#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo s ALA 22 N 0.00 -2.94 -0.14 3.04 0.00 -1.26 -5.14 121.76 115.32 2kgo s ALA 22 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 2kgo s ALA 22 Cb 0.00 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.57 2kgo s ALA 22 CO 0.00 -1.84 0.37 0.45 0.00 0.00 0.00 175.76 174.74 2kgo s SER 23 N 2.88 -0.41 -0.08 0.00 0.15 -1.26 -4.85 113.70 110.14 2kgo s SER 23 Ca 0.16 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2kgo s SER 23 Cb -0.08 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2kgo s SER 23 CO -0.24 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2kgo n GLY 24 N 3.38 0.46 0.10 9.45 0.00 -1.26 -4.92 105.19 112.40 2kgo n GLY 24 Ca -0.17 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 2kgo n GLY 24 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2kgo h TRP 25 N 0.00 0.36 0.00 1.61 5.08 -2.01 -3.47 115.95 117.52 2kgo h TRP 25 Ca -0.02 -0.26 0.00 0.00 1.08 0.00 0.00 58.89 59.69 2kgo h TRP 25 Cb 0.19 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2kgo h TRP 25 CO 0.11 1.26 0.00 0.00 -1.28 0.00 0.00 178.44 178.53 2kgo n ALA 26 N -2.56 0.00 -2.22 0.11 0.00 -1.26 -5.07 120.51 109.51 2kgo n ALA 26 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 2kgo n ALA 26 Cb 1.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 2kgo n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kgo n ASN 27 N -2.10 -4.94 -4.77 0.00 4.13 -1.26 -4.95 115.26 101.37 2kgo n ASN 27 Ca 0.00 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.11 2kgo n ASN 27 Cb 0.00 -4.20 0.10 0.00 -1.54 0.00 0.00 39.78 34.14 2kgo n ASN 27 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2kgo s ASP 28 N -2.13 4.19 0.32 6.41 1.01 -1.26 -4.94 116.67 120.28 2kgo s ASP 28 Ca 0.00 1.50 0.07 0.00 0.71 0.00 0.00 52.55 54.84 2kgo s ASP 28 Cb 0.00 -2.23 0.56 0.00 1.01 0.00 0.00 42.92 42.26 2kgo s ASP 28 CO 0.00 -2.19 1.78 -0.78 0.21 0.00 0.00 175.17 174.19 2kgo h ASP 29 N -1.24 0.27 0.16 0.27 3.58 -2.00 -2.32 116.42 115.14 2kgo h ASP 29 Ca -0.47 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.89 2kgo h ASP 29 Cb 1.26 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2kgo h ASP 29 CO 0.56 0.56 0.00 0.00 -2.88 0.00 0.00 179.24 177.48 2kgo h ALA 30 N 1.46 1.00 0.02 -0.78 0.00 -2.01 -1.98 119.26 116.97 2kgo h ALA 30 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 2kgo h ALA 30 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2kgo h ALA 30 CO 0.05 0.00 -2.01 0.28 0.00 0.00 0.00 179.25 177.56 2kgo n VAL 31 N -2.53 1.57 0.29 0.00 0.31 -0.89 -3.80 118.33 113.28 2kgo n VAL 31 Ca -0.01 -0.77 0.16 0.00 -0.01 0.00 0.00 64.34 63.71 2kgo n VAL 31 Cb 0.09 -1.04 0.88 0.00 -0.91 0.00 0.00 33.84 32.86 2kgo n VAL 31 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2kgo h ASN 32 N 0.01 0.00 0.49 4.52 2.35 -1.18 -1.63 115.58 120.14 2kgo h ASN 32 Ca -0.41 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.15 2kgo h ASN 32 Cb 2.