#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 1.14 -0.06 3.17 0.00 -1.26 -5.12 121.76 119.63 2kgo s ALA 22 Ca 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 2kgo s ALA 22 Cb 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.63 2kgo s ALA 22 CO 0.00 -1.69 0.13 0.45 0.00 0.00 0.00 175.76 174.65 2kgo s SER 23 N 1.77 -0.07 0.00 0.00 0.15 -1.26 -4.86 113.70 109.43 2kgo s SER 23 Ca 0.10 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2kgo s SER 23 Cb -0.17 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2kgo s SER 23 CO -0.29 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2kgo n GLY 24 N 4.23 3.13 0.21 9.45 0.00 -1.26 -4.90 105.19 116.05 2kgo n GLY 24 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 0.49 0.00 1.61 5.08 -2.01 -3.47 115.95 117.65 2kgo h TRP 25 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 2kgo h TRP 25 Cb 0.00 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.02 2kgo h TRP 25 CO 0.00 0.24 0.00 0.00 -1.28 0.00 0.00 178.44 177.40 2kgo n ALA 26 N -2.34 0.00 -2.31 0.11 0.00 -1.26 -5.05 120.51 109.67 2kgo n ALA 26 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2kgo n ALA 26 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.78 -4.58 -4.86 0.00 3.02 -1.26 -4.98 115.26 101.81 2kgo n ASN 27 Ca 0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 2kgo n ASN 27 Cb 0.00 -3.89 0.04 0.00 -0.61 0.00 0.00 39.78 35.31 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 -2.07 5.63 0.39 6.41 1.11 -1.26 -4.84 116.67 122.04 2kgo s ASP 28 Ca 0.00 1.30 0.06 0.00 0.18 0.00 0.00 52.55 54.09 2kgo s ASP 28 Cb 0.00 -2.20 0.79 0.00 1.07 0.00 0.00 42.92 42.58 2kgo s ASP 28 CO 0.00 -1.25 2.03 -2.24 1.18 0.00 0.00 175.17 174.89 2kgo h ASP 29 N -0.58 0.52 1.79 0.27 2.03 -1.98 0.18 116.42 118.64 2kgo h ASP 29 Ca -0.45 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 55.82 2kgo h ASP 29 Cb 1.23 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.59 2kgo h ASP 29 CO 0.62 0.40 -0.04 0.00 -1.03 0.00 0.00 179.24 179.20 2kgo h ALA 30 N 1.69 0.98 0.04 4.15 0.00 -2.01 -3.30 119.26 120.80 2kgo h ALA 30 Ca 0.16 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 2kgo h ALA 30 Cb -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2kgo h ALA 30 CO -0.03 0.05 -2.13 0.28 0.00 0.00 0.00 179.25 177.42 2kgo n VAL 31 N -3.11 1.59 1.12 0.00 0.31 -0.75 -4.06 118.33 113.42 2kgo n VAL 31 Ca 0.03 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 63.76 2kgo n VAL 31 Cb 0.51 -1.23 0.58 0.00 -0.91 0.00 0.00 33.84 32.78 2kgo n VAL 31 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2kgo n ASN 32 N -3.18 0.00 -0.37 4.52 2.04 -0.02 -2.06 115.26 116.19 2kgo n ASN 32 Ca -0.32 -0.15 0.00 0.00 -0.44 0.00 0.00 54.58 53.67 2kgo n ASN 32 Cb 1.06 -0.24 0.15 0.00 -2.53 0.00 0.00 39.78 38.22 2kgo n ASN 32 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2kgo h GLU 33 N 0.00 1.23 0.00 -3.83 4.39 -1.70 0.13 114.58 114.79 2kgo h GLU 33 Ca 0.00 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2kgo h GLU 33 Cb 0.17 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2kgo h GLU 33 CO 0.00 0.81 -0.33 1.96 -1.16 0.00 0.00 179.01 180.30 2kgo h GLN 34 N 1.27 0.00 0.00 2.33 1.08 -1.66 -0.94 115.11 117.18 2kgo h GLN 34 Ca 0.40 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.46 2kgo h GLN 