#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 5.52 -3.46 3.17 0.00 -1.26 -4.72 120.51 119.76 2kgo n ALA 22 Ca 0.00 -4.02 0.01 0.00 0.00 0.00 0.00 53.44 49.43 2kgo n ALA 22 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 19.45 16.05 2kgo n ALA 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kgo s SER 23 N 2.42 -0.66 0.00 0.00 1.04 -1.26 -4.95 113.70 110.29 2kgo s SER 23 Ca 0.45 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.80 2kgo s SER 23 Cb 0.13 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.96 2kgo s SER 23 CO -0.06 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2kgo n GLY 24 N 4.94 3.10 0.32 7.32 0.00 -1.25 -4.91 105.19 114.71 2kgo n GLY 24 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 0.75 0.00 1.61 5.08 -1.93 -3.36 115.95 118.11 2kgo h TRP 25 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.96 2kgo h TRP 25 Cb 0.00 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 25.92 2kgo h TRP 25 CO 0.00 0.54 0.00 0.00 -1.28 0.00 0.00 178.44 177.70 2kgo n ALA 26 N -2.45 0.98 -3.45 0.11 0.00 -1.26 -5.02 120.51 109.41 2kgo n ALA 26 Ca 0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2kgo n ALA 26 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 2kgo n ALA 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kgo s ASN 27 N 0.00 6.84 0.55 0.00 -0.87 -1.26 -5.05 114.94 115.15 2kgo s ASN 27 Ca 0.00 -3.63 -0.17 0.00 -1.57 0.00 0.00 52.86 47.49 2kgo s ASN 27 Cb 0.00 -2.10 -0.06 0.00 -0.02 0.00 0.00 41.25 39.07 2kgo s ASN 27 CO 0.00 -0.25 1.03 -1.81 -2.57 0.00 0.00 177.10 173.50 2kgo s ASP 28 N 0.80 6.15 0.00 -1.22 1.11 -1.26 -3.75 116.67 118.50 2kgo s ASP 28 Ca 0.29 1.75 0.10 0.00 0.18 0.00 0.00 52.55 54.87 2kgo s ASP 28 Cb -0.09 -2.53 0.37 0.00 1.07 0.00 0.00 42.92 41.74 2kgo s ASP 28 CO -0.10 -0.91 1.27 0.47 1.18 0.00 0.00 175.17 177.08 2kgo n ASP 29 N -1.72 1.10 -0.02 0.27 8.00 -1.26 -3.54 116.55 119.38 2kgo n ASP 29 Ca 0.08 -1.90 -0.02 0.00 0.71 0.00 0.00 54.79 53.67 2kgo n ASP 29 Cb 0.53 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2kgo n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kgo n ALA 30 N 0.06 1.92 0.12 2.24 0.00 -1.26 -4.66 120.51 118.93 2kgo n ALA 30 Ca 0.09 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 2kgo n ALA 30 Cb 0.19 0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 2kgo n ALA 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kgo h VAL 31 N 0.00 1.44 0.00 0.00 3.04 -1.97 -3.22 116.25 115.54 2kgo h VAL 31 Ca -0.10 -2.97 -0.08 0.00 -1.01 0.00 0.00 66.70 62.55 2kgo h VAL 31 Cb 1.20 2.97 -0.01 0.00 -2.01 0.00 0.00 31.29 33.44 2kgo h VAL 31 CO 0.01 0.87 -0.39 -0.55 -1.01 0.00 0.00 177.57 176.50 2kgo h ASN 32 N 0.09 0.00 -0.81 3.17 -1.07 -1.86 -2.58 115.58 112.52 2kgo h ASN 32 Ca -0.17 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.19 2kgo h ASN 32 Cb 2.03 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 38.24 2kgo h ASN 32 CO 0.22 0.39 0.45 -0.33 0.07 0.00 0.00 177.43 178.23 2kgo h GLU 33 N 0.00 1.14 -0.12 4.14 4.39 -1.82 -2.07 114.58 120.24 2kgo h GLU 33 Ca -0.00 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 