113.55 115.55 3gpo h SER 153 Ca 0.26 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3gpo h SER 153 Cb 0.16 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3gpo h SER 153 CO -0.03 0.64 0.28 -0.33 -1.14 0.00 0.00 176.83 176.25 3gpo h GLU 154 N 0.88 0.54 -0.53 3.45 5.08 0.14 -1.43 114.58 122.71 3gpo h GLU 154 Ca 0.23 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3gpo h GLU 154 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3gpo h GLU 154 CO -0.04 0.36 0.08 0.00 -1.00 0.00 0.00 179.01 178.40 3gpo h ALA 155 N 1.20 1.14 -0.33 3.43 0.00 -0.73 -2.57 119.26 121.40 3gpo h ALA 155 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gpo h ALA 155 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gpo h ALA 155 CO -0.08 0.57 0.17 0.82 0.00 0.00 0.00 179.25 180.73 3gpo h ILE 156 N 0.80 1.14 0.00 0.00 2.04 -0.77 -3.10 117.51 117.62 3gpo h ILE 156 Ca 0.17 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3gpo h ILE 156 Cb 0.37 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3gpo h ILE 156 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3gpo n GLN 157 N -4.77 0.19 0.00 2.37 1.13 -0.57 -5.07 117.38 110.66 3gpo n GLN 157 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3gpo n GLN 157 Cb 0.09 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3gpo n GLN 157 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51