#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo n ALA 22 N 0.00 -0.56 -3.58 3.17 0.00 -1.26 -4.98 120.51 113.30 2kgo n ALA 22 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 2kgo n ALA 22 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 2kgo n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kgo s SER 23 N -2.17 -0.62 0.00 0.00 0.15 -1.26 -4.92 113.70 104.89 2kgo s SER 23 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2kgo s SER 23 Cb 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2kgo s SER 23 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2kgo n GLY 24 N 3.75 0.52 0.13 9.45 0.00 -0.86 -4.92 105.19 113.26 2kgo n GLY 24 Ca -0.19 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 2kgo n GLY 24 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kgo n TRP 25 N -2.93 1.17 -1.97 1.61 4.27 -1.26 -4.76 117.44 113.56 2kgo n TRP 25 Ca 0.00 0.27 -0.05 0.00 -3.89 0.00 0.00 57.50 53.83 2kgo n TRP 25 Cb 0.00 -1.16 -0.04 0.00 -1.36 0.00 0.00 31.31 28.75 2kgo n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kgo n ALA 26 N -2.94 2.63 -3.21 -1.67 0.00 -1.26 -5.10 120.51 108.96 2kgo n ALA 26 Ca -0.30 -0.58 -0.00 0.00 0.00 0.00 0.00 53.44 52.56 2kgo n ALA 26 Cb 1.05 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 2kgo n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgo s ASN 27 N -0.81 -0.88 0.34 0.00 4.22 -1.26 -5.04 114.94 111.51 2kgo s ASN 27 Ca 0.01 0.39 -0.17 0.00 -2.14 0.00 0.00 52.86 50.94 2kgo s ASN 27 Cb 0.04 1.77 0.06 0.00 1.28 0.00 0.00 41.25 44.40 2kgo s ASN 27 CO -0.01 -0.29 0.85 -0.62 -2.04 0.00 0.00 177.10 174.98 2kgo s ASP 28 N 2.74 0.00 0.20 3.54 2.15 -1.26 -2.04 116.67 122.01 2kgo s ASP 28 Ca 0.15 -1.04 0.04 0.00 0.43 0.00 0.00 52.55 52.13 2kgo s ASP 28 Cb -0.13 0.78 0.10 0.00 -0.30 0.00 0.00 42.92 43.36 2kgo s ASP 28 CO -0.23 -1.54 1.45 -0.78 -0.17 0.00 0.00 175.17 173.91 2kgo h ASP 29 N 2.00 0.21 0.19 -0.34 3.58 -2.01 -2.80 116.42 117.25 2kgo h ASP 29 Ca -0.31 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2kgo h ASP 29 Cb 1.24 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2kgo h ASP 29 CO 0.40 0.90 0.00 0.00 -2.88 0.00 0.00 179.24 177.66 2kgo n ALA 30 N -2.45 2.31 -0.11 -0.78 0.00 -1.26 -3.00 120.51 115.22 2kgo n ALA 30 Ca -0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2kgo n ALA 30 Cb 0.74 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2kgo n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgo n VAL 31 N -1.12 1.37 0.51 0.00 0.31 -1.08 -4.47 118.33 113.85 2kgo n VAL 31 Ca 0.15 -0.61 0.07 0.00 -0.01 0.00 0.00 64.34 63.95 2kgo n VAL 31 Cb 0.13 -1.12 0.32 0.00 -0.91 0.00 0.00 33.84 32.26 2kgo n VAL 31 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kgo n ASN 32 N -3.07 0.02 -0.26 4.52 0.23 -1.08 -3.27 115.26 112.35 2kgo n