#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 2.26 -0.07 3.04 0.00 -1.26 -4.90 121.76 120.83 2kgo s ALA 22 Ca 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 51.96 49.88 2kgo s ALA 22 Cb 0.00 -4.58 0.03 0.00 0.00 0.00 0.00 23.12 18.56 2kgo s ALA 22 CO 0.00 -4.29 0.00 -1.54 0.00 0.00 0.00 175.76 169.93 2kgo s SER 23 N 6.24 1.48 -0.29 0.00 1.04 -1.26 -4.84 113.70 116.06 2kgo s SER 23 Ca 0.60 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 2kgo s SER 23 Cb -0.02 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 2kgo s SER 23 CO 0.00 -0.18 0.25 0.61 0.98 0.00 0.00 173.24 174.90 2kgo n GLY 24 N 5.03 0.32 0.43 7.32 0.00 -1.26 -5.02 105.19 112.00 2kgo n GLY 24 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.96 0.00 0.00 1.61 4.27 -1.26 -5.05 117.44 115.04 2kgo n TRP 25 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 2kgo n TRP 25 Cb 0.53 0.11 0.00 0.00 -1.36 0.00 0.00 31.31 30.59 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 -1.74 0.62 -0.64 -1.67 0.00 -1.26 -4.94 120.51 110.89 2kgo n ALA 26 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2kgo n ALA 26 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.55 5.74 -4.33 0.00 3.02 -1.26 -4.55 115.26 112.33 2kgo n ASN 27 Ca 0.00 -2.84 -0.17 0.00 -0.03 0.00 0.00 54.58 51.54 2kgo n ASN 27 Cb 0.00 -1.01 -0.10 0.00 -0.61 0.00 0.00 39.78 38.06 2kgo n ASN 27 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kgo s ASP 28 N 0.60 1.93 0.24 6.41 1.11 -1.26 -5.03 116.67 120.67 2kgo s ASP 28 Ca 0.22 -1.19 -0.04 0.00 0.18 0.00 0.00 52.55 51.72 2kgo s ASP 28 Cb 0.18 -0.01 0.25 0.00 1.07 0.00 0.00 42.92 44.40 2kgo s ASP 28 CO 0.00 -0.47 1.73 0.44 1.18 0.00 0.00 175.17 178.06 2kgo h ASP 29 N 2.49 0.87 -0.07 0.27 5.19 -2.00 -2.01 116.42 121.17 2kgo h ASP 29 Ca -0.38 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 2kgo h ASP 29 Cb 1.22 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2kgo h ASP 29 CO 0.65 0.91 0.00 0.00 -3.12 0.00 0.00 179.24 177.68 2kgo n ALA 30 N -2.47 2.61 0.00 3.45 0.00 -1.26 -3.83 120.51 119.00 2kgo n ALA 30 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kgo n ALA 30 Cb 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.02 0.00 0.31 0.00 0.31 -1.08 -4.86 118.33 113.00 2kgo n VAL 31 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.49 2kgo n VAL 31 Cb 0.28 -0.83 0.61 0.00 -0.91 0.00 0.00 33.84 32.99 2kgo n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kgo h ASN 32 N 0.00 0.00 -0.36 4.52 -1.07 -1.47 -2.35 115.58 114.85 2kgo h ASN 32 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 2kgo h ASN 32 Cb 0.39 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.64 2kgo h ASN 32 CO 0.00 0.00 -0.43 -0.33 0.07 0.00 0.00 177.43 176.74 2kgo h GLU 33 N 0.00 0.93 -0.02 4.14 5.08 -1.85 0.67 114.58 123.53 2kgo h GLU 33 Ca 0.00 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.70 2kgo h GLU 33 Cb 0.26 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2kgo h GLU 33 CO 0.00 1.17 -0.66 0.37 -1.00 0.00 0.00 179.01 178.88 2kgo h GLN 34 N 0.75 0.10 -0.02 2.33 