#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 3.21 -0.23 -5.12 0.00 -1.26 -4.90 121.76 113.46 2kgo s ALA 22 Ca 0.00 -2.70 -0.26 0.00 0.00 0.00 0.00 51.96 49.00 2kgo s ALA 22 Cb 0.00 -4.36 0.07 0.00 0.00 0.00 0.00 23.12 18.83 2kgo s ALA 22 CO 0.00 -3.25 0.71 -1.54 0.00 0.00 0.00 175.76 171.68 2kgo s SER 23 N 4.13 -0.73 -0.37 0.00 1.04 -1.26 -4.69 113.70 111.82 2kgo s SER 23 Ca 0.43 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 58.16 2kgo s SER 23 Cb -0.01 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.40 2kgo s SER 23 CO -0.05 -0.32 0.11 0.61 0.98 0.00 0.00 173.24 174.58 2kgo n GLY 24 N 2.35 0.36 0.04 7.32 0.00 -1.26 -4.90 105.19 109.10 2kgo n GLY 24 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.62 -0.01 0.00 1.61 4.27 -1.26 -5.03 117.44 113.40 2kgo n TRP 25 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 2kgo n TRP 25 Cb 0.53 0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 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 -1.52 0.00 -1.84 -1.67 0.00 -1.26 -5.01 120.51 109.21 2kgo n ALA 26 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kgo n ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.08 3.82 -4.07 0.00 3.02 -1.26 -4.52 115.26 111.18 2kgo n ASN 27 Ca 0.00 -2.82 -0.09 0.00 -0.03 0.00 0.00 54.58 51.64 2kgo n ASN 27 Cb 0.00 -1.59 -0.10 0.00 -0.61 0.00 0.00 39.78 37.47 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 3.95 0.57 0.25 6.41 1.11 -1.26 -4.26 116.67 123.44 2kgo s ASP 28 Ca 0.52 -0.79 -0.04 0.00 0.18 0.00 0.00 52.55 52.42 2kgo s ASP 28 Cb 0.11 0.13 0.30 0.00 1.07 0.00 0.00 42.92 44.53 2kgo s ASP 28 CO -0.00 -0.43 1.83 -0.78 1.18 0.00 0.00 175.17 176.96 2kgo h ASP 29 N 3.76 0.95 0.77 0.27 3.58 -1.98 0.10 116.42 123.87 2kgo h ASP 29 Ca -0.34 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kgo h ASP 29 Cb 1.17 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2kgo h ASP 29 CO 0.55 0.85 0.00 0.00 -2.88 0.00 0.00 179.24 177.76 2kgo n ALA 30 N -2.44 1.81 -0.03 -0.78 0.00 -1.26 -2.62 120.51 115.19 2kgo n ALA 30 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2kgo n ALA 30 Cb 0.18 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.90 0.41 0.20 0.00 0.31 -1.00 -4.57 118.33 111.78 2kgo n VAL 31 Ca 0.04 -0.31 0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2kgo n VAL 31 Cb 0.24 -0.48 0.33 0.00 -0.91 0.00 0.00 33.84 33.03 2kgo n VAL 31 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2kgo h ASN 32 N 0.00 0.00 0.34 4.52 -1.24 -0.73 -2.15 115.58 116.32 2kgo h ASN 32 Ca -0.16 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.77 2kgo h ASN 32 Cb 1.20 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 2kgo h ASN 32 CO 0.01 0.27 -0.37 1.05 -1.29 0.00 0.00 177.43 177.10 2kgo h GLU 33 N 0.00 0.05 -0.18 6.67 4.11 -1.75 -0.16 114.58 123.32 2kgo h GLU 33 Ca -0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2kgo h GLU 33 Cb 0.92 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kgo h GLU 33 CO 0.04 0.42 -0.25 0.37 0.07 0.00 0.00 179.01 179.65 2kgo h GLN 34 