ASN 32 Ca -0.40 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2kgo n ASN 32 Cb 1.00 -0.51 0.12 0.00 -2.08 0.00 0.00 39.78 38.32 2kgo n ASN 32 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2kgo h GLU 33 N 0.00 0.71 -0.06 -3.83 5.08 -1.78 -2.63 114.58 112.07 2kgo h GLU 33 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2kgo h GLU 33 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kgo h GLU 33 CO 0.00 0.47 -0.18 0.37 -1.00 0.00 0.00 179.01 178.67 2kgo h GLN 34 N 0.73 0.09 0.00 2.33 5.75 -1.88 -1.53 115.11 120.60 2kgo h GLN 34 Ca 0.34 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 2kgo h GLN 34 Cb 0.25 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2kgo h GLN 34 CO -0.21 0.27 -0.29 0.82 -2.65 0.00 0.00 178.83 176.77 2kgo h ILE 35 N 0.08 0.00 -4.16 2.39 1.08 -1.71 -3.46 117.51 111.73 2kgo h ILE 35 Ca 0.02 -0.65 -0.47 0.00 -0.39 0.00 0.00 64.86 63.37 2kgo h ILE 35 Cb 0.37 1.47 0.02 0.00 -3.07 0.00 0.00 36.82 35.61 2kgo h ILE 35 CO 0.03 0.00 0.37 0.21 -0.69 0.00 0.00 178.15 178.07 2kgo s ASN 36 N -4.88 6.56 0.00 1.72 3.84 -0.58 -4.96 114.94 116.64 2kgo s ASN 36 Ca 0.07 1.64 0.18 0.00 0.21 0.00 0.00 52.86 54.97 2kgo s ASN 36 Cb 0.11 -2.52 0.96 0.00 -0.55 0.00 0.00 41.25 39.24 2kgo s ASN 36 CO 0.67 -0.63 1.54 -1.54 -2.79 0.00 0.00 177.10 174.35 2kgo n SER 37 N -1.44 0.00 -0.24 -4.21 3.41 -1.26 -2.82 113.62 107.06 2kgo n SER 37 Ca 0.07 -0.10 -0.01 0.00 -0.26 0.00 0.00 58.87 58.56 2kgo n SER 37 Cb 0.54 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.45 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kgo h THR 38 N 0.00 1.22 -0.29 6.66 2.02 -1.93 -2.63 112.91 117.97 2kgo h THR 38 Ca 0.00 -0.52 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 2kgo h THR 38 Cb 0.13 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2kgo h THR 38 CO 0.00 0.24 -0.45 0.40 0.37 0.00 0.00 175.52 176.08 2kgo h ILE 39 N 1.06 1.29 -0.17 3.11 1.08 -1.77 -0.93 117.51 121.17 2kgo h ILE 39 Ca 0.27 -1.64 -0.13 0.00 -0.39 0.00 0.00 64.86 62.97 2kgo h ILE 39 Cb -0.00 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2kgo h ILE 39 CO -0.05 0.53 -0.45 1.05 -0.69 0.00 0.00 178.15 178.55 2kgo h GLU 40 N 0.58 0.42 -0.15 2.37 4.11 -1.73 -1.74 114.58 118.43 2kgo h GLU 40 Ca 0.02 -0.23 -0.15 0.00 0.07 0.00 0.00 59.36 59.08 2kgo h GLU 40 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kgo h GLU 40 CO 0.10 0.79 -0.53 0.22 0.07 0.00 0.00 179.01 179.67 2kgo h ASP 41 N 0.35 0.48 -0.67 3.06 3.58 -1.40 -0.35 116.42 121.47 2kgo h ASP 41 Ca 0.02 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 2kgo h ASP 41 Cb 0.92 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 2kgo h ASP 41 CO 0.08 0.92 0.19 0.00 -2.88 0.00 0.00 179.24 177.55 2kgo h ALA 42 N 1.09 0.88 0.00 -0.78 0.00 -0.78 -2.44 119.26 117.24 2kgo h ALA 42 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2kgo h ALA 42 Cb 1.