#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 -2.08 -0.14 -5.12 0.00 -1.26 -5.13 121.76 108.03 2kgo s ALA 22 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2kgo s ALA 22 Cb 0.00 -2.69 0.06 0.00 0.00 0.00 0.00 23.12 20.49 2kgo s ALA 22 CO 0.00 -2.23 0.30 -1.54 0.00 0.00 0.00 175.76 172.30 2kgo s SER 23 N 1.10 -0.07 0.00 0.00 1.04 -1.26 -4.94 113.70 109.57 2kgo s SER 23 Ca 0.26 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2kgo s SER 23 Cb -0.01 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2kgo s SER 23 CO -0.06 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2kgo n GLY 24 N 4.83 2.65 0.30 7.32 0.00 -1.26 -4.81 105.19 114.21 2kgo n GLY 24 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 0.82 0.00 1.61 5.08 -2.00 -3.37 115.95 118.09 2kgo h TRP 25 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2kgo h TRP 25 Cb 0.00 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 25.91 2kgo h TRP 25 CO 0.00 0.36 -0.37 0.00 -1.28 0.00 0.00 178.44 177.14 2kgo n ALA 26 N -2.37 2.84 -1.03 0.11 0.00 -1.26 -4.90 120.51 113.90 2kgo n ALA 26 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 2kgo n ALA 26 Cb 0.24 0.19 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 2kgo n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kgo n ASN 27 N -2.55 5.92 0.00 0.00 6.94 -1.26 -4.48 115.26 119.83 2kgo n ASN 27 Ca 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 2kgo n ASN 27 Cb 0.19 -1.39 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 2kgo n ASN 27 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2kgo n ASP 28 N 2.86 0.00 0.09 0.53 2.03 -1.26 -4.27 116.55 116.53 2kgo n ASP 28 Ca 0.51 0.35 0.00 0.00 0.52 0.00 0.00 54.79 56.16 2kgo n ASP 28 Cb 0.68 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2kgo n ASP 28 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kgo n ASP 29 N -1.04 -1.58 0.27 1.67 2.03 -1.26 -4.72 116.55 111.93 2kgo n ASP 29 Ca 0.00 0.35 0.18 0.00 0.52 0.00 0.00 54.79 55.84 2kgo n ASP 29 Cb 0.00 1.75 0.89 0.00 -0.72 0.00 0.00 41.12 43.05 2kgo n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kgo h ALA 30 N 0.00 1.00 0.00 -1.67 0.00 -1.95 -1.76 119.26 114.87 2kgo h ALA 30 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2kgo h ALA 30 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2kgo h ALA 30 CO 0.00 0.00 -1.91 0.28 0.00 0.00 0.00 179.25 177.62 2kgo n VAL 31 N -2.85 0.91 0.23 0.00 0.31 -1.26 -4.63 118.33 111.04 2kgo n VAL 31 Ca -0.01 -0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.01 2kgo n VAL 31 Cb 0.14 -1.03 0.56 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.01 -1.00 4.52 -0.00 -1.73 -1.97 115.58 115.42 2kgo h ASN 32 Ca -0.36 -0.00 0.12 0.00 -0.00 0.00 0.00 56.30 56.06 2kgo h ASN 32 Cb 1.57 -0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 39.81 2kgo h ASN 32 CO -0.05 0.11 0.63 1.05 -0.00 0.00 0.00 177.43 179.17 2kgo h GLU 33 N 0.02 0.95 0.00 6.67 4.11 -1.59 -0.71 114.58 124.03 2kgo h GLU 33 Ca 0.00 -0.06 -0.17 0.00 0.07 0.00 0.00 59.36 59.21 2kgo h GLU 33 