N 0.04 0.49 0.00 1.06 4.15 -1.65 -3.22 115.11 115.98 2kgo h GLN 34 Ca 0.00 -0.29 -0.05 0.00 0.77 0.00 0.00 58.65 59.09 2kgo h GLN 34 Cb 0.68 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2kgo h GLN 34 CO 0.05 0.88 -0.23 0.82 -1.93 0.00 0.00 178.83 178.42 2kgo h ILE 35 N 0.15 0.96 -1.41 2.39 1.08 -1.21 -3.39 117.51 116.09 2kgo h ILE 35 Ca 0.02 -0.83 -0.38 0.00 -0.39 0.00 0.00 64.86 63.28 2kgo h ILE 35 Cb 0.82 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2kgo h ILE 35 CO 0.06 0.22 1.25 0.21 -0.69 0.00 0.00 178.15 179.20 2kgo s ASN 36 N -6.67 4.50 0.00 1.72 2.47 -0.09 -4.78 114.94 112.09 2kgo s ASN 36 Ca -0.03 0.68 0.24 0.00 0.42 0.00 0.00 52.86 54.17 2kgo s ASN 36 Cb 0.14 -2.52 0.44 0.00 -1.45 0.00 0.00 41.25 37.86 2kgo s ASN 36 CO 0.67 -2.98 1.40 -1.54 -3.72 0.00 0.00 177.10 170.93 2kgo n SER 37 N 15.82 2.94 -0.36 -4.21 3.41 -1.26 -4.57 113.62 125.39 2kgo n SER 37 Ca 0.36 -1.92 0.04 0.00 -0.26 0.00 0.00 58.87 57.09 2kgo n SER 37 Cb 0.52 -0.13 0.19 0.00 -0.26 0.00 0.00 64.21 64.53 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 4.12 1.03 -0.28 6.66 2.02 -1.96 0.10 112.91 124.60 2kgo h THR 38 Ca 0.00 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 2kgo h THR 38 Cb 0.89 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2kgo h THR 38 CO 0.00 0.20 0.08 0.40 0.37 0.00 0.00 175.52 176.57 2kgo h ILE 39 N 1.11 1.21 0.00 3.11 1.08 -2.00 -2.96 117.51 119.06 2kgo h ILE 39 Ca 0.45 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2kgo h ILE 39 Cb 0.28 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2kgo h ILE 39 CO -0.21 0.22 -0.21 1.05 -0.69 0.00 0.00 178.15 178.32 2kgo h GLU 40 N 0.28 0.00 -0.46 2.37 4.11 -1.62 -3.07 114.58 116.19 2kgo h GLU 40 Ca 0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.42 2kgo h GLU 40 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kgo h GLU 40 CO -0.00 0.00 -0.09 -0.44 0.07 0.00 0.00 179.01 178.55 2kgo h ASP 41 N 0.00 0.88 -0.86 3.06 3.32 -0.77 -1.15 116.42 120.90 2kgo h ASP 41 Ca 0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2kgo h ASP 41 Cb 0.95 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2kgo h ASP 41 CO 0.00 1.03 0.49 0.00 -1.72 0.00 0.00 179.24 179.04 2kgo h ALA 42 N 0.88 1.10 -0.12 3.45 0.00 -1.43 -0.66 119.26 122.49 2kgo h ALA 42 Ca 0.12 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2kgo h ALA 42 Cb 0.63 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kgo h ALA 42 CO 0.04 0.59 -0.81 0.82 0.00 0.00 0.00 179.25 179.90 2kgo h ILE 43 N 1.20 1.30 -0.19 0.00 1.08 -1.52 -2.94 117.51 116.43 2kgo h ILE 43 Ca 0.31 -2.05 -0.18 0.00 -0.39 0.00 0.00 64.86 62.54 2kgo h ILE 43 Cb 0.00 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2kgo h ILE 43 CO -0.05 0.64 -0.62 0.00 -0.69 0.00 0.00 178.15 177.43 2kgo h ALA 44 N 0.62 0.54 0.00 1.87 0.00 -1.02 -2.82 119.26 118.44 2kgo h ALA 44 Ca -0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2kgo h ALA 44 Cb 1.