34 Cb 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2kgo h GLN 34 CO -0.13 0.33 -0.86 0.82 -0.95 0.00 0.00 178.83 178.04 2kgo h ILE 35 N 0.00 0.85 -0.44 2.54 2.04 -1.58 -3.28 117.51 117.63 2kgo h ILE 35 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2kgo h ILE 35 Cb 0.59 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2kgo h ILE 35 CO 0.04 0.48 0.00 -3.20 0.00 0.00 0.00 178.15 175.48 2kgo n ASN 36 N -3.13 2.59 0.00 1.72 4.05 0.40 -4.36 115.26 116.53 2kgo n ASN 36 Ca -0.02 -1.96 0.05 0.00 0.45 0.00 0.00 54.58 53.10 2kgo n ASN 36 Cb 0.80 -0.29 0.31 0.00 1.23 0.00 0.00 39.78 41.82 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2kgo n SER 37 N 0.92 0.00 -0.24 1.20 7.64 -0.42 -2.70 113.62 120.02 2kgo n SER 37 Ca 0.17 -0.37 -0.05 0.00 1.01 0.00 0.00 58.87 59.63 2kgo n SER 37 Cb 0.42 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.25 -0.20 0.44 2.02 -1.88 -0.83 112.91 113.71 2kgo h THR 38 Ca 0.00 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2kgo h THR 38 Cb 0.00 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2kgo h THR 38 CO 0.00 0.34 0.02 0.40 0.37 0.00 0.00 175.52 176.65 2kgo h ILE 39 N 1.04 1.24 0.00 3.11 5.03 -1.90 -1.19 117.51 124.84 2kgo h ILE 39 Ca 0.23 -0.79 -0.05 0.00 -0.12 0.00 0.00 64.86 64.14 2kgo h ILE 39 Cb 0.27 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 2kgo h ILE 39 CO -0.01 0.24 -0.22 1.05 -0.68 0.00 0.00 178.15 178.53 2kgo h GLU 40 N 0.12 0.00 -0.29 2.37 4.11 -1.74 -1.81 114.58 117.34 2kgo h GLU 40 Ca 0.06 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.39 2kgo h GLU 40 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kgo h GLU 40 CO 0.01 0.22 -0.22 0.22 0.07 0.00 0.00 179.01 179.30 2kgo h ASP 41 N 0.00 0.69 -0.90 3.06 3.58 -1.05 -0.74 116.42 121.07 2kgo h ASP 41 Ca -0.00 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 57.01 2kgo h ASP 41 Cb 1.03 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.85 2kgo h ASP 41 CO 0.03 0.99 0.59 0.00 -2.88 0.00 0.00 179.24 177.97 2kgo h ALA 42 N 0.72 1.14 -0.22 -0.78 0.00 -0.79 -1.48 119.26 117.85 2kgo h ALA 42 Ca 0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2kgo h ALA 42 Cb 0.77 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kgo h ALA 42 CO 0.06 0.55 -0.66 0.82 0.00 0.00 0.00 179.25 180.02 2kgo h ILE 43 N 1.22 1.28 -0.11 0.00 1.08 -1.31 -0.86 117.51 118.80 2kgo h ILE 43 Ca 0.33 -1.85 -0.10 0.00 -0.39 0.00 0.00 64.86 62.85 2kgo h ILE 43 Cb -0.13 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2kgo h ILE 43 CO -0.07 0.59 -0.39 0.00 -0.69 0.00 0.00 178.15 177.60 2kgo h ALA 44 N 0.64 1.14 0.00 1.87 0.00 -0.94 -2.72 119.26 119.26 2kgo h ALA 44 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kgo h ALA 44 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kgo h ALA 44 CO 0.14 0.57 -0.85 0.07 0.00 0.00 0.00 179.25 179.18 2kgo h ARG 45 N 0.20 0.00 0.26 0.00 -0.00 -1.29 -2.52 114.38 111.02 2kgo h ARG 45 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.99 2kgo h ARG 45 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.75 2kgo h ARG 45 CO 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 179.97 179.91 2kgo h ALA 46 N 2.13 -0.34 0.00 0.08 0.00 -0.82 -3.41 119.26 116.89 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 0.94 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kgo