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2kgo h GLU 33 CO 0.01 0.63 -0.79 1.96 0.07 0.00 0.00 179.01 180.89 2kgo h GLN 34 N 0.98 0.00 -0.07 1.06 4.20 -1.65 -3.00 115.11 116.64 2kgo h GLN 34 Ca 0.49 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 59.05 2kgo h GLN 34 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2kgo h GLN 34 CO -0.26 0.79 -0.64 0.82 -0.67 0.00 0.00 178.83 178.87 2kgo h ILE 35 N 0.00 1.40 -0.47 2.54 1.08 -1.27 -3.10 117.51 117.68 2kgo h ILE 35 Ca -0.01 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 2kgo h ILE 35 Cb 1.50 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 2kgo h ILE 35 CO 0.10 0.61 0.00 0.59 -0.69 0.00 0.00 178.15 178.76 2kgo n ASN 36 N -3.85 2.97 -0.36 1.72 3.02 -0.34 -4.41 115.26 114.01 2kgo n ASN 36 Ca -0.03 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 2kgo n ASN 36 Cb 0.64 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2kgo n SER 37 N 0.84 0.66 0.08 6.41 7.64 -1.14 -3.82 113.62 124.29 2kgo n SER 37 Ca 0.17 -1.82 -0.18 0.00 1.01 0.00 0.00 58.87 58.05 2kgo n SER 37 Cb 0.52 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.36 -0.34 0.44 2.02 -1.85 -1.95 112.91 112.59 2kgo h THR 38 Ca 0.00 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 2kgo h THR 38 Cb 0.33 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2kgo h THR 38 CO 0.00 0.75 0.09 0.40 0.37 0.00 0.00 175.52 177.14 2kgo h ILE 39 N 0.25 1.22 0.00 3.11 5.03 -1.96 -2.46 117.51 122.69 2kgo h ILE 39 Ca -0.13 -0.72 0.00 0.00 -0.12 0.00 0.00 64.86 63.89 2kgo h ILE 39 Cb 1.76 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 2kgo h ILE 39 CO 0.20 0.24 -0.07 1.05 -0.68 0.00 0.00 178.15 178.90 2kgo h GLU 40 N 0.40 0.00 -0.23 2.37 4.11 -1.82 -3.05 114.58 116.36 2kgo h GLU 40 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.38 2kgo h GLU 40 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kgo h GLU 40 CO -0.00 0.00 -0.48 0.22 0.07 0.00 0.00 179.01 178.82 2kgo h ASP 41 N 0.00 0.82 0.09 3.06 3.58 -1.10 0.83 116.42 123.70 2kgo h ASP 41 Ca 0.00 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 2kgo h ASP 41 Cb 0.81 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kgo h ASP 41 CO 0.00 1.22 -0.07 0.00 -2.88 0.00 0.00 179.24 177.51 2kgo h ALA 42 N 0.63 1.76 0.13 -0.78 0.00 -1.34 -0.99 119.26 118.67 2kgo h ALA 42 Ca 0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 2kgo h ALA 42 Cb 1.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kgo h ALA 42 CO 0.11 0.08 -1.54 0.82 0.00 0.00 0.00 179.25 178.73 2kgo h ILE 43 N 0.00 1.15 -0.16 0.00 1.08 -1.49 -3.39 117.51 114.71 2kgo h ILE 43 Ca -0.00 -2.78 -0.18 0.00 -0.39 0.00 0.00 64.86 61.51 2kgo h ILE 43 Cb 0.13 2.78 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 2kgo h ILE 43 CO 0.01 0.82 -0.64 0.00 -0.69 0.00 0.00 178.15 177.65 2kgo h ALA 44 N 0.45 0.58 0.00 1.87 0.00 -0.21 -1.81 119.26 120.15 2kgo h ALA 44 Ca -0.25 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 2kgo h ALA 44 Cb 2.