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.43 2kgo h ASN 32 CO 0.05 0.05 -0.83 -0.33 -1.65 0.00 0.00 177.43 174.73 2kgo h GLU 33 N 0.00 0.24 -0.01 0.81 5.08 -1.59 0.76 114.58 119.87 2kgo h GLU 33 Ca -0.00 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 2kgo h GLU 33 Cb 0.21 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2kgo h GLU 33 CO 0.01 0.94 -0.77 1.96 -1.00 0.00 0.00 179.01 180.14 2kgo h GLN 34 N 0.15 0.14 0.00 2.33 1.08 -1.42 -3.37 115.11 114.02 2kgo h GLN 34 Ca -0.04 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2kgo h GLN 34 Cb 1.43 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 2kgo h GLN 34 CO 0.13 0.84 -0.44 -0.89 -0.95 0.00 0.00 178.83 177.53 2kgo n ILE 35 N -3.70 1.15 -1.21 2.54 5.41 -0.92 -4.98 119.36 117.65 2kgo n ILE 35 Ca -0.02 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 63.90 2kgo n ILE 35 Cb 0.74 -2.22 -0.04 0.00 -0.71 0.00 0.00 39.64 37.41 2kgo n ILE 35 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2kgo n ASN 36 N -4.15 -2.72 -1.45 4.38 6.94 0.26 -4.84 115.26 113.67 2kgo n ASN 36 Ca -0.06 0.23 -0.02 0.00 -0.02 0.00 0.00 54.58 54.70 2kgo n ASN 36 Cb 0.23 -2.56 0.01 0.00 -2.36 0.00 0.00 39.78 35.09 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2kgo n SER 37 N -0.03 4.95 -0.10 0.53 7.64 -1.26 -3.13 113.62 122.21 2kgo n SER 37 Ca -0.09 -2.41 -0.22 0.00 1.01 0.00 0.00 58.87 57.15 2kgo n SER 37 Cb 0.33 -0.98 -0.12 0.00 -1.01 0.00 0.00 64.21 62.42 2kgo n SER 37 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kgo n THR 38 N 1.12 1.57 0.12 0.44 -1.04 -1.26 -3.96 114.28 111.27 2kgo n THR 38 Ca 0.04 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.05 61.44 2kgo n THR 38 Cb 0.53 -1.68 -0.08 0.00 -1.82 0.00 0.00 70.33 67.28 2kgo n THR 38 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2kgo h ILE 39 N -0.36 0.86 0.00 12.58 1.08 -1.97 -1.76 117.51 127.95 2kgo h ILE 39 Ca -0.55 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 63.48 2kgo h ILE 39 Cb 1.79 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 2kgo h ILE 39 CO -0.15 0.09 -0.20 1.05 -0.69 0.00 0.00 178.15 178.24 2kgo h GLU 40 N -0.48 0.00 -0.35 2.37 9.09 -1.83 -2.81 114.58 120.57 2kgo h GLU 40 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 2kgo h GLU 40 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 2kgo h GLU 40 CO 0.05 0.20 0.08 0.22 0.05 0.00 0.00 179.01 179.61 2kgo h ASP 41 N 0.00 0.54 -0.88 3.06 3.58 -1.65 -0.29 116.42 120.78 2kgo h ASP 41 Ca -0.00 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2kgo h ASP 41 Cb 0.99 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 2kgo h ASP 41 CO 0.03 0.64 0.46 0.00 -2.88 0.00 0.00 179.24 177.48 2kgo h ALA 42 N 0.92 1.13 0.00 -0.78 0.00 -1.09 -0.70 119.26 118.74 2kgo h ALA 42 Ca 0.11 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2kgo h ALA 42 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kgo h ALA 42 CO 0.00 0.66 -0.83 0.82 0.00 0.00 0.00 179.25 179.90 2kgo h ILE 43 N 1.24 1.58 -0.04 0.00 1.08 -1.47 -3.07 117.51 116.83 2kgo h ILE 43 Ca 0.31 -2.79 -0.19 0.00 -0.39 0.00 0.00 64.86 61.80 2kgo h ILE 43 Cb 0.07 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 2kgo h ILE 43 CO -0.04 0.80 -0.80 0.00 -0.69 0.00 0.00 178.15 177.41 2kgo h ALA 44 N 