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2kgo h ALA 42 CO 0.09 0.58 -0.50 0.82 0.00 0.00 0.00 179.25 180.24 2kgo h ILE 43 N 0.99 1.00 -0.50 0.00 1.08 -1.17 -1.55 117.51 117.35 2kgo h ILE 43 Ca 0.21 -2.01 -0.04 0.00 -0.39 0.00 0.00 64.86 62.63 2kgo h ILE 43 Cb 0.33 2.22 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 2kgo h ILE 43 CO -0.00 0.49 0.14 0.00 -0.69 0.00 0.00 178.15 178.09 2kgo h ALA 44 N 1.50 0.65 0.00 1.87 0.00 -0.78 -2.24 119.26 120.26 2kgo h ALA 44 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kgo h ALA 44 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kgo h ALA 44 CO 0.07 0.33 -0.45 2.89 0.00 0.00 0.00 179.25 182.08 2kgo n ARG 45 N -4.48 0.15 0.01 0.00 -4.01 -0.94 -2.57 116.66 104.82 2kgo n ARG 45 Ca 0.01 0.06 -0.01 0.00 -1.04 0.00 0.00 57.85 56.87 2kgo n ARG 45 Cb 0.21 -1.61 -0.01 0.00 -3.04 0.00 0.00 32.46 28.01 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kgo h ALA 46 N 2.74 -0.16 -0.00 2.89 0.00 -1.03 -3.43 119.26 120.27 2kgo h ALA 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kgo h ALA 46 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kgo h ALA 46 CO 0.00 -0.16 -0.07 2.89 0.00 0.00 0.00 179.25 181.91 2kgo n ARG 47 N -3.13 3.85 -2.50 0.00 1.85 -0.86 -5.01 116.66 110.85 2kgo n ARG 47 Ca -0.01 -0.23 -0.05 0.00 -1.00 0.00 0.00 57.85 56.56 2kgo n ARG 47 Cb 0.03 -0.76 0.01 0.00 -1.05 0.00 0.00 32.46 30.69 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kgo n GLY 48 N 0.74 0.43 0.20 2.89 0.00 -1.06 -5.00 105.19 103.39 2kgo n GLY 48 Ca 0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kgo h GLU 49 N -0.39 -0.41 -6.28 1.61 4.81 -1.74 -3.44 114.58 108.75 2kgo h GLU 49 Ca -0.13 0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 58.57 2kgo h GLU 49 Cb 1.09 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2kgo h GLU 49 CO 0.14 -0.25 0.62 0.42 -0.73 0.00 0.00 179.01 179.21 2kgo s ILE 50 N -2.99 4.56 0.92 2.32 -1.09 -1.26 -5.01 121.20 118.66 2kgo s ILE 50 Ca -0.07 1.85 -0.13 0.00 -2.23 0.00 0.00 60.65 60.08 2kgo s ILE 50 Cb 0.01 -4.19 0.14 0.00 -1.58 0.00 0.00 42.46 36.84 2kgo s ILE 50 CO 0.21 0.00 1.14 -2.16 -1.23 0.00 0.00 174.94 172.90 2kgo s PRO 51 N 2.08 1.07 -0.58 2.79 0.04 -1.26 -4.60 135.00 134.54 2kgo s PRO 51 Ca 0.51 0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 2kgo s PRO 51 Cb -0.21 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2kgo s PRO 51 CO 0.20 -2.24 2.73 0.54 0.04 0.00 0.00 177.00 178.26 2kgo n ARG 52 N -3.79 2.72 -1.64 4.56 1.74 -1.26 -4.52 116.66 114.47 2kgo n ARG 52 Ca 0.07 -2.50 -0.13 0.00 -0.77 0.00 0.00 57.85 54.52 2kgo n ARG 52 Cb 0.59 -2.21 -0.04 0.00 -1.02 0.00 0.00 32.46 29.78 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kgo