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2kgo h ALA 44 CO 0.17 0.71 -0.10 0.07 0.00 0.00 0.00 179.25 180.10 2kgo h ARG 45 N 0.42 0.00 0.00 0.00 0.11 -1.39 -2.65 114.38 110.87 2kgo h ARG 45 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 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 0.10 -0.04 0.00 0.10 0.00 0.00 179.97 180.26 2kgo n ALA 46 N -2.30 0.61 0.21 0.08 0.00 -1.16 -4.83 120.51 113.14 2kgo n ALA 46 Ca -0.02 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.31 2kgo n ALA 46 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.58 0.53 -1.14 0.00 -4.01 -0.69 -5.05 116.66 103.72 2kgo n ARG 47 Ca -0.01 0.05 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 2kgo n ARG 47 Cb 0.02 -1.72 0.00 0.00 -3.04 0.00 0.00 32.46 27.71 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 1.24 -2.19 0.76 2.89 0.00 -1.00 -5.02 105.19 101.87 2kgo n GLY 48 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.15 0.17 -1.73 1.61 4.07 -1.26 -4.91 120.64 118.74 2kgo n GLU 49 Ca 0.00 0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.75 2kgo n GLU 49 Cb 0.00 -0.78 -0.01 0.00 -0.06 0.00 0.00 31.44 30.59 2kgo n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2kgo n ILE 50 N -3.40 1.49 0.00 6.31 2.08 -1.26 -5.02 119.36 119.56 2kgo n ILE 50 Ca -0.14 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.79 2kgo n ILE 50 Cb 0.56 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2kgo n ILE 50 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kgo n PRO 51 N 1.32 1.15 0.00 0.38 -0.04 -1.26 -4.65 135.00 131.89 2kgo n PRO 51 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2kgo n PRO 51 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2kgo n PRO 51 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kgo n ARG 52 N 0.00 0.54 0.06 0.54 -4.01 -1.26 -4.07 116.66 108.47 2kgo n ARG 52 Ca 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.72 2kgo n ARG 52 Cb 0.00 -1.23 -0.06 0.00 -3.04 0.00 0.00 32.46 28.13 2kgo n ARG 52 CO 0.00 0.00 0.00 0.78 -3.04 0.00 0.00 177.63 175.37 2kgo h GLY 53 N 3.19 -0.26 2.00 2.89 0.00 -1.90 -3.34 103.07 105.65 2kgo h GLY 53 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2kgo h GLY 53 CO 0.00 -0.09 -0.31 0.83 0.00 0.00 0.00 176.54 176.97 2kgo h GLU 54 N -0.96 0.00 -6.25 4.80 4.39 -1.85 -3.43 114.58 111.28 2kgo h GLU 54 Ca -0.03 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.12 2kgo h GLU 54 Cb 0.46 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2kgo h GLU 54 CO 0.04 0.31 0.56 -1.54 -1.16 0.00 0.00 179.01 177.22 2kgo s SER 55 N -6.42 7.24 0.79 1.42 1.04 -1.26 -4.41 113.70 112.10 2kgo s SER 55 Ca -0.01 1.52 -0.05 0.00 0.48 0.00 0.00 55.95 57.89 2kgo s SER 55 Cb 0.12 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.80 2kgo s SER 55 CO 0.67 -0.44 0.72 0.00 0.98 0.00 0.00 173.24 175.16 2kgo n LEU 56 N 5.00 0.00 -0.01 2.42 -0.00 -1.10 -4.91 117.00 118.40 2kgo n LEU 56 Ca 0.09 -1.13 0.04 0.00 -0.00 0.00 0.00 56.01 55.00 2kgo n LEU 56 Cb 0.49 -0.51 -0.04 0.00 -0.00 0.00 0.00 43.42 43.36 2kgo n LEU 56 CO 0.52 -0.94 -0.01 -0.67 -0.00 0.00 0.00 177.39 176.29 2kgo n ASP 57 N -3.21 0.39 -3.73 1.45 2.03 -1.26 -4.85 116.55 