1.15 0.55 -0.00 1.87 0.00 -0.68 -1.92 119.26 120.23 2kgo h ALA 44 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kgo h ALA 44 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2kgo h ALA 44 CO 0.11 0.81 -0.13 2.89 0.00 0.00 0.00 179.25 182.93 2kgo n ARG 45 N -3.77 0.16 -0.09 0.00 1.85 -0.30 -2.05 116.66 112.46 2kgo n ARG 45 Ca -0.04 -0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 56.67 2kgo n ARG 45 Cb 0.75 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.63 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kgo n ALA 46 N -1.38 0.79 -0.14 2.89 0.00 -1.16 -4.86 120.51 116.64 2kgo n ALA 46 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2kgo n ALA 46 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2kgo n ALA 46 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kgo n ARG 47 N -4.49 1.92 -2.24 0.00 -4.01 -0.74 -5.07 116.66 102.03 2kgo n ARG 47 Ca -0.16 -0.21 -0.01 0.00 -1.04 0.00 0.00 57.85 56.43 2kgo n ARG 47 Cb 0.48 -0.65 0.00 0.00 -3.04 0.00 0.00 32.46 29.25 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kgo n GLY 48 N 0.33 -0.83 0.00 2.89 0.00 -0.87 -5.00 105.19 101.71 2kgo n GLY 48 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgo n GLU 49 N -1.10 0.00 -3.14 1.61 4.07 -1.24 -4.95 120.64 115.89 2kgo n GLU 49 Ca 0.02 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.73 2kgo n GLU 49 Cb 0.42 -0.24 -0.05 0.00 -0.06 0.00 0.00 31.44 31.51 2kgo n GLU 49 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kgo s ILE 50 N 0.00 4.90 0.79 6.31 1.01 -1.26 -5.02 121.20 127.92 2kgo s ILE 50 Ca 0.00 1.35 -0.12 0.00 0.00 0.00 0.00 60.65 61.88 2kgo s ILE 50 Cb 0.00 -3.98 0.19 0.00 0.01 0.00 0.00 42.46 38.68 2kgo s ILE 50 CO 0.00 0.38 0.43 -0.81 0.00 0.00 0.00 174.94 174.94 2kgo n PRO 51 N 2.93 -2.76 -0.42 2.79 -0.04 -1.26 -4.87 135.00 131.38 2kgo n PRO 51 Ca -0.05 -0.73 -0.06 0.00 -0.04 0.00 0.00 63.50 62.62 2kgo n PRO 51 Cb 0.51 -1.05 0.09 0.00 -0.04 0.00 0.00 33.50 33.00 2kgo n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgo n ARG 52 N -3.25 1.70 -2.45 0.54 3.00 -1.26 -4.79 116.66 110.15 2kgo n ARG 52 Ca 0.07 -1.11 -0.04 0.00 -0.01 0.00 0.00 57.85 56.76 2kgo n ARG 52 Cb 0.30 -1.52 0.02 0.00 0.00 0.00 0.00 32.46 31.26 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kgo n GLY 53 N -0.02 -0.61 3.53 -0.13 0.00 -1.26 -4.94 105.19 101.76 2kgo n GLY 53 Ca 0.19 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.34 -0.77 -0.12 1.61 2.02 -1.26 -4.45 118.70 112.39 2kgo s GLU 54 Ca 0.11 0.63 -0.33 0.00 0.02 0.00 0.00 54.97 55.41 2kgo s GLU 54 Cb -0.01 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.53 2kgo s GLU 54 CO 0.43 -3.57 1.98 0.43 0.02 0.00 0.00 175.26 174.56 2kgo n SER 55 N -4.78 3.40 -4.46 -0.19 7.64 -1.26 -4.61 113.62 109.36 2kgo n SER 55 Ca 0.04 0.79 -0.27 0.00 1.01 0.00 0.00 58.87 60.44 2kgo n SER 55 Cb 0.56 -1.41 0.14 0.00 -1.01 0.00 0.00 64.21 62.49 2kgo n SER 55 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kgo s LEU 56 N 5.14 2.82 0.00 -3.43 0.05 -1.11 -4.91 118.68 117.24 2kgo s LEU 56 Ca 0.95 0.08 0.09 0.00 0.05 0.00 0.00 54.13 55.31 2kgo s LEU 56 