2kgo h GLU 33 Cb 0.82 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2kgo h GLU 33 CO 0.05 0.83 -0.47 1.96 -1.16 0.00 0.00 179.01 180.22 2kgo h GLN 34 N 1.15 0.29 0.00 2.33 1.08 -1.51 -2.56 115.11 115.89 2kgo h GLN 34 Ca 0.29 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 2kgo h GLN 34 Cb 0.02 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2kgo h GLN 34 CO -0.05 0.70 -0.44 0.82 -0.95 0.00 0.00 178.83 178.91 2kgo h ILE 35 N 0.24 0.98 -4.07 2.54 2.04 -1.38 -3.46 117.51 114.39 2kgo h ILE 35 Ca 0.01 -1.75 -0.52 0.00 1.00 0.00 0.00 64.86 63.61 2kgo h ILE 35 Cb 0.92 2.05 0.09 0.00 -0.74 0.00 0.00 36.82 39.14 2kgo h ILE 35 CO 0.08 0.43 0.47 0.21 0.00 0.00 0.00 178.15 179.34 2kgo s ASN 36 N -6.50 5.55 0.44 1.72 3.84 -0.80 -4.96 114.94 114.23 2kgo s ASN 36 Ca 0.00 2.32 0.28 0.00 0.21 0.00 0.00 52.86 55.68 2kgo s ASN 36 Cb 0.11 -2.59 0.96 0.00 -0.55 0.00 0.00 41.25 39.17 2kgo s ASN 36 CO 0.71 -1.34 1.81 0.77 -2.79 0.00 0.00 177.10 176.26 2kgo h SER 37 N 1.22 0.00 0.43 -4.21 4.64 -1.88 -3.20 113.55 110.55 2kgo h SER 37 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2kgo h SER 37 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2kgo h SER 37 CO 0.57 0.00 0.00 0.74 -0.87 0.00 0.00 176.83 177.27 2kgo h THR 38 N 0.00 0.00 0.00 2.95 2.02 -1.92 -2.46 112.91 113.50 2kgo h THR 38 Ca 0.00 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2kgo h THR 38 Cb 0.65 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2kgo h THR 38 CO 0.00 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 176.13 2kgo h ILE 39 N 0.00 0.89 -0.64 3.11 1.08 -1.84 -2.45 117.51 117.66 2kgo h ILE 39 Ca 0.00 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2kgo h ILE 39 Cb 0.22 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 2kgo h ILE 39 CO 0.00 0.15 0.36 1.05 -0.69 0.00 0.00 178.15 179.02 2kgo h GLU 40 N 0.00 0.88 -0.22 2.37 4.11 -1.71 -1.34 114.58 118.67 2kgo h GLU 40 Ca -0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 59.36 59.15 2kgo h GLU 40 Cb 0.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2kgo h GLU 40 CO 0.02 0.64 -0.62 0.22 0.07 0.00 0.00 179.01 179.35 2kgo h ASP 41 N 0.89 0.92 -0.74 3.06 3.58 -1.64 -0.83 116.42 121.66 2kgo h ASP 41 Ca 0.23 -0.58 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2kgo h ASP 41 Cb 0.01 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 2kgo h ASP 41 CO -0.04 1.34 0.46 0.00 -2.88 0.00 0.00 179.24 178.12 2kgo h ALA 42 N 0.61 1.41 0.11 -0.78 0.00 -1.23 -0.56 119.26 118.82 2kgo h ALA 42 Ca -0.01 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 2kgo h ALA 42 Cb 1.24 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kgo h ALA 42 CO 0.13 0.52 -1.36 0.82 0.00 0.00 0.00 179.25 179.36 2kgo h ILE 43 N 1.03 1.35 -0.54 0.00 1.08 -1.28 -2.98 117.51 116.17 2kgo h ILE 43 Ca 0.27 -2.96 -0.08 0.00 -0.39 0.00 0.00 64.86 61.70 2kgo h ILE 43 Cb -0.06 2.