n GLY 53 N 1.01 0.93 3.94 -0.13 0.00 -1.26 -5.02 105.19 104.66 2kgo n GLY 53 Ca 0.51 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2kgo n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgo s GLU 54 N -3.57 3.28 -0.21 1.61 2.02 -1.26 -3.84 118.70 116.72 2kgo s GLU 54 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 2kgo s GLU 54 Cb 0.00 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.67 2kgo s GLU 54 CO 0.00 -0.12 1.18 -1.12 0.02 0.00 0.00 175.26 175.22 2kgo s SER 55 N -4.14 6.96 0.90 -0.19 0.01 -1.26 -4.17 113.70 111.82 2kgo s SER 55 Ca 0.45 1.48 -0.14 0.00 1.31 0.00 0.00 55.95 59.05 2kgo s SER 55 Cb -0.10 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.74 2kgo s SER 55 CO 0.38 -0.78 1.26 -1.48 0.41 0.00 0.00 173.24 173.04 2kgo s LEU 56 N 3.51 2.60 0.00 2.44 0.05 -1.18 -4.92 118.68 121.19 2kgo s LEU 56 Ca 0.51 0.49 0.12 0.00 0.05 0.00 0.00 54.13 55.29 2kgo s LEU 56 Cb -0.18 -2.71 0.19 0.00 -2.05 0.00 0.00 46.19 41.44 2kgo s LEU 56 CO 0.13 -2.41 1.05 -0.90 -0.55 0.00 0.00 176.35 173.66 2kgo n ASP 57 N -3.59 2.42 -3.68 1.48 5.75 -1.26 -4.80 116.55 112.87 2kgo n ASP 57 Ca 0.12 -1.71 -0.25 0.00 -0.01 0.00 0.00 54.79 52.93 2kgo n ASP 57 Cb 0.60 -0.11 -0.17 0.00 -1.03 0.00 0.00 41.12 40.41 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kgo s GLU 58 N -0.99 0.29 0.15 0.11 2.02 -1.26 -1.83 118.70 117.19 2kgo s GLU 58 Ca 0.19 -0.11 -0.34 0.00 0.02 0.00 0.00 54.97 54.72 2kgo s GLU 58 Cb 0.11 -1.66 -0.15 0.00 0.10 0.00 0.00 34.13 32.53 2kgo s GLU 58 CO 0.16 -0.58 1.48 0.00 0.02 0.00 0.00 175.26 176.34 2kgo n GLU 60 N 2.95 0.16 -0.10 0.00 0.28 -0.67 -0.74 120.64 122.52 2kgo n GLU 60 Ca 0.17 0.05 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 2kgo n GLU 60 Cb 0.26 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.52 2kgo n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kgo n GLU 61 N -1.41 0.56 -0.22 3.44 -0.58 -1.26 -4.77 120.64 116.40 2kgo n GLU 61 Ca 0.09 0.55 0.01 0.00 -0.42 0.00 0.00 57.16 57.39 2kgo n GLU 61 Cb 0.26 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2kgo n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kgo n GLY 63 N -0.11 0.24 3.77 0.00 0.00 0.09 -4.95 105.19 104.23 2kgo n GLY 63 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2kgo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgo s ALA 64 N -1.15 3.00 -0.23 4.61 0.00 -1.26 -4.27 121.76 122.46 2kgo s ALA 64 Ca 0.00 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 2kgo s ALA 64 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2kgo s ALA 64 CO 0.00 -0.84 2.20 -2.14 0.00 0.00 0.00 175.76 174.99 2kgo s PRO 65 N -2.64 3.13 -0.13 0.00 0.02 -1.26 -1.95 135.00 132.17 2kgo s PRO 65 Ca 0.64 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 2kgo s PRO 65 Cb -0.33 -4.37 -0.05 0.00 