Cb -0.62 -2.33 0.11 0.00 -2.05 0.00 0.00 46.19 41.31 2kgo s LEU 56 CO 0.47 -2.24 0.88 -0.90 -0.55 0.00 0.00 176.35 174.01 2kgo n ASP 57 N -3.30 1.98 -3.66 1.48 5.75 -1.26 -4.82 116.55 112.71 2kgo n ASP 57 Ca 0.14 -1.51 -0.22 0.00 -0.01 0.00 0.00 54.79 53.19 2kgo n ASP 57 Cb 0.60 -0.04 -0.18 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.83 0.03 -0.12 0.11 2.02 -1.26 -1.84 118.70 116.81 2kgo s GLU 58 Ca 0.13 0.19 -0.36 0.00 0.02 0.00 0.00 54.97 54.95 2kgo s GLU 58 Cb 0.08 -1.00 -0.13 0.00 0.10 0.00 0.00 34.13 33.17 2kgo s GLU 58 CO 0.12 -0.45 1.78 0.00 0.02 0.00 0.00 175.26 176.74 2kgo n GLU 60 N 5.75 1.23 -0.10 0.00 0.28 -1.08 -0.17 120.64 126.56 2kgo n GLU 60 Ca 0.23 -0.30 -0.17 0.00 -0.16 0.00 0.00 57.16 56.76 2kgo n GLU 60 Cb 0.23 -1.17 -0.09 0.00 1.43 0.00 0.00 31.44 31.85 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 -0.20 0.48 -0.35 3.44 -0.58 -1.26 -4.86 120.64 117.31 2kgo n GLU 61 Ca 0.03 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2kgo n GLU 61 Cb 0.13 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.00 0.89 3.76 0.00 0.00 0.76 -4.95 105.19 105.65 2kgo n GLY 63 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.68 3.43 -0.30 4.61 0.00 -1.26 -4.49 121.76 122.07 2kgo s ALA 64 Ca 0.00 0.98 -0.34 0.00 0.00 0.00 0.00 51.96 52.60 2kgo s ALA 64 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 2kgo s ALA 64 CO 0.00 -0.28 2.14 -2.30 0.00 0.00 0.00 175.76 175.32 2kgo n PRO 65 N 1.24 1.32 -2.09 0.00 -0.02 -1.26 -1.82 135.00 132.37 2kgo n PRO 65 Ca -0.00 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 2kgo n PRO 65 Cb 0.44 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kgo s ILE 66 N 6.96 3.66 0.54 4.25 -1.09 -0.76 -4.87 121.20 129.88 2kgo s ILE 66 Ca 1.06 0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 60.03 2kgo s ILE 66 Cb -0.78 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 36.38 2kgo s ILE 66 CO 0.48 -0.27 1.14 -2.16 -1.23 0.00 0.00 174.94 172.90 2kgo s PRO 67 N 4.70 3.38 0.64 2.79 0.04 -1.26 -4.84 135.00 140.45 2kgo s PRO 67 Ca 0.73 1.65 0.40 0.00 0.04 0.00 0.00 61.00 63.81 2kgo s PRO 67 Cb -0.26 -2.05 2.23 0.00 0.04 0.00 0.00 34.50 34.46 2kgo s PRO 67 CO 0.30 -0.84 2.33 -0.56 0.04 0.00 0.00 177.00 178.27 2kgo h GLN 68 N 1.28 0.00 -0.32 4.56 3.07 -1.97 -1.64 115.11 120.07 2kgo h GLN 68 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2kgo h GLN 68 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.81 2kgo h GLN 68 CO 0.57 0.00 0.21 0.00 0.09 0.00 0.00 178.83 179.70 2kgo h ALA 69 N 1.99 0.41 -0.04 0.06 0.00 -1.99 -0.82 119.26 118.86 2kgo h ALA 69 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2kgo h ALA 69 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kgo h ALA 69 CO -0.00 -0.13 -0.63 0.00 0.00 0.00 0.00 179.25 178.49 2kgo h ARG 70 N 0.43 0.17 -0.05 0.00 2.47 -1.69 -1.81 114.38 113.90 2kgo h ARG 70 Ca 0.12 -0.12 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 2kgo h ARG 70 Cb -0.04 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2kgo h ARG 70 CO -0.03 0.74 -0.74 0.00 0.56 0.00 0.00 179.97 180.49 2kgo h ARG 71 N 0.12 0.30 0.18 