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2kgo h ALA 44 CO 0.16 0.70 -0.29 0.07 0.00 0.00 0.00 179.25 179.89 2kgo h ARG 45 N 0.50 0.00 0.21 0.00 0.11 -1.21 -1.32 114.38 112.66 2kgo h ARG 45 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2kgo h ARG 45 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kgo h ARG 45 CO 0.12 0.29 -0.10 0.00 0.10 0.00 0.00 179.97 180.38 2kgo h ALA 46 N 1.71 -0.28 0.00 0.08 0.00 -1.44 -3.44 119.26 115.90 2kgo h ALA 46 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kgo h ALA 46 Cb 1.05 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kgo h ALA 46 CO 0.04 -0.29 0.00 2.89 0.00 0.00 0.00 179.25 181.89 2kgo n ARG 47 N -4.95 0.15 -2.30 0.00 -4.01 -1.07 -5.08 116.66 99.40 2kgo n ARG 47 Ca -0.06 -0.02 -0.06 0.00 -1.04 0.00 0.00 57.85 56.66 2kgo n ARG 47 Cb 0.20 -0.35 0.03 0.00 -3.04 0.00 0.00 32.46 29.30 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 0.03 -0.09 0.02 2.89 0.00 -0.50 -5.03 105.19 102.50 2kgo n GLY 48 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.45 0.00 -6.44 1.61 4.81 -1.78 -3.47 114.58 108.86 2kgo h GLU 49 Ca -0.26 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.44 2kgo h GLU 49 Cb 1.13 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2kgo h GLU 49 CO 0.20 0.00 0.23 0.42 -0.73 0.00 0.00 179.01 179.13 2kgo s ILE 50 N -1.28 4.57 0.00 2.32 1.01 -1.26 -4.43 121.20 122.13 2kgo s ILE 50 Ca -0.03 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.42 2kgo s ILE 50 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2kgo s ILE 50 CO 0.04 0.38 0.00 -0.81 0.00 0.00 0.00 174.94 174.55 2kgo n PRO 51 N 2.53 2.79 0.00 2.79 -0.04 -1.26 -4.65 135.00 137.16 2kgo n PRO 51 Ca -0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 2kgo n PRO 51 Cb 0.49 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.22 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 0.09 -0.67 0.54 1.74 -1.26 -4.88 116.66 112.22 2kgo n ARG 52 Ca 0.00 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2kgo n ARG 52 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.31 1.65 0.00 -0.13 0.00 -1.26 -5.00 105.19 100.14 2kgo n GLY 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.25 -1.79 1.61 1.02 -1.26 -4.53 120.64 114.95 2kgo n GLU 54 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2kgo n GLU 54 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kgo s SER 55 N -1.00 4.79 1.02 1.62 0.01 -1.26 -4.28 113.70 114.59 2kgo s SER 55 Ca 0.00 0.63 -0.16 0.00 1.31 0.00 0.00 55.95 57.73 2kgo s SER 55 Cb 0.00 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.92 2kgo s SER 55 CO 0.00 -2.72 1.19 -1.48 0.41 0.00 0.00 173.24 170.64 2kgo s LEU 56 N 10.95 1.81 0.00 2.44 0.05 -1.19 -4.91 118.68 127.82 2kgo s LEU 56 Ca 0.83 0.62 0.08 0.00 0.05 0.00 0.00 54.13 55.71 2kgo s LEU 56 Cb -0.14 -2.66 0.12 0.00 -2.05 0.00 0.00 46.19 41.46 2kgo s LEU 56 CO 0.21 -3.14 0.91 -0.67 -0.55 0.00 0.00 176.35 173.12 2kgo n ASP 57 N -4.10 2.03 -3.60 1.48 2.03 -1.26 -4.81 116.55 108.31 2kgo n ASP 57 Ca 0.12 -1.57 -0.26 0.00 0.52 0.00 0.00 54.79 53.60 2kgo n ASP 57 Cb 0.59 -0.06 -0.17 0.00 -0.72 0.00 0.00 41.12 40.77 