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 2kgo h ILE 43 CO -0.05 0.86 0.03 0.00 -0.69 0.00 0.00 178.15 178.29 2kgo h ALA 44 N 0.57 1.02 0.00 1.87 0.00 -0.78 -1.39 119.26 120.56 2kgo h ALA 44 Ca -0.18 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2kgo h ALA 44 Cb 1.98 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2kgo h ALA 44 CO 0.18 0.61 -0.49 0.07 0.00 0.00 0.00 179.25 179.62 2kgo h ARG 45 N 0.85 0.00 -0.03 0.00 0.11 -1.23 -0.19 114.38 113.90 2kgo h ARG 45 Ca 0.16 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.10 2kgo h ARG 45 Cb 0.46 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.55 2kgo h ARG 45 CO 0.02 0.44 -0.53 0.00 0.10 0.00 0.00 179.97 180.00 2kgo h ALA 46 N 1.55 0.10 0.00 0.08 0.00 -1.32 -3.27 119.26 116.39 2kgo h ALA 46 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kgo h ALA 46 Cb 1.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kgo h ALA 46 CO 0.06 0.32 0.00 2.89 0.00 0.00 0.00 179.25 182.52 2kgo n ARG 47 N -4.26 0.00 -2.82 0.00 1.85 -0.55 -3.95 116.66 106.93 2kgo n ARG 47 Ca -0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.56 2kgo n ARG 47 Cb 0.63 -0.29 0.03 0.00 -1.05 0.00 0.00 32.46 31.77 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 0.00 -0.35 0.14 2.89 0.00 -0.11 -4.13 105.19 103.64 2kgo n GLY 48 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.01 0.38 -6.24 1.61 4.81 -1.78 -3.42 114.58 108.92 2kgo h GLU 49 Ca -0.45 -0.20 -0.55 0.00 -0.13 0.00 0.00 59.36 58.03 2kgo h GLU 49 Cb 1.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2kgo h GLU 49 CO 0.49 0.76 1.03 0.42 -0.73 0.00 0.00 179.01 180.98 2kgo s ILE 50 N -4.30 3.75 0.00 2.32 -1.09 -1.26 -4.99 121.20 115.62 2kgo s ILE 50 Ca -0.14 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2kgo s ILE 50 Cb 0.05 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2kgo s ILE 50 CO 0.76 -0.08 0.00 -0.81 -1.23 0.00 0.00 174.94 173.58 2kgo n PRO 51 N 6.89 1.81 -2.35 2.79 -0.04 -1.26 -4.92 135.00 137.92 2kgo n PRO 51 Ca 0.16 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 2kgo n PRO 51 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 2.72 0.00 0.54 1.74 -1.26 -4.82 116.66 115.58 2kgo n ARG 52 Ca 0.00 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 2kgo n ARG 52 Cb 0.00 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 27.91 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 5.38 -0.72 1.91 -0.13 0.00 -1.26 -5.08 105.19 105.29 2kgo n GLY 53 Ca 0.48 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 2kgo n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgo n GLU 54 N 0.00 0.96 -2.19 1.61 1.02 -1.26 -4.73 120.64 116.05 2kgo n GLU 54 Ca 0.00 -1.64 -0.43 0.00 -0.02 0.00 0.00 57.16 55.08 2kgo n GLU 54 Cb 0.00 0.05 -0.02 0.00 -0.02 0.00 0.00 31.44 31.44 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kgo s SER 55 N -2.68 6.07 0.95 1.62 1.04 -1.26 -4.36 113.70 115.07 2kgo s SER 55 Ca 0.22 0.94 -0.15 0.00 0.48 0.00 0.00 55.95 57.44 2kgo s SER 55 Cb -0.02 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.74 2kgo s SER 55 CO 0.14 -1.63 1.25 -1.48 0.98 0.00 0.00 173.24 172.50 2kgo s LEU 56 N 6.32 2.41 0.00 2.42 0.05 -1.16 -4.90 118.68 123.83 2kgo s LEU 56 Ca 0.68 0.48 0.11 0.00 0.05 0.00 0.00 54.13 55.46 2kgo s LEU 56 Cb -0.17 -2.62 0.14 0.00 -2.05 0.00 0.00 46.19 41.49 