4.15 -1.78 -3.00 115.11 117.63 2kgo h GLN 34 Ca 0.05 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.20 2kgo h GLN 34 Cb 1.03 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2kgo h GLN 34 CO 0.10 0.72 -0.83 0.82 -1.93 0.00 0.00 178.83 177.72 2kgo h ILE 35 N 0.07 1.44 -1.34 2.39 2.04 -1.46 -3.40 117.51 117.24 2kgo h ILE 35 Ca -0.01 -2.40 -0.62 0.00 1.00 0.00 0.00 64.86 62.83 2kgo h ILE 35 Cb 1.18 2.32 -0.11 0.00 -0.74 0.00 0.00 36.82 39.47 2kgo h ILE 35 CO 0.09 0.71 1.42 0.21 0.00 0.00 0.00 178.15 180.58 2kgo s ASN 36 N -6.97 6.55 0.00 1.72 2.47 0.22 -4.84 114.94 114.09 2kgo s ASN 36 Ca -0.04 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.61 2kgo s ASN 36 Cb 0.10 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2kgo s ASN 36 CO 0.84 -1.40 0.90 -1.20 -3.72 0.00 0.00 177.10 172.51 2kgo n SER 37 N 8.41 0.16 0.09 -4.21 7.64 -1.26 -3.21 113.62 121.24 2kgo n SER 37 Ca 0.32 -1.96 -0.15 0.00 1.01 0.00 0.00 58.87 58.10 2kgo n SER 37 Cb 0.50 -0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kgo h THR 38 N 0.00 1.46 -0.87 0.44 2.02 -1.91 -3.37 112.91 110.68 2kgo h THR 38 Ca 0.00 -3.06 0.01 0.00 0.77 0.00 0.00 66.41 64.13 2kgo h THR 38 Cb 0.08 2.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2kgo h THR 38 CO 0.00 0.88 0.58 0.40 0.37 0.00 0.00 175.52 177.75 2kgo h ILE 39 N 0.06 1.22 -0.30 3.11 1.08 -1.89 -2.89 117.51 117.91 2kgo h ILE 39 Ca -0.14 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 2kgo h ILE 39 Cb 1.96 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 2kgo h ILE 39 CO 0.19 0.22 0.09 1.05 -0.69 0.00 0.00 178.15 179.00 2kgo h GLU 40 N 1.18 0.43 -0.12 2.37 4.11 -1.80 -2.78 114.58 117.97 2kgo h GLU 40 Ca 0.32 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 2kgo h GLU 40 Cb -0.14 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2kgo h GLU 40 CO -0.07 0.39 0.01 0.22 0.07 0.00 0.00 179.01 179.63 2kgo h ASP 41 N 0.43 0.19 -0.75 3.06 3.58 -1.71 0.20 116.42 121.42 2kgo h ASP 41 Ca 0.10 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 2kgo h ASP 41 Cb 0.15 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2kgo h ASP 41 CO -0.01 0.42 0.44 0.00 -2.88 0.00 0.00 179.24 177.22 2kgo h ALA 42 N 0.77 0.96 -0.03 -0.78 0.00 -1.58 -1.45 119.26 117.15 2kgo h ALA 42 Ca 0.03 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2kgo h ALA 42 Cb 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kgo h ALA 42 CO 0.00 0.43 -0.84 0.82 0.00 0.00 0.00 179.25 179.67 2kgo h ILE 43 N 1.03 1.40 0.03 0.00 1.08 -1.47 -3.14 117.51 116.44 2kgo h ILE 43 Ca 0.27 -2.33 -0.00 0.00 -0.39 0.00 0.00 64.86 62.41 2kgo h ILE 43 Cb -0.02 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2kgo h ILE 43 CO -0.05 0.70 -0.01 0.00 -0.69 0.00 0.00 178.15 178.09 2kgo h ALA 44 N 0.86 -0.04 0.00 1.87 0.00 -0.71 -1.73 119.26 119.51 2kgo h ALA 44 Ca -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2kgo h ALA 44 Cb 1.