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kgo s GLU 58 N -0.79 0.06 0.15 -0.67 2.02 -1.26 -2.40 118.70 115.81 2kgo s GLU 58 Ca 0.12 -0.06 -0.34 0.00 0.02 0.00 0.00 54.97 54.71 2kgo s GLU 58 Cb 0.07 -1.78 -0.16 0.00 0.10 0.00 0.00 34.13 32.37 2kgo s GLU 58 CO 0.11 -0.66 1.26 0.00 0.02 0.00 0.00 175.26 175.98 2kgo n GLU 60 N 2.10 0.10 -0.02 0.00 0.28 -0.88 -0.80 120.64 121.42 2kgo n GLU 60 Ca 0.16 -0.02 -0.22 0.00 -0.16 0.00 0.00 57.16 56.92 2kgo n GLU 60 Cb 0.24 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.47 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 -1.43 0.72 -0.31 3.44 -0.58 -1.26 -4.67 120.64 116.55 2kgo n GLU 61 Ca 0.08 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2kgo n GLU 61 Cb 0.33 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.49 3.76 0.00 0.00 0.02 -4.94 105.19 104.53 2kgo n GLY 63 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.32 3.30 -0.29 4.61 0.00 -1.26 -4.31 121.76 122.50 2kgo s ALA 64 Ca 0.00 0.82 -0.35 0.00 0.00 0.00 0.00 51.96 52.42 2kgo s ALA 64 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 2kgo s ALA 64 CO 0.00 -0.14 2.07 -2.30 0.00 0.00 0.00 175.76 175.39 2kgo n PRO 65 N 0.83 1.33 -2.20 0.00 -0.02 -1.26 -2.21 135.00 131.47 2kgo n PRO 65 Ca 0.01 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 2kgo n PRO 65 Cb 0.46 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 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 6.23 3.86 0.51 4.25 -1.09 -1.01 -4.72 121.20 129.23 2kgo s ILE 66 Ca 1.04 1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 60.38 2kgo s ILE 66 Cb -0.83 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 36.26 2kgo s ILE 66 CO 0.51 -0.08 0.99 -2.16 -1.23 0.00 0.00 174.94 172.97 2kgo s PRO 67 N 3.52 3.94 0.54 2.79 0.04 -1.26 -4.87 135.00 139.70 2kgo s PRO 67 Ca 0.65 1.02 0.19 0.00 0.04 0.00 0.00 61.00 62.90 2kgo s PRO 67 Cb -0.29 -2.13 1.39 0.00 0.04 0.00 0.00 34.50 33.51 2kgo s PRO 67 CO 0.23 -0.28 2.17 -0.56 0.04 0.00 0.00 177.00 178.61 2kgo h GLN 68 N 1.08 0.00 -0.55 4.56 -0.00 -1.98 -2.10 115.11 116.11 2kgo h GLN 68 Ca -0.47 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.19 2kgo h GLN 68 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.64 2kgo h GLN 68 CO 0.61 0.00 0.35 0.00 -0.00 0.00 0.00 178.83 179.79 2kgo h ALA 69 N 1.99 0.71 -0.03 0.06 0.00 -2.00 -0.84 119.26 119.16 2kgo h ALA 69 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2kgo h ALA 69 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kgo h ALA 69 CO -0.00 0.09 -0.69 0.00 0.00 0.00 0.00 179.25 178.64 2kgo h ARG 70 N 0.70 0.14 -0.24 0.00 2.47 -1.78 -2.47 114.38 113.20 2kgo h ARG 70 Ca 0.21 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 2kgo h ARG 70 Cb -0.02 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kgo h ARG 70 CO -0.07 0.78 -0.36 0.00 0.56 0.00 0.00 179.97 180.87 2kgo h ARG 71 N 0.09 0.66 0.02 0.04 3.08 -1.18 -1.51 114.38 115.58 2kgo h ARG 71 Ca -0.02 -0.39 -0.23 0.00 0.07 0.00 0.00 59.98 59.41 2kgo h ARG 71 Cb 1.23 