2kgo s LEU 56 CO 0.32 -2.66 0.94 -0.90 -0.55 0.00 0.00 176.35 173.50 2kgo n ASP 57 N -3.76 2.16 -3.60 1.48 5.75 -1.26 -4.79 116.55 112.52 2kgo n ASP 57 Ca 0.13 -1.58 -0.23 0.00 -0.01 0.00 0.00 54.79 53.09 2kgo n ASP 57 Cb 0.60 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.96 0.06 -0.17 0.11 2.02 -1.26 -2.13 118.70 116.37 2kgo s GLU 58 Ca 0.15 0.08 -0.38 0.00 0.02 0.00 0.00 54.97 54.84 2kgo s GLU 58 Cb 0.10 -1.42 -0.15 0.00 0.10 0.00 0.00 34.13 32.76 2kgo s GLU 58 CO 0.15 -0.59 1.70 0.00 0.02 0.00 0.00 175.26 176.54 2kgo n GLU 60 N 5.10 1.65 -0.06 0.00 0.28 -1.01 -0.07 120.64 126.53 2kgo n GLU 60 Ca 0.24 -0.80 -0.08 0.00 -0.16 0.00 0.00 57.16 56.36 2kgo n GLU 60 Cb 0.18 -1.30 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 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 0.14 1.03 -0.26 3.44 -0.58 -1.26 -4.85 120.64 118.29 2kgo n GLU 61 Ca 0.07 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2kgo n GLU 61 Cb 0.26 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.90 3.78 0.00 0.00 0.91 -4.96 105.19 105.82 2kgo n GLY 63 Ca 0.00 0.00 -0.37 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 -1.69 3.17 -0.22 4.61 0.00 -1.26 -4.50 121.76 121.87 2kgo s ALA 64 Ca 0.00 0.60 -0.38 0.00 0.00 0.00 0.00 51.96 52.18 2kgo s ALA 64 Cb 0.00 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 2kgo s ALA 64 CO 0.00 0.01 1.80 -2.30 0.00 0.00 0.00 175.76 175.28 2kgo n PRO 65 N 0.30 1.53 -2.51 0.00 -0.02 -1.26 -1.66 135.00 131.37 2kgo n PRO 65 Ca 0.03 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 2kgo n PRO 65 Cb 0.50 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 3.81 4.29 0.51 4.25 -1.09 -0.90 -4.60 121.20 127.46 2kgo s ILE 66 Ca 0.97 1.47 -0.21 0.00 -2.23 0.00 0.00 60.65 60.65 2kgo s ILE 66 Cb -0.93 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 35.61 2kgo s ILE 66 CO 0.61 -0.48 1.11 -2.16 -1.23 0.00 0.00 174.94 172.79 2kgo s PRO 67 N 3.94 3.58 0.58 2.79 0.04 -1.26 -4.85 135.00 139.83 2kgo s PRO 67 Ca 0.52 1.58 0.31 0.00 0.04 0.00 0.00 61.00 63.45 2kgo s PRO 67 Cb -0.15 -2.13 1.81 0.00 0.04 0.00 0.00 34.50 34.07 2kgo s PRO 67 CO 0.20 -0.65 2.23 -0.56 0.04 0.00 0.00 177.00 178.25 2kgo h GLN 68 N 1.52 0.00 -0.61 4.56 3.07 -1.97 -2.17 115.11 119.51 2kgo h GLN 68 Ca -0.50 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.29 2kgo h GLN 68 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.76 2kgo h GLN 68 CO 0.58 0.03 0.35 0.00 0.09 0.00 0.00 178.83 179.88 2kgo h ALA 69 N 1.97 0.79 -0.03 0.06 0.00 -2.00 -1.28 119.26 118.78 2kgo h ALA 69 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kgo h ALA 69 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kgo h ALA 69 CO 0.00 0.04 -0.72 0.00 0.00 0.00 0.00 179.25 178.57 2kgo h ARG 70 N 0.66 0.17 -0.11 0.00 2.47 -1.78 -2.07 114.38 113.72 2kgo h ARG 70 Ca 0.26 -0.14 -0.14 0.00 -1.26 0.00 0.00 59.98 58.70 2kgo h ARG 70 Cb 0.11 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2kgo h ARG 70 CO -0.14 0.82 -0.55 0.00 0.56 0.00 0.00 179.97 180.65 2kgo h ARG 71 N 0.11 0.31 0.15 0.04 3.08 -1.30 -0.64 114.38 116.14 2kgo h ARG 71 Ca -0.02 -0.20 -0.35 0.00 0.07 0.00 0.00 59.98 59.49 2kgo h ARG 71 Cb 1.28 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 2kgo h ARG 71 CO 0.11 0.78 -1.79 1.05 -1.07 0.00 0.00 179.97 179.05 2kgo h GLU 72 N 0.24 0.33 -0.13 0.04 4.11 -1.30 -3.30 114.58 114.57 2kgo h GLU 72 Ca 0.00 -0.56 -0.08 0.00 0.07 0.00 0.00 59.36 58.79 2kgo h GLU 72 Cb 1.04 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2kgo h GLU 72 CO 0.09 1.27 -0.29 0.00 0.07 0.00 0.00 179.01 180.14 2kgo h ALA 73 N 0.06 1.27 -3.06 1.06 0.00 -1.43 -3.38 119.26 113.78 2kgo h ALA 73 Ca -0.37 -0.33 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 2kgo h ALA 73 Cb 2.02 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 19.32 2kgo h ALA 73 CO 0.12 0.50 -0.76 0.42 0.00 0.00 0.00 179.25 179.53 2kgo s ILE 74 N -4.38 0.93 -1.05 0.00 1.01 -0.25 -5.07 121.20 112.39 2kgo s ILE 74 Ca -0.05 -1.71 -0.24 0.00 0.00 0.00 0.00 60.65 58.66 2kgo s ILE 74 Cb 0.14 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 2kgo s ILE 74 CO 0.76 -0.76 1.99 -2.16 0.00 0.00 0.00 174.94 174.77 2kgo s PRO 75 N 1.26 2.29 0.00 2.79 0.04 -1.24 -2.21 135.00 137.93 2kgo s PRO 75 Ca 0.12 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.48 2kgo s PRO 75 Cb -0.20 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2kgo s PRO 75 CO -0.17 -4.01 0.00 0.41 0.04 0.00 0.00 177.00 173.28 2kgo n GLY 76 N 6.26 0.92 3.77 0.56 0.00 -1.26 -4.64 105.19 110.79 2kgo n GLY 76 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.44 3.39 -0.01 1.61 0.11 -0.94 -4.78 120.40 118.34 2kgo s VAL 77 Ca 0.00 1.27 0.01 0.00 -2.93 0.00 0.00 61.98 60.33 2kgo s VAL 77 Cb 0.00 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2kgo s VAL 77 CO 0.00 0.21 0.75 -2.11 -3.33 0.00 0.00 175.10 170.62 2kgo n ARG 78 N 0.63 1.15 -4.13 1.54 -4.01 -1.26 -2.97 116.66 107.60 2kgo n ARG 78 Ca 0.02 -1.01 -0.18 0.00 -1.04 0.00 0.00 57.85 55.64 2kgo n ARG 78 Cb 0.46 -0.73 -0.16 0.00 -3.04 0.00 0.00 32.46 28.99 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 -0.51 1.57 0.67 2.89 1.43 -1.26 -2.40 118.68 121.06 2kgo s LEU 79 Ca 0.02 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 2kgo s LEU 79 Cb 0.02 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.89 2kgo s LEU 79 CO 0.00 -0.01 1.11 0.00 0.23 0.00 0.00 176.35 177.68 2kgo h ILE 81 N -0.06 0.39 -0.03 0.00 2.10 -1.94 0.29 117.51 118.25 2kgo h ILE 81 Ca -0.47 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 2kgo h ILE 81 Cb 1.25 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2kgo h ILE 81 CO 0.54 0.00 -0.12 0.45 -1.08 0.00 0.00 178.15 177.94 2kgo h HIS 82 N 0.00 0.17 0.00 2.19 3.86 -1.95 -0.75 115.15 118.67 2kgo h HIS 82 Ca 0.24 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2kgo h HIS 82 Cb 1.26 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2kgo h HIS 82 CO 0.00 0.76 -0.02 0.00 0.86 0.00 0.00 177.93 179.53 2kgo h GLN 84 N 0.00 0.14 -0.96 0.00 -0.00 -0.53 -3.35 115.11 110.41 2kgo h GLN 84 Ca -0.00 -0.25 0.09 0.00 -0.00 0.00 0.00 58.65 58.50 2kgo h GLN 84 Cb 0.88 0.09 -0.07 0.00 0.00 0.00 0.00 27.48 28.38 2kgo h GLN 84 CO 0.00 1.12 0.62 -0.56 0.00 