107.37 2kgo n ASP 57 Ca 0.10 -0.70 -0.24 0.00 0.52 0.00 0.00 54.79 54.48 2kgo n ASP 57 Cb 0.36 0.98 -0.17 0.00 -0.72 0.00 0.00 41.12 41.57 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 -1.71 0.43 0.10 -0.67 2.02 -1.26 -1.82 118.70 115.80 2kgo s GLU 58 Ca 0.03 0.02 -0.36 0.00 0.02 0.00 0.00 54.97 54.69 2kgo s GLU 58 Cb 0.06 -1.24 -0.15 0.00 0.10 0.00 0.00 34.13 32.90 2kgo s GLU 58 CO 0.31 -0.42 1.46 0.00 0.02 0.00 0.00 175.26 176.63 2kgo h GLU 60 N 5.30 0.00 0.00 0.00 4.11 -1.47 -0.96 114.58 121.56 2kgo h GLU 60 Ca -0.47 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 2kgo h GLU 60 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2kgo h GLU 60 CO 0.83 0.03 -0.50 0.93 0.07 0.00 0.00 179.01 180.37 2kgo h GLU 61 N 0.00 0.00 0.00 1.06 4.39 -1.91 -3.43 114.58 114.69 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 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2kgo h GLU 61 CO 0.00 0.21 -0.04 0.00 -1.16 0.00 0.00 179.01 178.03 2kgo n GLY 63 N -0.47 0.45 3.80 0.00 0.00 -0.36 -4.97 105.19 103.63 2kgo n GLY 63 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.48 2.92 -0.11 4.61 0.00 -1.26 -4.54 121.76 120.90 2kgo s ALA 64 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 2kgo s ALA 64 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2kgo s ALA 64 CO 0.00 -0.23 2.11 -0.35 0.00 0.00 0.00 175.76 177.30 2kgo n PRO 65 N -0.81 2.36 -2.30 0.00 -0.04 -1.26 -1.74 135.00 131.21 2kgo n PRO 65 Ca 0.08 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.88 2kgo n PRO 65 Cb 0.52 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.83 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kgo s ILE 66 N 6.59 3.97 0.59 0.52 -1.09 -0.76 -4.84 121.20 126.19 2kgo s ILE 66 Ca 0.96 1.11 -0.15 0.00 -2.23 0.00 0.00 60.65 60.33 2kgo s ILE 66 Cb -0.39 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 2kgo s ILE 66 CO 0.39 -0.37 1.04 -2.16 -1.23 0.00 0.00 174.94 172.61 2kgo s PRO 67 N 4.29 3.43 0.60 2.79 0.04 -1.26 -4.85 135.00 140.05 2kgo s PRO 67 Ca 0.62 1.11 0.39 0.00 0.04 0.00 0.00 61.00 63.16 2kgo s PRO 67 Cb -0.21 -2.05 1.90 0.00 0.04 0.00 0.00 34.50 34.18 2kgo s PRO 67 CO 0.25 -0.71 2.17 -0.56 0.04 0.00 0.00 177.00 178.19 2kgo h GLN 68 N 0.42 0.00 -0.37 4.56 3.07 -1.96 -2.15 115.11 118.67 2kgo h GLN 68 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.23 2kgo h GLN 68 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.75 2kgo h GLN 68 CO 0.58 0.00 0.05 0.00 0.09 0.00 0.00 178.83 179.55 2kgo h ALA 69 N 2.01 1.40 -0.09 0.06 0.00 -2.00 -0.17 119.26 120.46 2kgo h ALA 69 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 2kgo h ALA 69 Cb 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kgo h ALA 69 CO 0.00 0.43 -0.74 0.00 0.00 0.00 0.00 179.25 178.94 2kgo h ARG 70 N 0.54 0.49 0.01 0.00 2.47 -1.77 -3.09 114.38 113.03 2kgo h ARG 70 Ca 0.12 -0.40 -0.20 0.00 -1.26 0.00 0.00 59.98 58.24 2kgo h ARG 70 Cb 0.27 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2kgo h ARG 70 CO 0.00 1.03 -0.91 0.00 0.56 0.00 0.00 179.97 180.66 2kgo h ARG 71 N 0.33 0.20 0.11 