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kgo h ALA 44 CO 0.14 -0.24 -0.10 0.07 0.00 0.00 0.00 179.25 179.12 2kgo h ARG 45 N -0.60 0.00 0.00 0.00 0.11 -1.39 -0.74 114.38 111.76 2kgo h ARG 45 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kgo h ARG 45 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2kgo h ARG 45 CO 0.01 0.10 0.00 0.00 0.10 0.00 0.00 179.97 180.17 2kgo n ALA 46 N -2.42 0.00 0.50 0.08 0.00 -1.19 -4.77 120.51 112.72 2kgo n ALA 46 Ca -0.03 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2kgo n ALA 46 Cb 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.86 0.56 -0.97 0.00 -4.01 -0.66 -5.05 116.66 105.67 2kgo n ARG 47 Ca 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 2kgo n ARG 47 Cb 0.00 -1.45 0.00 0.00 -3.04 0.00 0.00 32.46 27.97 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 1.41 -1.89 0.03 2.89 0.00 -0.28 -5.03 105.19 102.33 2kgo n GLY 48 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 0.06 0.21 -1.84 1.61 4.07 -1.26 -4.92 120.64 118.57 2kgo n GLU 49 Ca 0.00 0.11 -0.42 0.00 -0.06 0.00 0.00 57.16 56.79 2kgo n GLU 49 Cb 0.00 -0.90 -0.03 0.00 -0.06 0.00 0.00 31.44 30.45 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 -1.73 2.90 0.95 6.31 -1.09 -1.26 -5.01 121.20 122.27 2kgo s ILE 50 Ca -0.11 0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.47 2kgo s ILE 50 Cb 0.02 -3.20 0.17 0.00 -1.58 0.00 0.00 42.46 37.87 2kgo s ILE 50 CO 0.16 -0.01 1.23 -2.16 -1.23 0.00 0.00 174.94 172.94 2kgo s PRO 51 N 2.96 0.81 0.10 2.79 0.04 -1.26 -4.97 135.00 135.47 2kgo s PRO 51 Ca 0.78 -0.12 0.24 0.00 0.04 0.00 0.00 61.00 61.94 2kgo s PRO 51 Cb -0.42 -1.84 0.94 0.00 0.04 0.00 0.00 34.50 33.23 2kgo s PRO 51 CO 0.34 -2.34 1.75 0.54 0.04 0.00 0.00 177.00 177.33 2kgo n ARG 52 N -3.78 0.10 -3.56 4.56 1.74 -1.26 -4.71 116.66 109.75 2kgo n ARG 52 Ca 0.12 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2kgo n ARG 52 Cb 0.60 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2kgo n ARG 52 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2kgo s GLY 53 N -3.25 -0.01 0.42 -0.13 0.00 -1.26 -5.02 107.32 98.07 2kgo s GLY 53 Ca 0.10 3.18 0.17 0.00 0.00 0.00 0.00 44.72 48.17 2kgo s GLY 53 CO 0.47 2.83 1.89 0.83 0.00 0.00 0.00 173.10 179.12 2kgo h GLU 54 N 6.48 0.00 -6.11 2.90 5.08 -1.95 -3.43 114.58 117.54 2kgo h GLU 54 Ca -0.24 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.53 2kgo h GLU 54 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kgo h GLU 54 CO 0.16 0.29 1.36 0.43 -1.00 0.00 0.00 179.01 180.24 2kgo n SER 55 N -3.93 3.29 -4.57 1.42 7.64 -1.26 -4.63 113.62 111.57 2kgo n SER 55 Ca -0.02 0.52 -0.29 0.00 1.01 0.00 0.00 58.87 60.09 2kgo n SER 55 Cb 0.36 -1.47 0.14 0.00 -1.01 0.00 0.00 64.21 62.23 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 6.59 2.38 0.00 -3.43 0.05 -1.13 -4.89 118.68 118.25 2kgo s LEU 56 Ca 0.98 0.64 0.10 0.00 0.05 0.00 0.00 54.13 55.90 2kgo s LEU 56 Cb -0.51 -2.91 0.22 0.00 -2.05 0.00 0.00 46.19 40.93 2kgo s LEU 56 CO 0.42 -2.42 1.10 -0.90 -0.55 0.00 0.00 176.35 174.01 2kgo n ASP 57 N -3.63 2.53 -3.63 1.48 5.75 -1.26 -4.78 116.55 113.02 2kgo n ASP 57 Ca 0.10 -1.81 -0.28 0.00 -0.01 0.00 0.00 54.79 52.79 2kgo n ASP 57 Cb 0.60 -0.14 -0.16 