0.02 0.00 0.00 34.50 29.77 2kgo s PRO 65 CO 0.40 -2.11 1.79 0.42 -0.33 0.00 0.00 177.00 177.17 2kgo s ILE 66 N 8.28 3.43 0.43 2.83 -1.09 -0.76 -4.81 121.20 129.50 2kgo s ILE 66 Ca 1.00 0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 59.66 2kgo s ILE 66 Cb -0.32 -3.40 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2kgo s ILE 66 CO 0.35 -0.14 1.32 -2.16 -1.23 0.00 0.00 174.94 173.08 2kgo s PRO 67 N 4.73 3.84 0.50 2.79 0.04 -1.26 -4.82 135.00 140.82 2kgo s PRO 67 Ca 0.80 2.17 0.34 0.00 0.04 0.00 0.00 61.00 64.35 2kgo s PRO 67 Cb -0.32 -2.67 1.76 0.00 0.04 0.00 0.00 34.50 33.31 2kgo s PRO 67 CO 0.33 -0.60 2.03 -0.56 0.04 0.00 0.00 177.00 178.24 2kgo h GLN 68 N 2.48 0.00 -0.45 4.56 -0.00 -1.96 -0.69 115.11 119.05 2kgo h GLN 68 Ca -0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.12 2kgo h GLN 68 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.71 2kgo h GLN 68 CO 0.62 0.00 0.16 0.00 -0.00 0.00 0.00 178.83 179.61 2kgo h ALA 69 N 2.02 0.59 -0.07 0.06 0.00 -2.00 -1.97 119.26 117.89 2kgo h ALA 69 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2kgo h ALA 69 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kgo h ALA 69 CO 0.00 0.22 -0.62 0.00 0.00 0.00 0.00 179.25 178.85 2kgo h ARG 70 N 0.58 0.26 -0.17 0.00 2.47 -1.51 -1.75 114.38 114.27 2kgo h ARG 70 Ca 0.15 -0.19 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 2kgo h ARG 70 Cb 0.23 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2kgo h ARG 70 CO -0.01 0.80 -0.36 0.00 0.56 0.00 0.00 179.97 180.96 2kgo h ARG 71 N 0.19 0.35 0.11 0.04 3.08 -1.28 -1.13 114.38 115.74 2kgo h ARG 71 Ca -0.01 -0.16 -0.33 0.00 0.07 0.00 0.00 59.98 59.55 2kgo h ARG 71 Cb 1.14 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2kgo h ARG 71 CO 0.10 0.67 -1.79 1.05 -1.07 0.00 0.00 179.97 178.93 2kgo h GLU 72 N 0.30 0.23 -0.22 0.04 4.11 -1.38 -3.39 114.58 114.27 2kgo h GLU 72 Ca 0.03 -0.40 -0.18 0.00 0.07 0.00 0.00 59.36 58.89 2kgo h GLU 72 Cb 0.77 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kgo h GLU 72 CO 0.06 1.07 -0.59 0.00 0.07 0.00 0.00 179.01 179.62 2kgo h ALA 73 N 0.36 0.55 -3.78 1.06 0.00 -1.31 -3.41 119.26 112.73 2kgo h ALA 73 Ca -0.34 -0.53 -0.66 0.00 0.00 0.00 0.00 54.91 53.38 2kgo h ALA 73 Cb 2.04 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 19.39 2kgo h ALA 73 CO 0.12 0.69 -0.80 0.42 0.00 0.00 0.00 179.25 179.68 2kgo s ILE 74 N -3.99 2.07 -0.23 0.00 1.01 -0.43 -5.08 121.20 114.55 2kgo s ILE 74 Ca -0.09 -1.53 -0.29 0.00 0.00 0.00 0.00 60.65 58.74 2kgo s ILE 74 Cb 0.10 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 2kgo s ILE 74 CO 0.87 0.00 1.56 -2.16 0.00 0.00 0.00 174.94 175.21 2kgo s PRO 75 N 1.16 3.82 -0.04 2.79 0.04 -1.26 -2.85 135.00 138.65 2kgo s PRO 75 Ca -0.08 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kgo