h ALA 46 CO 0.00 -0.56 0.00 2.89 0.00 0.00 0.00 179.25 181.58 2kgo n ARG 47 N -5.12 0.00 -2.59 0.00 -4.01 -1.17 -5.06 116.66 98.70 2kgo n ARG 47 Ca -0.09 -0.19 -0.09 0.00 -1.04 0.00 0.00 57.85 56.43 2kgo n ARG 47 Cb 0.23 -0.32 0.04 0.00 -3.04 0.00 0.00 32.46 29.38 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 0.00 -0.38 0.07 2.89 0.00 -0.95 -5.02 105.19 101.80 2kgo n GLY 48 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.68 0.00 -6.66 1.61 4.81 -1.75 -3.47 114.58 108.44 2kgo h GLU 49 Ca -0.38 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.32 2kgo h GLU 49 Cb 1.19 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.62 2kgo h GLU 49 CO 0.27 0.44 0.75 0.42 -0.73 0.00 0.00 179.01 180.16 2kgo s ILE 50 N -2.09 2.92 0.00 2.32 1.01 -1.26 -5.05 121.20 119.06 2kgo s ILE 50 Ca -0.15 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2kgo s ILE 50 Cb 0.01 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.02 2kgo s ILE 50 CO 0.34 0.09 0.00 -0.81 0.00 0.00 0.00 174.94 174.56 2kgo n PRO 51 N 3.04 -1.14 -0.82 2.79 -0.04 -1.26 -4.90 135.00 132.67 2kgo n PRO 51 Ca 0.09 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 2kgo n PRO 51 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.48 1.61 -2.35 0.54 5.12 -1.26 -4.72 116.66 114.11 2kgo n ARG 52 Ca 0.00 -1.09 -0.19 0.00 -1.93 0.00 0.00 57.85 54.64 2kgo n ARG 52 Cb 0.00 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 29.81 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kgo n GLY 53 N 0.90 -0.39 0.00 -0.13 0.00 -1.26 -4.94 105.19 99.37 2kgo n GLY 53 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kgo n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kgo n GLU 54 N -2.84 0.00 -1.05 1.61 0.28 -1.26 -4.94 120.64 112.44 2kgo n GLU 54 Ca -0.23 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.46 2kgo n GLU 54 Cb 0.67 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.67 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2kgo s SER 55 N 1.07 3.75 0.54 -1.84 1.04 -1.26 -4.35 113.70 112.64 2kgo s SER 55 Ca 0.00 2.08 0.03 0.00 0.48 0.00 0.00 55.95 58.54 2kgo s SER 55 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.58 2kgo s SER 55 CO 0.00 -2.55 0.22 -1.48 0.98 0.00 0.00 173.24 170.41 2kgo s LEU 56 N -6.07 2.47 0.00 2.42 0.05 -1.06 -4.67 118.68 111.82 2kgo s LEU 56 Ca 0.66 -1.46 0.09 0.00 0.05 0.00 0.00 54.13 53.47 2kgo s LEU 56 Cb -0.22 -0.95 0.03 0.00 -2.05 0.00 0.00 46.19 43.00 2kgo s LEU 56 CO 0.55 -1.01 0.69 -0.90 -0.55 0.00 0.00 176.35 175.12 2kgo n ASP 57 N -1.55 1.44 -3.70 1.48 5.75 -1.26 -4.80 116.55 113.90 2kgo n ASP 57 Ca -0.10 -1.22 -0.25 0.00 -0.01 0.00 0.00 54.79 53.20 2kgo n ASP 57 Cb 0.66 0.24 -0.17 0.00 -1.03 0.00 0.00 41.12 40.82 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 -1.02 0.41 -0.05 0.11 2.02 -1.26 -1.80 118.70 117.11 2kgo s GLU 58 Ca 0.09 -0.13 -0.38 0.00 0.02 0.00 0.00 54.97 54.57 2kgo s GLU 58 Cb 0.07 -1.62 -0.16 0.00 0.10 0.00 0.00 34.13 32.52 2kgo s GLU 58 CO 0.17 -0.54 1.49 0.00 0.02 0.00 0.00 175.26 176.40 2kgo n GLU 60 N 3.57 0.18 -0.05 0.00 0.28 -0.47 -0.51 120.64 123.64 2kgo n GLU 60 Ca 0.21 0.44 -0.01 0.00 -0.16 0.00 0.00 57.16 57.64 2kgo n GLU 60 Cb 0.16 -1.87 -0.00 0.00 1.43 0.00 0.00 31.44 31.16 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 -3.43 114.58 