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 2kgo h ARG 71 CO 0.10 1.01 -1.17 1.05 -1.07 0.00 0.00 179.97 179.89 2kgo h GLU 72 N 0.37 0.03 -0.18 0.04 -0.00 -1.22 -3.30 114.58 110.32 2kgo h GLU 72 Ca 0.02 -0.06 -0.07 0.00 -0.00 0.00 0.00 59.36 59.26 2kgo h GLU 72 Cb 0.95 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.72 2kgo h GLU 72 CO 0.08 0.93 -0.15 0.00 -0.00 0.00 0.00 179.01 179.87 2kgo h ALA 73 N 0.94 0.26 -3.52 1.06 0.00 -1.52 -3.42 119.26 113.06 2kgo h ALA 73 Ca -0.08 -0.33 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 2kgo h ALA 73 Cb 1.84 -0.06 -0.37 0.00 0.00 0.00 0.00 17.79 19.20 2kgo h ALA 73 CO 0.13 0.15 -0.68 0.42 0.00 0.00 0.00 179.25 179.27 2kgo s ILE 74 N -4.38 2.65 -0.56 0.00 1.01 -0.57 -5.06 121.20 114.29 2kgo s ILE 74 Ca -0.14 -2.07 -0.27 0.00 0.00 0.00 0.00 60.65 58.17 2kgo s ILE 74 Cb 0.06 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2kgo s ILE 74 CO 0.77 -0.51 1.79 -2.16 0.00 0.00 0.00 174.94 174.83 2kgo s PRO 75 N 1.04 2.82 0.00 2.79 0.04 -1.26 -2.35 135.00 138.08 2kgo s PRO 75 Ca 0.06 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2kgo s PRO 75 Cb -0.20 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2kgo s PRO 75 CO -0.06 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 174.89 2kgo n GLY 76 N 5.60 1.47 3.77 0.56 0.00 -1.26 -4.81 105.19 110.52 2kgo n GLY 76 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 2.93 -0.01 1.61 0.11 -0.99 -4.81 120.40 117.25 2kgo s VAL 77 Ca 0.00 0.86 0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2kgo s VAL 77 Cb 0.00 -3.51 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 2kgo s VAL 77 CO 0.00 0.14 0.86 -2.11 -3.33 0.00 0.00 175.10 170.66 2kgo n ARG 78 N 0.41 0.20 -4.11 1.54 -4.01 -1.26 -3.19 116.66 106.24 2kgo n ARG 78 Ca 0.02 -0.98 -0.21 0.00 -1.04 0.00 0.00 57.85 55.64 2kgo n ARG 78 Cb 0.44 -0.59 -0.17 0.00 -3.04 0.00 0.00 32.46 29.11 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 -0.24 1.21 0.72 2.89 1.43 -1.26 -2.07 118.68 121.36 2kgo s LEU 79 Ca 0.02 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2kgo s LEU 79 Cb 0.02 -0.51 0.03 0.00 0.03 0.00 0.00 46.19 45.77 2kgo s LEU 79 CO 0.00 -0.08 1.11 0.00 0.23 0.00 0.00 176.35 177.62 2kgo h ILE 81 N -0.57 0.33 0.03 0.00 2.10 -1.94 0.37 117.51 117.84 2kgo h ILE 81 Ca -0.45 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.41 2kgo h ILE 81 Cb 1.25 0.65 0.01 0.00 -1.09 0.00 0.00 36.82 37.63 2kgo h ILE 81 CO 0.52 0.00 -0.31 0.45 -1.08 0.00 0.00 178.15 177.73 2kgo h HIS 82 N 0.00 0.25 0.00 2.19 3.86 -1.97 -1.66 115.15 117.82 2kgo h HIS 82 Ca 0.17 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kgo h HIS 82 Cb 1.02 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2kgo h HIS 82 CO 0.00 1.04 0.00 0.00 0.86 0.00 0.00 177.93 179.83 2kgo h GLN 84 N 0.00 0.17 -0.89 0.00 -0.00 -0.41 -3.30 115.11 110.68 2kgo h GLN 84 Ca 0.00 -0.30 0.11 0.00 -0.00 0.00 0.00 58.65 58.46 2kgo h GLN 84 Cb 0.61 0.11 -0.07 0.00 0.00 0.00 0.00 27.48 28.13 2kgo h GLN 84 CO 0.00 1.14 0.58 -0.56 0.00 0.00 0.00 178.83 179.99 