0.04 3.08 -1.25 -1.02 114.38 115.87 2kgo h ARG 71 Ca -0.04 -0.23 -0.23 0.00 0.07 0.00 0.00 59.98 59.55 2kgo h ARG 71 Cb 1.33 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2kgo h ARG 71 CO 0.13 0.98 -1.14 1.05 -1.07 0.00 0.00 179.97 179.92 2kgo h GLU 72 N 0.11 0.23 -0.08 0.04 4.11 -1.21 -3.36 114.58 114.42 2kgo h GLU 72 Ca -0.05 -0.40 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2kgo h GLU 72 Cb 1.55 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 2kgo h GLU 72 CO 0.14 1.19 0.02 0.00 0.07 0.00 0.00 179.01 180.43 2kgo h ALA 73 N -0.03 0.11 -3.10 1.06 0.00 -1.62 -3.39 119.26 112.29 2kgo h ALA 73 Ca -0.24 -0.13 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 2kgo h ALA 73 Cb 1.66 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 19.08 2kgo h ALA 73 CO 0.07 -0.26 -0.54 0.42 0.00 0.00 0.00 179.25 178.93 2kgo s ILE 74 N -5.29 3.45 -1.24 0.00 1.01 -0.39 -4.75 121.20 114.01 2kgo s ILE 74 Ca -0.14 -1.86 -0.17 0.00 0.00 0.00 0.00 60.65 58.48 2kgo s ILE 74 Cb 0.05 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2kgo s ILE 74 CO 0.69 -0.60 2.13 -0.81 0.00 0.00 0.00 174.94 176.35 2kgo n PRO 75 N 4.67 2.42 0.00 2.79 -0.04 -1.26 -2.57 135.00 141.00 2kgo n PRO 75 Ca -0.05 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 2kgo n PRO 75 Cb 0.42 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.26 0.00 3.76 0.55 0.00 -1.26 -4.60 105.19 107.90 2kgo n GLY 76 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.14 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 3.62 0.00 1.61 0.11 -1.06 -4.80 120.40 119.88 2kgo s VAL 77 Ca 0.00 1.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.60 2kgo s VAL 77 Cb 0.00 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 2kgo s VAL 77 CO 0.00 0.31 0.13 0.54 -3.33 0.00 0.00 175.10 172.76 2kgo n ARG 78 N 1.00 2.29 -4.96 1.54 3.00 -1.26 -2.71 116.66 115.57 2kgo n ARG 78 Ca -0.00 -0.13 -0.32 0.00 -0.01 0.00 0.00 57.85 57.38 2kgo n ARG 78 Cb 0.46 -0.53 -0.17 0.00 0.00 0.00 0.00 32.46 32.22 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 -0.73 2.08 0.81 0.55 1.43 -1.26 -1.09 118.68 120.47 2kgo s LEU 79 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2kgo s LEU 79 Cb 0.00 -1.40 0.08 0.00 0.03 0.00 0.00 46.19 44.90 2kgo s LEU 79 CO 0.00 0.12 1.12 0.00 0.23 0.00 0.00 176.35 177.82 2kgo h ILE 81 N -1.22 0.46 0.02 0.00 2.10 -1.97 0.17 117.51 117.07 2kgo h ILE 81 Ca -0.44 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.43 2kgo h ILE 81 Cb 1.25 0.55 0.01 0.00 -1.09 0.00 0.00 36.82 37.53 2kgo h ILE 81 CO 0.48 0.00 -0.31 0.45 -1.08 0.00 0.00 178.15 177.69 2kgo h HIS 82 N 0.00 0.27 0.00 2.19 3.86 -1.99 -2.52 115.15 116.95 2kgo h HIS 82 Ca 0.36 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2kgo h HIS 82 Cb 1.59 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.04 2kgo h HIS 82 CO 0.00 1.02 0.00 0.00 0.86 0.00 0.00 177.93 179.81 2kgo h GLN 84 N 0.00 0.00 -0.23 0.00 -0.00 -0.81 -3.28 115.11 110.78 2kgo h GLN 84 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2kgo h GLN 84 