s PRO 75 Cb -0.19 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2kgo s PRO 75 CO -0.06 -1.26 0.04 0.41 0.04 0.00 0.00 177.00 176.17 2kgo n GLY 76 N 4.59 0.89 3.75 0.56 0.00 -1.25 -4.89 105.19 108.84 2kgo n GLY 76 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2kgo n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgo s VAL 77 N -3.01 2.79 0.00 1.61 0.11 -1.13 -4.83 120.40 115.94 2kgo s VAL 77 Ca 0.02 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 2kgo s VAL 77 Cb -0.01 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2kgo s VAL 77 CO 0.02 0.14 0.65 -2.11 -3.33 0.00 0.00 175.10 170.47 2kgo n ARG 78 N 1.72 1.11 -4.42 1.54 -4.01 -1.26 -3.10 116.66 108.23 2kgo n ARG 78 Ca 0.04 -0.85 -0.26 0.00 -1.04 0.00 0.00 57.85 55.74 2kgo n ARG 78 Cb 0.41 -0.76 -0.17 0.00 -3.04 0.00 0.00 32.46 28.91 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kgo s LEU 79 N -0.41 1.56 0.74 2.89 1.43 -1.26 -1.67 118.68 121.98 2kgo s LEU 79 Ca 0.00 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 2kgo s LEU 79 Cb 0.00 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 45.39 2kgo s LEU 79 CO 0.00 -0.00 1.12 0.00 0.23 0.00 0.00 176.35 177.70 2kgo h ILE 81 N -0.68 0.39 0.01 0.00 2.10 -1.95 0.37 117.51 117.75 2kgo h ILE 81 Ca -0.45 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 2kgo h ILE 81 Cb 1.25 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2kgo h ILE 81 CO 0.51 0.00 -0.00 0.45 -1.08 0.00 0.00 178.15 178.02 2kgo h HIS 82 N 0.00 -0.01 0.00 2.19 -0.00 -1.98 -2.00 115.15 113.35 2kgo h HIS 82 Ca 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2kgo h HIS 82 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.81 2kgo h HIS 82 CO 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 177.93 178.57 2kgo h GLN 84 N 0.00 0.15 -0.99 0.00 -0.00 -0.38 -3.25 115.11 110.64 2kgo h GLN 84 Ca 0.00 -0.26 0.09 0.00 -0.00 0.00 0.00 58.65 58.48 2kgo h GLN 84 Cb 0.77 0.10 -0.07 0.00 0.00 0.00 0.00 27.48 28.28 2kgo h GLN 84 CO 0.00 1.12 0.63 -0.56 0.00 0.00 0.00 178.83 180.03 2kgo h GLN 85 N -0.64 1.04 -0.15 1.69 3.07 -1.48 0.27 115.11 118.91 2kgo h GLN 85 Ca -0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 58.65 58.48 2kgo h GLN 85 Cb 1.42 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 2kgo h GLN 85 CO 0.04 0.69 -0.08 1.05 0.09 0.00 0.00 178.83 180.61 2kgo h GLU 86 N 1.07 0.32 0.00 0.06 4.11 -1.73 -3.27 114.58 115.13 2kgo h GLU 86 Ca 0.45 -0.14 -0.05 0.00 0.07 0.00 0.00 59.36 59.70 2kgo h GLU 86 Cb 0.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kgo h GLU 86 CO -0.21 0.64 -0.23 0.87 0.07 0.00 0.00 179.01 180.16 2kgo h LYS 87 N -0.02 0.00 0.00 1.06 1.79 -1.37 -2.88 116.57 115.15 2kgo h LYS 87 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2kgo h LYS 87 Cb 0.