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.95 0.29 -0.13 0.11 2.02 -1.26 -2.23 118.70 116.55 2kgo s GLU 58 Ca 0.18 -0.39 -0.38 0.00 0.02 0.00 0.00 54.97 54.41 2kgo s GLU 58 Cb 0.10 -1.70 -0.15 0.00 0.10 0.00 0.00 34.13 32.49 2kgo s GLU 58 CO 0.14 -0.81 1.70 0.00 0.02 0.00 0.00 175.26 176.31 2kgo n GLU 60 N 5.07 0.16 -0.07 0.00 0.28 -0.66 -0.42 120.64 124.99 2kgo n GLU 60 Ca 0.23 0.57 -0.04 0.00 -0.16 0.00 0.00 57.16 57.75 2kgo n GLU 60 Cb 0.20 -1.92 -0.02 0.00 1.43 0.00 0.00 31.44 31.12 2kgo n GLU 60 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2kgo h GLU 61 N 0.00 0.00 0.00 3.44 4.39 -1.90 -3.44 114.58 117.07 2kgo h GLU 61 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kgo h GLU 61 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2kgo h GLU 61 CO 0.00 0.07 -0.15 0.00 -1.16 0.00 0.00 179.01 177.77 2kgo n GLY 63 N -0.46 1.31 3.77 0.00 0.00 0.43 -4.95 105.19 105.29 2kgo n GLY 63 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 3.12 -0.35 4.61 0.00 -1.26 -4.39 121.76 121.36 2kgo s ALA 64 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 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 -0.76 2.24 -2.14 0.00 0.00 0.00 175.76 175.10 2kgo s PRO 65 N -2.42 2.71 -0.02 0.00 0.02 -1.26 -1.72 135.00 132.31 2kgo s PRO 65 Ca 0.60 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 2kgo s PRO 65 Cb -0.34 -4.44 -0.08 0.00 0.02 0.00 0.00 34.50 29.66 2kgo s PRO 65 CO 0.43 -2.58 1.96 0.42 -0.33 0.00 0.00 177.00 176.90 2kgo s ILE 66 N 9.77 3.10 0.42 2.83 -1.09 -0.95 -4.94 121.20 130.34 2kgo s ILE 66 Ca 0.96 0.12 -0.25 0.00 -2.23 0.00 0.00 60.65 59.25 2kgo s ILE 66 Cb -0.25 -3.09 -0.08 0.00 -1.58 0.00 0.00 42.46 37.47 2kgo s ILE 66 CO 0.31 -0.02 1.20 -2.16 -1.23 0.00 0.00 174.94 173.04 2kgo s PRO 67 N 4.72 3.94 0.64 2.79 0.04 -1.26 -4.85 135.00 141.01 2kgo s PRO 67 Ca 0.88 1.90 0.39 0.00 0.04 0.00 0.00 61.00 64.22 2kgo s PRO 67 Cb -0.40 -2.62 2.19 0.00 0.04 0.00 0.00 34.50 33.71 2kgo s PRO 67 CO 0.39 -0.44 2.32 -0.56 0.04 0.00 0.00 177.00 178.75 2kgo h GLN 68 N 2.48 0.00 -0.47 4.56 -0.00 -1.97 -1.53 115.11 118.17 2kgo h GLN 68 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 2kgo h GLN 68 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.70 2kgo h GLN 68 CO 0.62 0.00 0.23 0.00 -0.00 0.00 0.00 178.83 179.68 2kgo h ALA 69 N 2.00 0.60 -0.08 0.06 0.00 -1.99 -1.17 119.26 118.67 2kgo h ALA 69 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2kgo h ALA 69 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kgo h ALA 69 CO 0.00 0.16 -0.50 0.00 0.00 0.00 0.00 179.25 178.92 2kgo h ARG 70 N 0.61 0.21 -0.19 0.00 2.47 -1.67 -1.68 114.38 114.14 2kgo h ARG 70 Ca 0.16 -0.12 -0.17 0.00 -1.26 0.00 0.00 59.98 58.60 2kgo h ARG 70 Cb 0.11 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2kgo h ARG 70 CO -0.02 0.66 -0.57 0.00 0.56 0.00 0.00 179.97 180.60 2kgo h ARG 71 N 0.17 0.59 0.10 0.04 3.08 -1.23 -0.97 114.38 116.16 2kgo h ARG 71 Ca 0.01 -0.38 -0.33 0.00 0.07 0.00 0.00 59.98 59.35 2kgo h ARG 71 Cb 0.94 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2kgo