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.28 2kgo h GLN 84 CO 0.00 0.93 0.16 -0.56 0.00 0.00 0.00 178.83 179.36 2kgo h GLN 85 N -1.00 0.23 -0.20 1.69 3.07 -1.56 0.29 115.11 117.64 2kgo h GLN 85 Ca -0.02 -0.01 -0.19 0.00 0.09 0.00 0.00 58.65 58.51 2kgo h GLN 85 Cb 0.95 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.46 2kgo h GLN 85 CO -0.01 0.15 -0.64 1.05 0.09 0.00 0.00 178.83 179.47 2kgo h GLU 86 N 0.24 0.71 0.00 0.06 4.11 -1.72 -3.03 114.58 114.96 2kgo h GLU 86 Ca 0.09 -0.50 -0.04 0.00 0.07 0.00 0.00 59.36 58.98 2kgo h GLU 86 Cb 0.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kgo h GLU 86 CO -0.02 1.12 -0.21 0.87 0.07 0.00 0.00 179.01 180.84 2kgo h LYS 87 N 0.52 0.00 0.00 1.06 1.79 -1.22 -2.94 116.57 115.78 2kgo h LYS 87 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2kgo h LYS 87 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2kgo h LYS 87 CO 0.13 0.21 0.00 0.22 -1.08 0.00 0.00 179.45 178.93 2kgo h ASP 88 N 0.00 0.00 0.00 0.86 3.58 -0.43 -1.87 116.42 118.56 2kgo h ASP 88 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 2kgo h ASP 88 Cb 1.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.08 2kgo h ASP 88 CO 0.03 0.00 -0.87 -0.07 -2.88 0.00 0.00 179.24 175.45 2kgo h LEU 89 N 0.00 0.83 -0.52 2.28 3.38 -1.39 -3.36 115.31 116.53 2kgo h LEU 89 Ca 0.00 -0.59 -0.14 0.00 0.09 0.00 0.00 57.88 57.24 2kgo h LEU 89 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2kgo h LEU 89 CO 0.00 1.38 -0.67 1.56 0.09 0.00 0.00 178.44 180.81 2kgo h GLN 90 N 0.43 0.00 -6.34 1.13 1.08 -1.39 -3.44 115.11 106.58 2kgo h GLN 90 Ca -0.08 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.58 2kgo h GLN 90 Cb 1.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 2kgo h GLN 90 CO 0.17 0.67 1.01 -1.59 -0.95 0.00 0.00 178.83 178.14 2kgo s LYS 91 N -3.30 4.21 0.36 1.46 -2.85 -0.94 -4.92 119.74 113.76 2kgo s LYS 91 Ca 0.00 2.19 0.11 0.00 -1.00 0.00 0.00 55.97 57.27 2kgo s LYS 91 Cb 0.11 -3.79 0.87 0.00 -2.06 0.00 0.00 37.83 32.97 2kgo s LYS 91 CO 0.76 -0.76 1.84 -1.35 0.10 0.00 0.00 175.35 175.95 2kgo h PRO 92 N 8.83 0.62 -0.28 1.78 0.11 -1.93 -3.47 132.00 137.66 2kgo h PRO 92 Ca -0.40 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2kgo h PRO 92 Cb 1.18 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2kgo h PRO 92 CO 0.94 0.41 -0.11 0.00 -0.21 0.00 0.00 178.00 179.02 2kgo n ALA 93 N -2.43 -0.09 -2.73 -0.75 0.00 -1.26 -4.98 120.51 108.27 2kgo n ALA 93 Ca 0.19 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 2kgo n ALA 93 Cb 0.56 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.89 0.61 -0.13 0.00 -0.85 -1.26 -5.11 117.35 108.72 2kgo s TYR 94 Ca 0.00 -0.93 -0.10 0.00 -0.52 0.00 0.00 57.07 55.52 2kgo s TYR 94 Cb 0.00 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2kgo s TYR 94 CO 0.00 -0.79 -0.20 0.25 -1.52 0.00 0.00 175.55 173.29 2kgo n THR 95 N -0.29 1.27 -3.46 -3.49 -2.24 -1.26 -5.02 114.28 99.78 2kgo n THR 95 Ca -0.03 0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.79 2kgo n THR 95 Cb 0.63 -2.28 0.08 0.00 -2.10 0.00 0.00 70.33 66.67 