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2kgo h LYS 87 CO 0.02 0.23 -0.11 0.22 -1.08 0.00 0.00 179.45 178.73 2kgo h ASP 88 N 0.00 0.00 1.12 0.86 3.58 -0.55 -1.00 116.42 120.44 2kgo h ASP 88 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 2kgo h ASP 88 Cb 0.91 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2kgo h ASP 88 CO 0.03 0.11 -0.83 -0.07 -2.88 0.00 0.00 179.24 175.60 2kgo h LEU 89 N 0.00 0.00 -0.74 2.28 3.38 -1.61 -3.31 115.31 115.31 2kgo h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kgo h LEU 89 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kgo h LEU 89 CO 0.01 0.83 -0.18 0.00 0.09 0.00 0.00 178.44 179.20 2kgo n GLN 90 N -3.34 1.20 -1.79 1.13 1.13 -0.46 -4.83 117.38 110.42 2kgo n GLN 90 Ca 0.01 -0.74 -0.42 0.00 -1.94 0.00 0.00 57.00 53.90 2kgo n GLN 90 Cb 0.86 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.70 2kgo n GLN 90 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kgo s LYS 91 N -2.31 3.99 0.33 -1.09 1.02 -0.72 -4.92 119.74 116.03 2kgo s LYS 91 Ca 0.29 2.34 0.01 0.00 0.02 0.00 0.00 55.97 58.62 2kgo s LYS 91 Cb 0.20 -4.13 0.55 0.00 -0.52 0.00 0.00 37.83 33.92 2kgo s LYS 91 CO 0.45 -1.11 1.96 -1.00 -0.92 0.00 0.00 175.35 174.73 2kgo h PRO 92 N 10.91 0.87 -0.32 -1.68 0.13 -1.93 -3.47 132.00 136.51 2kgo h PRO 92 Ca -0.44 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 2kgo h PRO 92 Cb 1.21 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 2kgo h PRO 92 CO 0.95 0.63 -0.12 0.00 -0.23 0.00 0.00 178.00 179.22 2kgo n ALA 93 N -2.44 -0.10 -2.33 -0.56 0.00 -1.26 -4.98 120.51 108.84 2kgo n ALA 93 Ca 0.06 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2kgo n ALA 93 Cb 0.08 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 2kgo n ALA 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kgo s TYR 94 N -1.91 0.85 -0.52 0.00 1.13 -1.26 -5.13 117.35 110.50 2kgo s TYR 94 Ca 0.00 -1.17 0.04 0.00 -1.41 0.00 0.00 57.07 54.53 2kgo s TYR 94 Cb 0.00 -0.39 0.13 0.00 -1.10 0.00 0.00 41.96 40.60 2kgo s TYR 94 CO 0.00 -0.62 0.28 0.95 -2.51 0.00 0.00 175.55 173.64 2kgo s THR 95 N -4.07 2.44 -0.48 -3.49 -4.23 -1.26 -4.98 115.64 99.57 2kgo s THR 95 Ca 0.28 -3.29 0.06 0.00 -1.18 0.00 0.00 61.69 57.55 2kgo s THR 95 Cb 0.06 -2.69 0.39 0.00 1.34 0.00 0.00 72.50 71.60 2kgo s THR 95 CO 0.05 -0.83 1.01 0.61 -0.54 0.00 0.00 174.62 174.92 2kgo n GLY 96 N 3.07 5.43 3.50 3.99 0.00 -1.26 -5.06 105.19 114.86 2kgo n GLY 96 Ca 0.07 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.23 2kgo n GLY 96 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgo s TYR 97 N -3.43 2.16 -0.68 1.61 1.13 -1.26 -5.08 117.35 111.80 2kgo s TYR 97 Ca 0.47 -0.74 -0.26 0.00 -1.41 0.00 0.00 57.07 55.12 2kgo s TYR 97 Cb 0.35 -1.37 -0.01 0.00 -1.10 0.00 0.00 41.96 39.83 2kgo s TYR 97 CO -0.15 0.28 1.77 -0.80 -2.51 0.00 