h ARG 71 CO 0.08 1.00 -1.73 1.05 -1.07 0.00 0.00 179.97 179.29 2kgo h GLU 72 N 0.45 0.21 0.04 0.04 -0.00 -1.23 -3.39 114.58 110.71 2kgo h GLU 72 Ca 0.00 -0.36 -0.00 0.00 -0.00 0.00 0.00 59.36 59.00 2kgo h GLU 72 Cb 1.12 0.13 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2kgo h GLU 72 CO 0.11 1.03 -0.02 0.00 -0.00 0.00 0.00 179.01 180.13 2kgo h ALA 73 N 0.44 -0.05 -2.58 1.06 0.00 -1.39 -3.42 119.26 113.31 2kgo h ALA 73 Ca -0.32 -0.26 -0.72 0.00 0.00 0.00 0.00 54.91 53.61 2kgo h ALA 73 Cb 2.03 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 19.59 2kgo h ALA 73 CO 0.12 -0.26 -0.42 0.42 0.00 0.00 0.00 179.25 179.11 2kgo s ILE 74 N -3.98 4.77 -0.33 0.00 1.01 -0.37 -5.05 121.20 117.25 2kgo s ILE 74 Ca -0.16 -1.10 -0.28 0.00 0.00 0.00 0.00 60.65 59.11 2kgo s ILE 74 Cb 0.01 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 2kgo s ILE 74 CO 0.64 -0.46 1.75 -2.16 0.00 0.00 0.00 174.94 174.70 2kgo s PRO 75 N 1.56 3.40 0.00 2.79 0.04 -1.26 -2.98 135.00 138.55 2kgo s PRO 75 Ca 0.03 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2kgo s PRO 75 Cb -0.22 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2kgo s PRO 75 CO 0.05 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2kgo n GLY 76 N 5.34 0.60 3.76 0.56 0.00 -1.26 -4.88 105.19 109.32 2kgo n GLY 76 Ca 0.22 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.67 3.24 -0.01 1.61 0.11 -1.16 -4.74 120.40 116.77 2kgo s VAL 77 Ca 0.00 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.28 2kgo s VAL 77 Cb 0.00 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.06 2kgo s VAL 77 CO 0.00 0.24 0.08 0.54 -3.33 0.00 0.00 175.10 172.63 2kgo n ARG 78 N 0.79 0.68 -5.07 1.54 3.00 -1.26 -2.82 116.66 113.52 2kgo n ARG 78 Ca 0.01 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.85 57.49 2kgo n ARG 78 Cb 0.45 -1.11 -0.15 0.00 0.00 0.00 0.00 32.46 31.65 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kgo s LEU 79 N -3.48 2.39 0.61 0.55 1.43 -1.26 -1.65 118.68 117.27 2kgo s LEU 79 Ca -0.02 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 2kgo s LEU 79 Cb 0.03 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2kgo s LEU 79 CO 0.18 0.27 1.13 0.00 0.23 0.00 0.00 176.35 178.15 2kgo h ILE 81 N 0.54 0.44 -0.05 0.00 2.10 -1.96 0.20 117.51 118.77 2kgo h ILE 81 Ca -0.48 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.43 2kgo h ILE 81 Cb 1.26 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.62 2kgo h ILE 81 CO 0.55 0.00 -0.09 0.45 -1.08 0.00 0.00 178.15 177.98 2kgo h HIS 82 N 0.00 0.19 0.00 2.19 3.86 -2.01 -1.70 115.15 117.68 2kgo h HIS 82 Ca 0.24 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2kgo h HIS 82 Cb 1.18 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2kgo h HIS 82 CO 0.00 0.66 -0.00 0.00 0.86 0.00 0.00 177.93 179.45 2kgo h GLN 84 N 0.00 0.23 -0.53 0.00 -0.00 -0.68 -3.17 115.11 110.96 2kgo h GLN 84 Ca 0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 58.65 58.33 2kgo h GLN 84 Cb 0.93 0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.48 2kgo h GLN 84 CO 0.00 1.07 0.28 -0.56 0.00 0.00 0.00 178.83 179.63 2kgo h GLN 85 N -0.47 0.73 -0.33 1.69 3.07 -1.43 0.12 115.11 118.48 2kgo h GLN 85 Ca -0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 58.65 58.48 2kgo h GLN 85 Cb 1.27 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 2kgo h GLN 85 CO 0.09 0.55 -0.24 1.05 0.09 0.00 0.00 178.83 180.36 2kgo h GLU 86 N 0.74 0.75 0.00 0.06 4.11 -1.69 -3.13 114.58 115.42 2kgo h GLU 86 Ca 0.19 -0.36 -0.09 0.00 0.07 0.00 0.00 59.36 59.17 2kgo h GLU 86 Cb 0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2kgo h GLU 86 CO -0.03 0.98 -0.42 0.87 0.07 0.00 0.00 179.01 180.48 2kgo h LYS 87 N 0.52 0.00 -0.05 1.06 1.79 -1.36 -2.94 116.57 115.59 2kgo h LYS 87 Ca 0.06 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 2kgo h LYS 87 Cb 0.80 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2kgo h LYS 87 CO 0.06 0.42 -0.31 0.22 -1.08 0.00 0.00 179.45 178.76 2kgo h ASP 88 N 0.00 0.09 -0.13 0.86 3.58 -0.74 -1.37 116.42 118.71 2kgo h ASP 88 Ca -0.00 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 2kgo h ASP 88 Cb 0.96 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2kgo h ASP 88 CO 0.05 0.40 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.49 2kgo h LEU 89 N 0.08 0.59 -0.11 2.28 3.38 -1.46 -3.10 115.31 116.96 2kgo h LEU 89 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kgo h LEU 89 Cb 0.60 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kgo h LEU 89 CO 0.04 0.83 -0.17 0.00 0.09 0.00 0.00 178.44 179.24 2kgo n GLN 90 N -4.11 0.34 -2.65 1.13 1.13 -0.60 -4.73 117.38 107.90 2kgo n GLN 90 Ca -0.00 -0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 2kgo n GLN 90 Cb 0.42 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 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 -2.74 4.59 0.25 -1.09 -0.14 -0.72 -4.97 119.74 114.92 2kgo s LYS 91 Ca 0.21 1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 56.30 2kgo s LYS 91 Cb 0.19 -3.40 0.43 0.00 -1.68 0.00 0.00 37.83 33.37 2kgo s LYS 91 CO 0.54 0.01 1.82 -1.35 -0.76 0.00 0.00 175.35 175.62 2kgo h PRO 92 N 6.24 0.85 -0.63 -1.68 0.11 -1.87 -3.47 132.00 131.54 2kgo h PRO 92 Ca -0.42 -0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 2kgo h PRO 92 Cb 1.22 -0.19 -0.11 0.00 0.11 0.00 0.00 31.00 32.03 2kgo h PRO 92 CO 0.75 0.56 -0.24 0.00 -0.21 0.00 0.00 178.00 178.85 2kgo n ALA 93 N -2.37 -0.20 -3.10 -0.75 0.00 -1.26 -4.98 120.51 107.85 2kgo n ALA 93 Ca 0.15 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 2kgo n ALA 93 Cb 0.28 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.47 0.06 -0.11 0.00 1.13 -1.26 -5.08 117.35 109.62 2kgo s TYR 94 Ca 0.00 -0.41 0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2kgo s TYR 94 Cb 0.00 0.24 -0.16 0.00 -1.10 0.00 0.00 41.96 40.94 2kgo s TYR 94 CO 0.00 -0.85 0.08 0.25 -2.51 0.00 0.00 175.55 172.52 2kgo n THR 95 N -0.29 0.73 0.00 -3.49 -2.24 -1.26 -5.02 114.28 102.71 2kgo n THR 95 Ca -0.09 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2kgo n THR 95 Cb 0.63 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2kgo