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 1.59 -0.41 3.56 3.38 0.00 -1.26 -4.89 105.19 107.16 2kgo n GLY 96 Ca -0.08 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2kgo n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgo s TYR 97 N -3.32 2.34 -0.75 1.61 6.14 -1.26 -4.94 117.35 117.17 2kgo s TYR 97 Ca 0.29 -0.42 -0.22 0.00 0.64 0.00 0.00 57.07 57.36 2kgo s TYR 97 Cb -0.13 -4.56 0.08 0.00 0.42 0.00 0.00 41.96 37.77 2kgo s TYR 97 CO 0.70 -1.94 1.06 1.21 0.64 0.00 0.00 175.55 177.22 2kgo s ASN 98 N 5.43 6.28 -0.42 4.32 2.47 -1.26 -4.94 114.94 126.83 2kgo s ASN 98 Ca 0.49 -1.18 0.02 0.00 0.42 0.00 0.00 52.86 52.61 2kgo s ASN 98 Cb -0.03 -2.44 0.14 0.00 -1.45 0.00 0.00 41.25 37.47 2kgo s ASN 98 CO -0.04 -1.41 0.24 -0.13 -3.72 0.00 0.00 177.10 172.05 2kgo s ARG 99 N 4.02 1.11 -0.22 0.43 0.52 -1.26 -5.08 118.95 118.46 2kgo s ARG 99 Ca 0.27 -1.87 -0.06 0.00 -0.52 0.00 0.00 55.73 53.55 2kgo s ARG 99 Cb -0.12 -2.05 0.11 0.00 0.52 0.00 0.00 34.95 33.41 2kgo s ARG 99 CO 0.05 -1.19 0.44 0.50 0.02 0.00 0.00 175.30 175.12 2kgo s ARG 100 N 0.47 0.36 -1.16 3.54 3.52 -1.26 -5.09 118.95 119.33 2kgo s ARG 100 Ca 0.19 0.97 -0.20 0.00 -0.13 0.00 0.00 55.73 56.56 2kgo s ARG 100 Cb -0.22 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 2kgo s ARG 100 CO -0.01 -0.34 1.93 0.41 -0.81 0.00 0.00 175.30 176.48 2kgo n GLY 101 N 5.39 2.39 0.00 8.12 0.00 -1.26 -4.34 105.19 115.49 2kgo n GLY 101 Ca -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 9.70 1.25 -4.36 1.61 7.64 -1.26 -4.93 113.62 123.27 2kgo n SER 102 Ca 0.48 -0.30 -0.46 0.00 1.01 0.00 0.00 58.87 59.60 2kgo n SER 102 Cb 0.44 0.85 -0.02 0.00 -1.01 0.00 0.00 64.21 64.47 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 -1.10 3.70 -0.23 1.43 2.47 -1.26 -5.03 119.74 119.72 2kgo s LYS 103 Ca 0.00 -2.41 -0.20 0.00 -1.56 0.00 0.00 55.97 51.80 2kgo s LYS 103 Cb 0.00 -4.58 -0.02 0.00 -1.46 0.00 0.00 37.83 31.77 2kgo s LYS 103 CO 0.00 -1.41 0.61 -0.51 0.16 0.00 0.00 175.35 174.20 2kgo s ASP 104 N 2.40 6.59 -0.63 1.43 1.01 -1.26 -4.97 116.67 121.25 2kgo s ASP 104 Ca 0.24 0.72 -0.02 0.00 0.71 0.00 0.00 52.55 54.20 2kgo s ASP 104 Cb -0.09 -2.33 0.35 0.00 1.01 0.00 0.00 42.92 41.86 2kgo s ASP 104 CO -0.09 -0.32 2.10 -0.24 0.21 0.00 0.00 175.17 176.83 2kgo n SER 105 N 5.44 7.35 -4.56 0.27 2.88 -1.26 -4.91 113.62 118.83 2kgo n SER 105 Ca -0.01 -3.62 -0.31 0.00 -1.33 0.00 0.00 58.87 53.60 2kgo n SER 105 Cb 0.49 -1.04 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 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 -3.33 2.86 -0.97 -1.46 -0.21 -1.26 -4.92 119.66 110.37 2kgo s GLN 106 Ca 0.56 -0.52 -0.24 0.00 0.02 0.00 0.00 55.36 55.18 2kgo s GLN 106 Cb 0.44 -5.14 0.04 0.00 1.00 0.00 0.00 33.01 29.35 2kgo s GLN 106 CO -0.11 -3.02 1.48 -0.48 -2.12 0.00 0.00 175.29 171.03 2kgo s LEU 107 N 8.56 3.43 0.00 2.90 2.34 -1.26 -5.32 118.68 129.32 2kgo s LEU 107 Ca 0.63 -1.23 0.30 0.00 0.06 0.00 0.00 54.13 53.88 2kgo s LEU 107 Cb -0.05 -2.57 1.48 0.00 -0.56 0.00 0.00 46.19 44.50 2kgo s LEU 107 CO -0.03 -1.67 1.99 0.54 -1.06 0.00 0.00 176.35 176.12