0.00 0.00 178.83 180.01 2kgo h GLN 85 N -0.63 0.99 -0.53 1.69 3.07 -1.28 0.28 115.11 118.69 2kgo h GLN 85 Ca -0.20 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.38 2kgo h GLN 85 Cb 1.45 -0.22 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 2kgo h GLN 85 CO 0.01 0.65 -0.05 1.05 0.09 0.00 0.00 178.83 180.58 2kgo h GLU 86 N 1.02 0.95 0.00 0.06 4.11 -1.76 -2.91 114.58 116.05 2kgo h GLU 86 Ca 0.45 -0.31 -0.14 0.00 0.07 0.00 0.00 59.36 59.43 2kgo h GLU 86 Cb 0.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2kgo h GLU 86 CO -0.20 0.97 -0.66 0.87 0.07 0.00 0.00 179.01 180.05 2kgo h LYS 87 N 0.86 0.00 0.00 1.06 1.79 -1.15 -3.23 116.57 115.91 2kgo h LYS 87 Ca 0.15 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 2kgo h LYS 87 Cb 0.58 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2kgo h LYS 87 CO 0.03 0.66 -0.16 0.22 -1.08 0.00 0.00 179.45 179.13 2kgo h ASP 88 N 0.00 0.00 -0.44 0.86 3.58 -0.36 -1.44 116.42 118.62 2kgo h ASP 88 Ca -0.01 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 2kgo h ASP 88 Cb 1.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 2kgo h ASP 88 CO 0.09 0.16 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.28 2kgo h LEU 89 N 0.00 1.00 0.03 2.28 3.38 -1.53 -3.36 115.31 117.11 2kgo h LEU 89 Ca -0.00 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2kgo h LEU 89 Cb 0.67 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2kgo h LEU 89 CO 0.02 1.19 -0.50 1.56 0.09 0.00 0.00 178.44 180.80 2kgo h GLN 90 N 0.83 0.28 -6.43 1.13 1.08 -1.40 -3.45 115.11 107.16 2kgo h GLN 90 Ca 0.10 -0.35 -0.54 0.00 -1.45 0.00 0.00 58.65 56.41 2kgo h GLN 90 Cb 0.83 0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2kgo h GLN 90 CO 0.07 1.07 0.81 -1.59 -0.95 0.00 0.00 178.83 178.25 2kgo s LYS 91 N -2.93 4.29 0.00 1.46 -2.85 -0.75 -4.92 119.74 114.03 2kgo s LYS 91 Ca -0.14 2.02 0.20 0.00 -1.00 0.00 0.00 55.97 57.05 2kgo s LYS 91 Cb 0.02 -3.49 1.04 0.00 -2.06 0.00 0.00 37.83 33.34 2kgo s LYS 91 CO 0.79 -0.55 1.63 -0.35 0.10 0.00 0.00 175.35 176.97 2kgo n PRO 92 N 5.00 0.33 -1.76 1.78 -0.04 -1.26 -4.88 135.00 134.16 2kgo n PRO 92 Ca 0.13 0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 2kgo n PRO 92 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.25 -0.29 -3.50 0.55 0.00 -1.26 -4.99 120.51 109.78 2kgo n ALA 93 Ca 0.10 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 2kgo n ALA 93 Cb 0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.58 -0.21 -0.44 0.00 -0.85 -1.26 -5.13 117.35 106.89 2kgo s TYR 94 Ca 0.00 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2kgo s TYR 94 Cb 0.00 0.52 0.12 0.00 0.38 0.00 0.00 41.96 42.97 2kgo s TYR 94 CO 0.00 -1.00 0.17 0.95 -1.52 0.00 0.00 175.55 174.14 2kgo s THR 95 N -3.87 2.35 0.33 -3.49 -4.23 -1.26 -4.99 115.64 100.47 2kgo s THR 95 Ca 0.09 -2.83 0.30 0.00 -1.18 0.00 0.00 61.69 58.07 2kgo s THR 95 Cb -0.03 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.46 2kgo s THR 95 CO -0.02 -0.72 2.04 1.23 -0.54 0.00 0.00 174.62 176.62 2kgo h GLY 96 N 7.01 0.00 2.00 3.99 0.00 -2.00 -2.54 103.07 111.53 2kgo h GLY 96 