0.04 3.08 -1.14 -1.37 114.38 115.60 2kgo h ARG 71 Ca -0.01 -0.26 -0.35 0.00 0.07 0.00 0.00 59.98 59.43 2kgo h ARG 71 Cb 1.13 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.25 2kgo h ARG 71 CO 0.09 0.92 -1.77 1.05 -1.07 0.00 0.00 179.97 179.19 2kgo h GLU 72 N 0.20 0.38 0.33 0.04 4.11 -1.20 -3.40 114.58 115.04 2kgo h GLU 72 Ca -0.03 -0.66 -0.02 0.00 0.07 0.00 0.00 59.36 58.73 2kgo h GLU 72 Cb 1.32 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2kgo h GLU 72 CO 0.12 1.31 -0.16 0.00 0.07 0.00 0.00 179.01 180.35 2kgo h ALA 73 N 0.12 -0.44 -2.69 1.06 0.00 -1.40 -3.43 119.26 112.49 2kgo h ALA 73 Ca -0.35 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2kgo h ALA 73 Cb 2.10 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.94 2kgo h ALA 73 CO 0.17 -0.54 -0.06 0.42 0.00 0.00 0.00 179.25 179.24 2kgo s ILE 74 N -4.31 5.11 -0.70 0.00 1.01 -0.51 -4.98 121.20 116.82 2kgo s ILE 74 Ca -0.13 0.88 -0.07 0.00 0.00 0.00 0.00 60.65 61.32 2kgo s ILE 74 Cb 0.02 -3.81 -0.17 0.00 0.01 0.00 0.00 42.46 38.50 2kgo s ILE 74 CO 0.49 0.16 3.30 -0.81 0.00 0.00 0.00 174.94 178.08 2kgo n PRO 75 N 5.01 2.77 0.00 2.79 -0.04 -1.26 -3.86 135.00 140.40 2kgo n PRO 75 Ca -0.05 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2kgo n PRO 75 Cb 0.50 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2kgo n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgo n GLY 76 N 2.82 -0.14 3.75 0.55 0.00 -1.26 -4.67 105.19 106.24 2kgo n GLY 76 Ca 0.58 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 4.38 -0.01 1.61 0.11 -1.25 -4.74 120.40 120.50 2kgo s VAL 77 Ca 0.00 1.88 0.01 0.00 -2.93 0.00 0.00 61.98 60.95 2kgo s VAL 77 Cb 0.00 -4.23 0.02 0.00 -1.53 0.00 0.00 36.38 30.64 2kgo s VAL 77 CO 0.00 0.44 0.77 -2.11 -3.33 0.00 0.00 175.10 170.87 2kgo n ARG 78 N 2.06 0.43 -3.77 1.54 -4.01 -1.26 -2.77 116.66 108.89 2kgo n ARG 78 Ca -0.02 -0.93 -0.14 0.00 -1.04 0.00 0.00 57.85 55.72 2kgo n ARG 78 Cb 0.49 -0.63 -0.15 0.00 -3.04 0.00 0.00 32.46 29.12 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 -0.33 0.97 0.86 2.89 1.43 -1.26 -2.62 118.68 120.63 2kgo s LEU 79 Ca 0.02 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 2kgo s LEU 79 Cb 0.02 0.12 0.11 0.00 0.03 0.00 0.00 46.19 46.47 2kgo s LEU 79 CO 0.00 -0.13 1.11 0.00 0.23 0.00 0.00 176.35 177.56 2kgo h ILE 81 N -1.53 0.54 0.10 0.00 2.10 -1.95 0.36 117.51 117.12 2kgo h ILE 81 Ca -0.45 -0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.48 2kgo h ILE 81 Cb 1.26 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 2kgo h ILE 81 CO 0.48 0.00 -0.05 0.45 -1.08 0.00 0.00 178.15 177.96 2kgo h HIS 82 N 0.01 -0.12 0.00 2.19 3.86 -2.00 -2.39 115.15 116.69 2kgo h HIS 82 Ca 0.44 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 2kgo h HIS 82 Cb 1.75 0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.26 2kgo h HIS 82 CO -0.00 0.34 0.00 0.00 0.86 0.00 0.00 177.93 179.13 2kgo h GLN 84 N 0.00 0.32 -0.99 0.00 -0.00 -0.38 -3.10 115.11 110.96 2kgo h GLN 84 Ca 0.00 -0.54 0.01 0.00 -0.00 0.00 0.00 58.65 58.11 2kgo h GLN 84 Cb 0.79 0.20 -0.05 0.00 0.00 0.00 0.00 27.48 28.42 2kgo h GLN 84 CO 0.00 