117.08 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 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2kgo h GLU 61 CO 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.72 2kgo n GLY 63 N -0.70 0.56 3.78 0.00 0.00 0.33 -4.95 105.19 104.20 2kgo n GLY 63 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.47 2.88 -0.24 4.61 0.00 -1.26 -4.32 121.76 121.96 2kgo s ALA 64 Ca 0.00 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 2kgo s ALA 64 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2kgo s ALA 64 CO 0.00 -0.62 2.09 -2.14 0.00 0.00 0.00 175.76 175.10 2kgo s PRO 65 N -2.92 3.22 0.01 0.00 0.02 -1.26 -1.54 135.00 132.52 2kgo s PRO 65 Ca 0.66 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2kgo s PRO 65 Cb -0.25 -4.32 -0.07 0.00 0.02 0.00 0.00 34.50 29.88 2kgo s PRO 65 CO 0.30 -2.00 1.71 0.42 -0.33 0.00 0.00 177.00 177.09 2kgo s ILE 66 N 7.80 3.26 0.38 2.83 -1.09 -0.74 -4.85 121.20 128.79 2kgo s ILE 66 Ca 0.94 0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 59.62 2kgo s ILE 66 Cb -0.30 -3.32 -0.09 0.00 -1.58 0.00 0.00 42.46 37.16 2kgo s ILE 66 CO 0.35 -0.03 1.02 -2.16 -1.23 0.00 0.00 174.94 172.89 2kgo s PRO 67 N 3.53 4.27 0.49 2.79 0.04 -1.26 -4.88 135.00 139.97 2kgo s PRO 67 Ca 0.76 1.45 0.33 0.00 0.04 0.00 0.00 61.00 63.59 2kgo s PRO 67 Cb -0.38 -2.58 1.57 0.00 0.04 0.00 0.00 34.50 33.15 2kgo s PRO 67 CO 0.33 -0.04 1.99 -0.56 0.04 0.00 0.00 177.00 178.76 2kgo h GLN 68 N 2.62 0.00 -0.61 4.56 3.07 -1.96 -1.69 115.11 121.10 2kgo h GLN 68 Ca -0.48 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.27 2kgo h GLN 68 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.74 2kgo h GLN 68 CO 0.63 0.00 0.40 0.00 0.09 0.00 0.00 178.83 179.95 2kgo h ALA 69 N 2.05 0.78 -0.04 0.06 0.00 -2.00 -1.81 119.26 118.30 2kgo h ALA 69 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2kgo h ALA 69 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kgo h ALA 69 CO 0.00 0.20 -0.57 0.00 0.00 0.00 0.00 179.25 178.88 2kgo h ARG 70 N 0.82 0.12 -0.14 0.00 2.47 -1.70 -2.41 114.38 113.55 2kgo h ARG 70 Ca 0.23 -0.08 -0.19 0.00 -1.26 0.00 0.00 59.98 58.68 2kgo h ARG 70 Cb -0.09 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2kgo h ARG 70 CO -0.05 0.66 -0.69 0.00 0.56 0.00 0.00 179.97 180.45 2kgo h ARG 71 N 0.09 0.58 0.11 0.04 3.08 -1.33 -0.14 114.38 116.82 2kgo h ARG 71 Ca -0.00 -0.44 -0.28 0.00 0.07 0.00 0.00 59.98 59.32 2kgo h ARG 71 Cb 1.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2kgo h ARG 71 CO 0.08 1.06 -1.38 1.05 -1.07 0.00 0.00 179.97 179.72 2kgo h GLU 72 N 0.41 0.23 -0.29 0.04 4.11 -1.39 -3.28 114.58 114.41 2kgo h GLU 72 Ca -0.02 -0.39 -0.05 0.00 0.07 0.00 0.00 59.36 58.97 2kgo h GLU 72 Cb 1.27 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2kgo h GLU 72 CO 0.13 1.12 -0.01 0.00 0.07 0.00 0.00 179.01 180.32 2kgo h ALA 73 N 0.59 0.39 -3.61 1.06 0.00 -1.47 -3.40 119.26 112.82 2kgo h ALA 73 Ca -0.18 -0.24 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 2kgo h ALA 73 Cb 1.98 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.26 2kgo h ALA 73 CO 0.17 0.15 -0.71 0.42 0.00 0.00 0.00 179.25 179.28 2kgo s ILE 74 N -4.95 2.19 -1.01 0.00 1.01 -0.07 -5.05 121.20 113.32 2kgo s ILE 74 Ca -0.13 -2.38 -0.24 0.00 0.00 0.00 0.00 60.65 57.89 2kgo s ILE 74 Cb 0.08 -2.61 -0.10 0.00 0.01 