2kgo h GLN 85 N -0.54 0.81 -0.21 1.69 3.07 -1.40 0.14 115.11 118.67 2kgo h GLN 85 Ca -0.24 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 58.27 2kgo h GLN 85 Cb 1.55 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.93 2kgo h GLN 85 CO 0.02 0.53 -0.56 1.05 0.09 0.00 0.00 178.83 179.96 2kgo h GLU 86 N 0.83 0.75 -0.00 0.06 4.11 -1.74 -3.28 114.58 115.31 2kgo h GLU 86 Ca 0.43 -0.53 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 2kgo h GLU 86 Cb 0.50 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2kgo h GLU 86 CO -0.19 1.15 -0.81 0.87 0.07 0.00 0.00 179.01 180.10 2kgo h LYS 87 N 0.47 0.04 0.00 1.06 1.79 -1.33 -3.24 116.57 115.36 2kgo h LYS 87 Ca -0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2kgo h LYS 87 Cb 1.18 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2kgo h LYS 87 CO 0.12 0.82 -0.11 0.22 -1.08 0.00 0.00 179.45 179.42 2kgo h ASP 88 N 0.02 0.00 -0.27 0.86 3.58 -0.84 -0.85 116.42 118.92 2kgo h ASP 88 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 2kgo h ASP 88 Cb 1.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 2kgo h ASP 88 CO 0.11 0.11 -0.49 -0.07 -2.88 0.00 0.00 179.24 176.02 2kgo h LEU 89 N 0.00 0.93 0.22 2.28 3.38 -1.64 -3.36 115.31 117.12 2kgo h LEU 89 Ca -0.00 -0.47 -0.33 0.00 0.09 0.00 0.00 57.88 57.17 2kgo h LEU 89 Cb 0.52 -0.27 0.03 0.00 0.09 0.00 0.00 40.66 41.03 2kgo h LEU 89 CO 0.01 1.26 -1.50 1.56 0.09 0.00 0.00 178.44 179.86 2kgo h GLN 90 N 0.67 0.47 -6.53 1.13 1.08 -1.37 -3.45 115.11 107.11 2kgo h GLN 90 Ca 0.03 -0.80 -0.53 0.00 -1.45 0.00 0.00 58.65 55.90 2kgo h GLN 90 Cb 1.08 0.30 0.01 0.00 -0.05 0.00 0.00 27.48 28.82 2kgo h GLN 90 CO 0.11 1.38 0.56 -1.59 -0.95 0.00 0.00 178.83 178.34 2kgo s LYS 91 N -2.57 4.45 0.00 1.46 -2.85 -0.44 -4.92 119.74 114.87 2kgo s LYS 91 Ca -0.12 1.79 0.31 0.00 -1.00 0.00 0.00 55.97 56.94 2kgo s LYS 91 Cb 0.04 -3.32 1.59 0.00 -2.06 0.00 0.00 37.83 34.08 2kgo s LYS 91 CO 0.90 -0.21 2.05 -0.35 0.10 0.00 0.00 175.35 177.84 2kgo n PRO 92 N 3.59 1.19 -1.37 1.78 -0.04 -1.26 -4.90 135.00 134.00 2kgo n PRO 92 Ca 0.08 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 2kgo n PRO 92 Cb 0.46 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.62 -0.19 -2.77 0.55 0.00 -1.26 -4.99 120.51 111.23 2kgo n ALA 93 Ca 0.22 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 2kgo n ALA 93 Cb 0.20 -1.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.41 0.13 -0.13 0.00 -0.85 -1.26 -5.04 117.35 107.80 2kgo s TYR 94 Ca 0.00 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.18 2kgo s TYR 94 Cb 0.00 -0.09 -0.05 0.00 0.38 0.00 0.00 41.96 42.20 2kgo s TYR 94 CO 0.00 -0.41 0.15 0.25 -1.52 0.00 0.00 175.55 174.02 2kgo n THR 95 N 0.67 0.00 0.00 -3.49 -2.24 -1.26 -5.06 114.28 102.90 2kgo n THR 95 Ca -0.19 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2kgo n THR 95 Cb 0.59 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.50 2.13 3.77 3.38 0.00 -1.26 -4.94 105.19 109.77 2kgo n GLY 96 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 3.20 -0.50 1.61 