1.26 0.64 -0.56 0.00 0.00 0.00 178.83 180.17 2kgo h GLN 85 N -0.29 1.31 -0.21 1.69 3.07 -1.55 0.16 115.11 119.30 2kgo h GLN 85 Ca -0.20 -0.09 -0.10 0.00 0.09 0.00 0.00 58.65 58.36 2kgo h GLN 85 Cb 1.75 -0.29 -0.00 0.00 0.08 0.00 0.00 27.48 29.01 2kgo h GLN 85 CO 0.14 0.88 -0.25 1.05 0.09 0.00 0.00 178.83 180.74 2kgo h GLU 86 N 1.34 0.53 0.00 0.06 4.11 -1.70 -3.22 114.58 115.70 2kgo h GLU 86 Ca 0.36 -0.30 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 2kgo h GLU 86 Cb -0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2kgo h GLU 86 CO -0.08 0.89 -0.20 0.87 0.07 0.00 0.00 179.01 180.57 2kgo h LYS 87 N 0.21 0.00 -0.70 1.06 1.79 -1.40 -2.78 116.57 114.75 2kgo h LYS 87 Ca 0.03 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 2kgo h LYS 87 Cb 0.81 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 2kgo h LYS 87 CO 0.06 0.20 0.47 0.22 -1.08 0.00 0.00 179.45 179.31 2kgo h ASP 88 N 0.00 0.80 0.60 0.86 3.58 -0.69 -1.79 116.42 119.78 2kgo h ASP 88 Ca -0.00 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 2kgo h ASP 88 Cb 0.79 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2kgo h ASP 88 CO 0.03 0.57 -0.55 -0.07 -2.88 0.00 0.00 179.24 176.34 2kgo h LEU 89 N 0.94 0.00 -0.06 2.28 3.38 -1.56 -3.16 115.31 117.13 2kgo h LEU 89 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2kgo h LEU 89 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2kgo h LEU 89 CO -0.06 0.55 -0.22 0.00 0.09 0.00 0.00 178.44 178.80 2kgo n GLN 90 N -3.82 0.17 -2.37 1.13 1.13 -0.71 -4.80 117.38 108.12 2kgo n GLN 90 Ca -0.01 -0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.57 2kgo n GLN 90 Cb 0.57 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 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 -2.87 4.45 0.00 -1.09 1.02 -0.98 -4.90 119.74 115.37 2kgo s LYS 91 Ca 0.16 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.02 2kgo s LYS 91 Cb 0.19 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2kgo s LYS 91 CO 0.58 -0.19 0.57 -0.35 -0.92 0.00 0.00 175.35 175.05 2kgo n PRO 92 N 3.17 0.98 -0.92 -1.68 -0.04 -1.26 -4.81 135.00 130.44 2kgo n PRO 92 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2kgo n PRO 92 Cb 0.45 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2kgo n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgo n ALA 93 N -0.08 0.00 -3.10 0.55 0.00 -1.26 -4.97 120.51 111.66 2kgo n ALA 93 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2kgo n ALA 93 Cb 0.20 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.98 0.33 -0.07 0.00 -0.85 -1.26 -5.08 117.35 108.43 2kgo s TYR 94 Ca 0.00 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.87 2kgo s TYR 94 Cb 0.00 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 2kgo s TYR 94 CO 0.00 -0.93 -0.06 -2.37 -1.52 0.00 0.00 175.55 170.66 2kgo n THR 95 N -0.35 0.42 -3.60 -3.49 5.66 -1.26 -5.08 114.28 106.58 2kgo n THR 95 Ca -0.03 -0.16 -0.21 0.00 -3.05 0.00 0.00 64.05 60.60 2kgo n THR 95 Cb 0.62 -0.76 0.05 0.00 -1.55 0.00 0.00 70.33 68.69 2kgo n THR 95 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kgo n GLY 96 N 3.15 -0.50 3.76 1.09 0.00 -1.26 -4.95 105.19 106.48 2kgo n GLY 96 Ca -0.13 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2kgo n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kgo s TYR 97 N -3.56 3.10 -0.01 1.61 1.51 -1.26 -4.94 117.35 113.80 2kgo s TYR 97 Ca 0.12 1.