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2kgo h GLY 96 CO 0.60 0.00 -0.15 0.10 0.00 0.00 0.00 176.54 177.09 2kgo h TYR 97 N 0.00 0.00 -1.64 5.60 -0.00 -1.99 -3.50 116.97 115.44 2kgo h TYR 97 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kgo h TYR 97 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.14 2kgo h TYR 97 CO 0.00 0.15 -0.39 -1.71 -0.00 0.00 0.00 178.16 176.22 2kgo n ASN 98 N -3.30 -4.82 -4.09 0.10 5.15 -0.96 -5.10 115.26 102.24 2kgo n ASN 98 Ca 0.00 0.54 -0.14 0.00 -0.60 0.00 0.00 54.58 54.38 2kgo n ASN 98 Cb 0.40 -1.46 -0.12 0.00 -0.53 0.00 0.00 39.78 38.07 2kgo n ASN 98 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2kgo s ARG 99 N -3.73 0.61 -0.02 1.20 6.06 -1.25 -5.03 118.95 116.79 2kgo s ARG 99 Ca 0.00 -0.81 -0.06 0.00 -2.50 0.00 0.00 55.73 52.36 2kgo s ARG 99 Cb 0.00 -0.44 -0.04 0.00 0.06 0.00 0.00 34.95 34.53 2kgo s ARG 99 CO 0.00 0.09 0.23 1.03 -2.50 0.00 0.00 175.30 174.15 2kgo s ARG 100 N -1.63 3.53 -1.37 5.12 1.81 -1.26 -2.63 118.95 122.51 2kgo s ARG 100 Ca -0.08 -0.14 -0.07 0.00 -1.72 0.00 0.00 55.73 53.72 2kgo s ARG 100 Cb -0.10 -3.10 0.09 0.00 -0.45 0.00 0.00 34.95 31.39 2kgo s ARG 100 CO 0.01 0.68 2.39 0.41 -0.68 0.00 0.00 175.30 178.10 2kgo n GLY 101 N 1.22 4.94 3.91 -3.53 0.00 -1.06 -4.70 105.19 105.97 2kgo n GLY 101 Ca -0.13 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 2kgo n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kgo s SER 102 N 0.87 4.55 -0.26 1.61 0.15 -1.26 -4.77 113.70 114.59 2kgo s SER 102 Ca 0.54 0.72 -0.28 0.00 0.70 0.00 0.00 55.95 57.63 2kgo s SER 102 Cb 0.17 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 2kgo s SER 102 CO -0.07 -1.86 1.89 -0.75 1.20 0.00 0.00 173.24 173.65 2kgo s LYS 103 N -5.53 3.39 0.00 5.44 2.47 -1.26 -4.94 119.74 119.31 2kgo s LYS 103 Ca 0.62 1.69 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 2kgo s LYS 103 Cb -0.11 -4.22 0.00 0.00 -1.46 0.00 0.00 37.83 32.04 2kgo s LYS 103 CO 0.48 -1.79 0.55 -3.47 0.16 0.00 0.00 175.35 171.28 2kgo n ASP 104 N 10.25 0.00 0.00 1.43 2.03 -1.26 -5.01 116.55 123.99 2kgo n ASP 104 Ca 0.24 0.55 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2kgo n ASP 104 Cb 0.46 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2kgo n ASP 104 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kgo n SER 105 N -0.76 0.00 -1.18 1.67 2.88 -1.26 -5.17 113.62 109.80 2kgo n SER 105 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2kgo n SER 105 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2kgo n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kgo n GLN 106 N 0.00 -2.58 -0.19 -1.46 1.13 -1.26 -4.73 117.38 108.29 2kgo n GLN 106 Ca 0.00 1.96 0.06 0.00 -1.94 0.00 0.00 57.00 57.07 2kgo n GLN 106 Cb 0.00 -3.07 0.15 0.00 0.11 0.00 0.00 30.24 27.44 2kgo n GLN 106 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 2kgo n LEU 107 N -3.97 2.96 -0.05 1.08 -0.00 -1.26 -5.32 117.00 110.45 2kgo n LEU 107 Ca -0.04 -2.09 0.01 0.00 -0.00 0.00 0.00 56.01 53.89 2kgo n LEU 107 Cb 0.55 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2kgo n LEU 107 CO 0.02 0.72 0.27 0.54 -0.00 0.00 0.00 177.39 178.94