1.13 -1.26 -4.97 117.35 116.56 2kgo s TYR 97 Ca 0.00 1.57 -0.28 0.00 -1.41 0.00 0.00 57.07 56.95 2kgo s TYR 97 Cb 0.00 -3.41 0.00 0.00 -1.10 0.00 0.00 41.96 37.46 2kgo s TYR 97 CO 0.00 -1.20 1.56 -0.80 -2.51 0.00 0.00 175.55 172.60 2kgo s ASN 98 N -0.98 5.99 0.10 -0.18 -0.87 -1.26 -5.01 114.94 112.73 2kgo s ASN 98 Ca 0.53 0.59 -0.18 0.00 -1.57 0.00 0.00 52.86 52.22 2kgo s ASN 98 Cb -0.32 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.30 2kgo s ASN 98 CO 0.41 -1.76 0.58 -0.13 -2.57 0.00 0.00 177.10 173.63 2kgo s ARG 99 N 5.67 4.17 0.57 -0.60 0.52 -1.26 -5.11 118.95 122.90 2kgo s ARG 99 Ca 0.62 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 2kgo s ARG 99 Cb -0.14 -3.14 0.04 0.00 0.52 0.00 0.00 34.95 32.23 2kgo s ARG 99 CO 0.27 0.58 0.80 1.03 0.02 0.00 0.00 175.30 178.01 2kgo s ARG 100 N -1.37 2.51 -1.07 3.54 3.00 -1.26 -4.92 118.95 119.38 2kgo s ARG 100 Ca 0.32 -0.70 -0.24 0.00 0.00 0.00 0.00 55.73 55.11 2kgo s ARG 100 Cb -0.18 -2.45 -0.11 0.00 0.00 0.00 0.00 34.95 32.21 2kgo s ARG 100 CO 0.19 -0.77 2.02 0.20 0.00 0.00 0.00 175.30 176.94 2kgo s GLY 101 N -4.43 -0.19 -0.26 -3.53 0.00 -1.26 -4.81 107.32 92.83 2kgo s GLY 101 Ca 0.57 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 2kgo s GLY 101 CO 0.39 3.76 0.56 -1.35 0.00 0.00 0.00 173.10 176.46 2kgo s SER 102 N 7.61 -0.82 0.17 1.64 1.04 -1.26 -4.84 113.70 117.24 2kgo s SER 102 Ca 0.74 1.28 -0.24 0.00 0.48 0.00 0.00 55.95 58.21 2kgo s SER 102 Cb -0.04 1.93 0.06 0.00 0.10 0.00 0.00 66.02 68.07 2kgo s SER 102 CO 0.11 -0.23 0.82 -1.59 0.98 0.00 0.00 173.24 173.33 2kgo s LYS 103 N 2.79 1.33 -1.10 4.02 -2.85 -1.26 -5.08 119.74 117.58 2kgo s LYS 103 Ca -0.02 -0.67 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 2kgo s LYS 103 Cb -0.12 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2kgo s LYS 103 CO -0.17 -0.60 1.83 0.34 0.10 0.00 0.00 175.35 176.85 2kgo s ASP 104 N -2.83 5.62 -0.10 0.03 2.15 -1.26 -4.94 116.67 115.34 2kgo s ASP 104 Ca 0.09 -1.49 -0.01 0.00 0.43 0.00 0.00 52.55 51.56 2kgo s ASP 104 Cb -0.03 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2kgo s ASP 104 CO -0.01 -2.39 -0.03 -0.44 -0.17 0.00 0.00 175.17 172.13 2kgo s SER 105 N 6.29 4.91 0.34 -0.34 0.01 -1.26 -5.10 113.70 118.55 2kgo s SER 105 Ca 0.63 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.95 2kgo s SER 105 Cb -0.01 -1.46 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 2kgo s SER 105 CO 0.05 0.31 0.33 0.00 0.41 0.00 0.00 173.24 174.34 2kgo s GLN 106 N -0.50 1.80 -0.02 12.44 -2.07 -1.26 -4.71 119.66 125.35 2kgo s GLN 106 Ca 0.08 -1.97 0.03 0.00 -1.82 0.00 0.00 55.36 51.69 2kgo s GLN 106 Cb -0.12 0.35 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 2kgo s GLN 106 CO 0.02 -0.69 0.93 1.47 -1.32 0.00 0.00 175.29 175.70 2kgo n LEU 107 N -0.61 0.52 0.00 2.60 -0.00 -1.26 -4.58 117.00 113.66 2kgo n LEU 107 Ca 0.06 -1.22 0.15 0.00 -0.00 0.00 0.00 56.01 55.00 2kgo n LEU 107 Cb 0.62 -0.07 0.87 0.00 -0.00 0.00 0.00 43.42 44.84 2kgo n LEU 107 CO 0.32 0.29 1.04 0.54 -0.00 0.00 0.00 177.39 179.58