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.57 2kgo s TYR 97 Cb -0.03 -3.66 0.03 0.00 -0.11 0.00 0.00 41.96 38.19 2kgo s TYR 97 CO 0.80 -1.87 0.80 -1.71 -1.11 0.00 0.00 175.55 172.46 2kgo n ASN 98 N 1.17 0.48 -4.61 2.29 2.85 -1.26 -5.08 115.26 111.10 2kgo n ASN 98 Ca 0.01 -1.69 -0.45 0.00 -0.11 0.00 0.00 54.58 52.35 2kgo n ASN 98 Cb 0.42 -0.11 -0.04 0.00 1.24 0.00 0.00 39.78 41.29 2kgo n ASN 98 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2kgo n ARG 99 N -0.21 2.10 0.00 1.20 -4.01 -1.26 -4.69 116.66 109.79 2kgo n ARG 99 Ca 0.02 0.66 0.00 0.00 -1.04 0.00 0.00 57.85 57.49 2kgo n ARG 99 Cb 0.55 -3.00 0.00 0.00 -3.04 0.00 0.00 32.46 26.97 2kgo n ARG 99 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 2kgo n ARG 100 N 8.10 3.99 -1.59 2.89 0.63 -1.26 -4.94 116.66 124.48 2kgo n ARG 100 Ca 0.28 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.80 2kgo n ARG 100 Cb 0.39 -0.51 -0.01 0.00 0.45 0.00 0.00 32.46 32.77 2kgo n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kgo n GLY 101 N 0.23 4.39 2.61 5.14 0.00 -1.26 -4.79 105.19 111.52 2kgo n GLY 101 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 4.74 5.45 -3.86 1.61 7.64 -1.26 -4.87 113.62 123.07 2kgo n SER 102 Ca 0.63 -2.79 -0.30 0.00 1.01 0.00 0.00 58.87 57.43 2kgo n SER 102 Cb 0.31 -1.61 -0.16 0.00 -1.01 0.00 0.00 64.21 61.74 2kgo n SER 102 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kgo s LYS 103 N 2.62 1.22 -0.58 1.43 1.02 -1.26 -5.09 119.74 119.11 2kgo s LYS 103 Ca 0.53 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 2kgo s LYS 103 Cb 0.15 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2kgo s LYS 103 CO -0.08 -0.68 1.65 0.34 -0.92 0.00 0.00 175.35 175.66 2kgo s ASP 104 N 1.52 5.71 -0.12 2.83 2.15 -1.26 -4.77 116.67 122.72 2kgo s ASP 104 Ca -0.01 0.33 0.18 0.00 0.43 0.00 0.00 52.55 53.47 2kgo s ASP 104 Cb -0.18 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.17 2kgo s ASP 104 CO -0.09 -2.04 1.14 -0.24 -0.17 0.00 0.00 175.17 173.77 2kgo n SER 105 N 11.11 2.27 -4.27 -0.34 2.88 -1.26 -5.03 113.62 118.98 2kgo n SER 105 Ca 0.16 -3.02 -0.32 0.00 -1.33 0.00 0.00 58.87 54.36 2kgo n SER 105 Cb 0.50 -0.41 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 2kgo n SER 105 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kgo s GLN 106 N -2.73 3.16 -0.69 -1.46 -1.52 -1.26 -5.07 119.66 110.08 2kgo s GLN 106 Ca 0.30 -0.81 -0.26 0.00 -1.95 0.00 0.00 55.36 52.64 2kgo s GLN 106 Cb 0.26 -2.42 -0.05 0.00 -0.22 0.00 0.00 33.01 30.58 2kgo s GLN 106 CO 0.03 0.18 2.01 -0.48 -0.25 0.00 0.00 175.29 176.78 2kgo s LEU 107 N 0.38 3.23 0.00 2.90 2.34 -1.26 -5.27 118.68 121.00 2kgo s LEU 107 Ca -0.16 0.13 0.00 0.00 0.06 0.00 0.00 54.13 54.16 2kgo s LEU 107 Cb -0.17 -2.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.92 2kgo s LEU 107 CO 0.07 -2.69 0.30 0.54 -1.06 0.00 0.00 176.35 173.51