0.00 175.55 174.15 2kgo s ASN 98 N -3.54 5.42 -0.54 -0.18 0.01 -1.26 -4.95 114.94 109.90 2kgo s ASN 98 Ca 0.33 0.05 -0.28 0.00 -0.71 0.00 0.00 52.86 52.25 2kgo s ASN 98 Cb 0.07 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.20 2kgo s ASN 98 CO 0.15 -2.32 1.43 -0.13 -1.51 0.00 0.00 177.10 174.72 2kgo s ARG 99 N 6.79 3.32 0.69 -0.60 0.52 -1.26 -5.01 118.95 123.39 2kgo s ARG 99 Ca 0.62 0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 56.21 2kgo s ARG 99 Cb -0.11 -4.12 0.01 0.00 0.52 0.00 0.00 34.95 31.26 2kgo s ARG 99 CO 0.16 -1.90 1.18 -0.98 0.02 0.00 0.00 175.30 173.78 2kgo s ARG 100 N 5.47 2.47 3.36 3.54 1.70 -1.26 -4.45 118.95 129.78 2kgo s ARG 100 Ca 0.54 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 57.47 2kgo s ARG 100 Cb -0.11 -1.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 2kgo s ARG 100 CO 0.26 -1.56 0.00 0.41 -1.08 0.00 0.00 175.30 173.33 2kgo n GLY 101 N 0.15 1.43 3.06 3.88 0.00 -1.26 -4.96 105.19 107.49 2kgo n GLY 101 Ca 0.13 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 2kgo n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgo n SER 102 N 4.29 -5.75 -4.74 1.61 7.64 -1.26 -4.94 113.62 110.46 2kgo n SER 102 Ca 0.00 -0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.18 2kgo n SER 102 Cb 0.00 -4.66 -0.05 0.00 -1.01 0.00 0.00 64.21 58.49 2kgo n SER 102 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kgo s LYS 103 N -5.74 4.74 -0.27 1.43 2.20 -1.26 -5.05 119.74 115.80 2kgo s LYS 103 Ca 0.31 1.51 -0.04 0.00 -0.36 0.00 0.00 55.97 57.39 2kgo s LYS 103 Cb -0.14 -3.32 0.15 0.00 -1.51 0.00 0.00 37.83 33.00 2kgo s LYS 103 CO 0.39 0.30 0.50 0.16 -0.36 0.00 0.00 175.35 176.34 2kgo s ASP 104 N -0.46 -0.63 -0.08 1.43 -4.77 -1.26 -5.06 116.67 105.84 2kgo s ASP 104 Ca 0.45 0.77 0.15 0.00 -3.30 0.00 0.00 52.55 50.62 2kgo s ASP 104 Cb -0.25 1.70 0.31 0.00 -1.09 0.00 0.00 42.92 43.59 2kgo s ASP 104 CO 0.32 -0.26 1.14 -1.20 0.70 0.00 0.00 175.17 175.87 2kgo n SER 105 N 5.40 1.22 -4.55 2.11 7.64 -1.26 -5.03 113.62 119.16 2kgo n SER 105 Ca -0.04 -2.72 -0.40 0.00 1.01 0.00 0.00 58.87 56.71 2kgo n SER 105 Cb 0.50 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2kgo n SER 105 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2kgo s GLN 106 N -1.41 3.13 -0.70 1.43 1.11 -1.26 -4.95 119.66 117.01 2kgo s GLN 106 Ca 0.28 -0.23 -0.27 0.00 0.01 0.00 0.00 55.36 55.15 2kgo s GLN 106 Cb 0.28 -4.41 0.03 0.00 -1.01 0.00 0.00 33.01 27.90 2kgo s GLN 106 CO -0.07 -2.29 1.30 -0.48 0.01 0.00 0.00 175.29 173.76 2kgo s LEU 107 N 6.32 3.22 0.00 2.90 2.34 -1.26 -5.35 118.68 126.85 2kgo s LEU 107 Ca 0.43 -0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.32 2kgo s LEU 107 Cb -0.08 -2.66 0.00 0.00 -0.56 0.00 0.00 46.19 42.89 2kgo s LEU 107 CO 0.12 -1.81 0.00 -2.11 -1.06 0.00 0.00 176.35 171.49