n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kgo n GLY 96 N 2.18 0.91 3.06 3.38 0.00 -1.26 -5.12 105.19 108.34 2kgo n GLY 96 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.29 0.00 0.35 1.61 1.13 -1.26 -5.06 117.35 112.84 2kgo s TYR 97 Ca 0.00 -0.01 0.05 0.00 -1.41 0.00 0.00 57.07 55.70 2kgo s TYR 97 Cb 0.00 -0.03 0.72 0.00 -1.10 0.00 0.00 41.96 41.54 2kgo s TYR 97 CO 0.00 -0.20 1.95 -2.95 -2.51 0.00 0.00 175.55 171.84 2kgo h ASN 98 N 4.88 0.70 -3.88 -0.18 -1.07 -2.04 -3.42 115.58 110.56 2kgo h ASN 98 Ca -0.29 0.01 -0.44 0.00 0.07 0.00 0.00 56.30 55.65 2kgo h ASN 98 Cb 1.20 -0.14 0.17 0.00 -2.07 0.00 0.00 38.32 37.48 2kgo h ASN 98 CO 0.41 0.45 0.37 0.00 0.07 0.00 0.00 177.43 178.73 2kgo s ARG 99 N -5.70 0.18 0.22 4.14 1.70 -1.26 -5.09 118.95 113.14 2kgo s ARG 99 Ca -0.10 -0.39 0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2kgo s ARG 99 Cb 0.19 -1.79 0.03 0.00 -0.57 0.00 0.00 34.95 32.81 2kgo s ARG 99 CO 0.78 -2.73 0.24 0.54 -1.08 0.00 0.00 175.30 173.05 2kgo n ARG 100 N -3.99 1.01 -1.52 3.89 5.12 -1.26 -4.89 116.66 115.01 2kgo n ARG 100 Ca 0.15 -1.30 -0.35 0.00 -1.93 0.00 0.00 57.85 54.42 2kgo n ARG 100 Cb 0.59 0.02 -0.11 0.00 -1.16 0.00 0.00 32.46 31.80 2kgo n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kgo n GLY 101 N 2.29 -0.25 3.37 -0.13 0.00 -1.26 -4.89 105.19 104.32 2kgo n GLY 101 Ca 0.03 0.81 -0.46 0.00 0.00 0.00 0.00 46.02 46.40 2kgo n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kgo s SER 102 N 9.26 6.83 0.28 1.61 0.01 -1.26 -4.85 113.70 125.58 2kgo s SER 102 Ca 1.20 -2.69 0.26 0.00 1.31 0.00 0.00 55.95 56.03 2kgo s SER 102 Cb -0.78 -2.26 0.89 0.00 0.21 0.00 0.00 66.02 64.08 2kgo s SER 102 CO 0.39 -0.65 1.76 0.11 0.41 0.00 0.00 173.24 175.26 2kgo h LYS 103 N 7.83 0.00 0.00 12.44 6.56 -2.05 -3.46 116.57 137.90 2kgo h LYS 103 Ca 0.14 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.46 2kgo h LYS 103 Cb 1.00 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.60 2kgo h LYS 103 CO 0.90 0.00 -0.12 -0.40 -2.06 0.00 0.00 179.45 177.76 2kgo n ASP 104 N -2.41 -1.43 -0.08 0.86 5.75 -1.26 -5.07 116.55 112.92 2kgo n ASP 104 Ca 0.04 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 2kgo n ASP 104 Cb 0.35 2.64 0.01 0.00 -1.03 0.00 0.00 41.12 43.08 2kgo n ASP 104 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kgo n SER 105 N -1.61 0.43 -4.81 -1.12 2.88 -1.26 -5.11 113.62 103.02 2kgo n SER 105 Ca 0.00 -1.40 -0.35 0.00 -1.33 0.00 0.00 58.87 55.78 2kgo n SER 105 Cb 0.59 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.29 4.33 0.00 -1.46 1.11 -1.26 -4.98 119.66 117.11 2kgo s GLN 106 Ca 0.01 1.03 0.00 0.00 0.01 0.00 0.00 55.36 56.41 2kgo s GLN 106 Cb 0.01 -2.69 0.00 0.00 -1.01 0.00 0.00 33.01 29.32 2kgo s GLN 106 CO 0.00 0.26 0.68 1.47 0.01 0.00 0.00 175.29 177.71 2kgo n LEU 107 N 0.31 0.80 0.00 2.90 -0.00 -1.26 -5.22 117.00 114.53 2kgo n LEU 107 Ca 0.01 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2kgo n LEU 107 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2kgo n LEU 107 CO 0.42 0.20 0.23 0.54 -0.00 0.00 0.00 177.39 178.78