0.00 0.00 42.46 39.84 2kgo s ILE 74 CO 0.76 -0.63 2.03 -2.16 0.00 0.00 0.00 174.94 174.95 2kgo s PRO 75 N 0.83 2.19 0.00 2.79 0.04 -1.24 -2.40 135.00 137.22 2kgo s PRO 75 Ca 0.12 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2kgo s PRO 75 Cb -0.20 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2kgo s PRO 75 CO -0.08 -4.07 0.00 0.41 0.04 0.00 0.00 177.00 173.30 2kgo n GLY 76 N 6.37 1.21 3.76 0.56 0.00 -1.26 -4.71 105.19 111.13 2kgo n GLY 76 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.50 3.38 0.00 1.61 0.11 -1.01 -4.75 120.40 118.25 2kgo s VAL 77 Ca 0.00 1.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.42 2kgo s VAL 77 Cb 0.00 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2kgo s VAL 77 CO 0.00 0.30 0.49 -2.11 -3.33 0.00 0.00 175.10 170.46 2kgo n ARG 78 N 1.02 0.53 -4.61 1.54 -4.01 -1.26 -2.57 116.66 107.30 2kgo n ARG 78 Ca -0.00 -0.61 -0.27 0.00 -1.04 0.00 0.00 57.85 55.93 2kgo n ARG 78 Cb 0.45 -0.70 -0.17 0.00 -3.04 0.00 0.00 32.46 29.00 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 -0.23 1.70 0.77 2.89 1.43 -1.26 -1.37 118.68 122.60 2kgo s LEU 79 Ca 0.00 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 2kgo s LEU 79 Cb 0.00 -0.96 0.06 0.00 0.03 0.00 0.00 46.19 45.32 2kgo s LEU 79 CO 0.00 0.04 1.14 0.00 0.23 0.00 0.00 176.35 177.75 2kgo h ILE 81 N -0.86 0.42 0.05 0.00 2.10 -1.96 0.29 117.51 117.55 2kgo h ILE 81 Ca -0.45 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 2kgo h ILE 81 Cb 1.26 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2kgo h ILE 81 CO 0.49 0.00 -0.03 0.45 -1.08 0.00 0.00 178.15 177.99 2kgo h HIS 82 N 0.00 -0.07 0.00 2.19 3.86 -2.00 -2.24 115.15 116.89 2kgo h HIS 82 Ca 0.33 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2kgo h HIS 82 Cb 1.53 0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.02 2kgo h HIS 82 CO 0.00 0.55 0.00 0.00 0.86 0.00 0.00 177.93 179.34 2kgo h GLN 84 N 0.00 0.00 -0.82 0.00 -0.00 -0.55 -3.31 115.11 110.43 2kgo h GLN 84 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.76 2kgo h GLN 84 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.96 2kgo h GLN 84 CO 0.00 0.98 0.53 -0.56 0.00 0.00 0.00 178.83 179.78 2kgo h GLN 85 N -1.00 0.69 -0.33 1.69 3.07 -1.48 0.25 115.11 118.01 2kgo h GLN 85 Ca -0.09 -0.04 -0.14 0.00 0.09 0.00 0.00 58.65 58.46 2kgo h GLN 85 Cb 1.07 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.46 2kgo h GLN 85 CO -0.06 0.46 -0.34 1.05 0.09 0.00 0.00 178.83 180.03 2kgo h GLU 86 N 0.72 0.82 0.00 0.06 4.11 -1.75 -3.20 114.58 115.33 2kgo h GLU 86 Ca 0.39 -0.44 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 2kgo h GLU 86 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2kgo h GLU 86 CO -0.15 1.07 -0.32 0.87 0.07 0.00 0.00 179.01 180.55 2kgo h LYS 87 N 0.60 0.00 -0.32 1.06 1.79 -1.18 -3.13 116.57 115.38 2kgo h LYS 87 Ca 0.05 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 2kgo h LYS 87 Cb 0.93 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 2kgo h LYS 87 CO 0.08 0.32 -0.01 0.22 -1.08 0.00 0.00 179.45 178.98 2kgo h ASP 88 N 0.00 0.46 0.49 0.86 3.58 -0.59 -0.09 116.42 121.14 2kgo h ASP 88 Ca -0.00 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.29 2kgo h ASP 88 Cb 1.08 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2kgo h ASP 88 CO 0.04 0.54 -0.35 -0.07 -2.88 0.00 0.00 179.24 176.52 2kgo h LEU 89 N 0.47 0.00 0.00 2.28 3.38 -1.59 -3.08 115.31 116.78 2kgo h LEU 89 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kgo h LEU 89 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kgo h LEU 89 CO 0.01 0.35 -1.05 0.00 0.09 0.00 0.00 178.44 177.85 2kgo n GLN 90 N -3.88 0.47 -2.32 1.13 1.13 -0.58 -4.84 117.38 108.50 2kgo n GLN 90 Ca -0.01 0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.67 2kgo n GLN 90 Cb 0.42 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 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 -3.30 4.25 0.00 -1.09 1.02 -0.15 -4.93 119.74 115.54 2kgo s LYS 91 Ca 0.01 1.81 0.18 0.00 0.02 0.00 0.00 55.97 57.99 2kgo s LYS 91 Cb 0.12 -3.74 1.10 0.00 -0.52 0.00 0.00 37.83 34.79 2kgo s LYS 91 CO 0.79 -0.67 1.70 -0.35 -0.92 0.00 0.00 175.35 175.91 2kgo n PRO 92 N 6.29 0.99 0.00 -1.68 -0.04 -1.26 -4.90 135.00 134.40 2kgo n PRO 92 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2kgo n PRO 92 Cb 0.44 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.79 0.00 -2.74 0.55 0.00 -1.26 -4.95 120.51 111.32 2kgo n ALA 93 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2kgo n ALA 93 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.11 3.48 -0.38 0.00 1.13 -1.26 -5.09 117.35 115.13 2kgo s TYR 94 Ca 0.00 0.40 -0.05 0.00 -1.41 0.00 0.00 57.07 56.01 2kgo s TYR 94 Cb 0.00 -1.90 0.08 0.00 -1.10 0.00 0.00 41.96 39.04 2kgo s TYR 94 CO 0.00 0.39 0.17 0.95 -2.51 0.00 0.00 175.55 174.54 2kgo s THR 95 N -1.82 3.58 -0.37 -3.49 -4.23 -1.26 -4.97 115.64 103.08 2kgo s THR 95 Ca 0.39 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2kgo s THR 95 Cb -0.11 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.78 2kgo s THR 95 CO 0.28 -0.45 1.24 0.61 -0.54 0.00 0.00 174.62 175.76 2kgo n GLY 96 N 4.73 2.67 3.12 3.99 0.00 -1.26 -4.83 105.19 113.61 2kgo n GLY 96 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.46 -0.19 -0.22 1.61 1.13 -1.26 -5.14 117.35 111.82 2kgo s TYR 97 Ca 0.23 0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 56.03 2kgo s TYR 97 Cb 0.18 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 2kgo s TYR 97 CO 0.05 -0.18 1.33 -0.80 -2.51 0.00 0.00 175.55 173.45 2kgo s ASN 98 N -0.29 6.76 -0.13 -0.18 -0.87 -1.26 -5.02 114.94 113.93 2kgo s ASN 98 Ca -0.04 1.50 -0.05 0.00 -1.57 0.00 0.00 52.86 52.70 2kgo s ASN 98 Cb -0.03 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 2kgo s ASN 98 CO 0.01 -0.96 0.03 -0.13 -2.57 0.00 0.00 177.10 173.49 2kgo s ARG 99 N 3.93 3.49 0.51 -0.60 0.52 -1.26 -5.12 118.95 120.42 2kgo s ARG 99 Ca 0.58 -0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.28 2kgo s ARG 99 Cb -0.20 -3.01 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 2kgo s ARG 99 CO 0.20 0.49 0.94 -0.98 0.02 0.00 0.00 175.30 175.98 2kgo s ARG 100 N -0.28 3.85 0.00 3.54 1.70 -1.26 -5.03 118.95 121.47 2kgo s ARG 100 Ca 0.07 0.80 0.00 0.00 -0.47 0.00 0.00 55.73 56.14 2kgo s ARG 100 Cb -0.12 -2.19 0.00 0.00 -0.57 0.00 0.00 34.95 32.07 2kgo s ARG 100 CO 0.02 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 2kgo n GLY 101 N -1.72 4.26 3.78 3.88 0.00 -1.26 -5.11 105.19 109.02 2kgo n GLY 101 Ca 0.05 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 6.63 0.26 1.61 0.15 -1.26 -5.07 113.70 116.03 2kgo s SER 102 Ca 0.00 0.75 -0.20 0.00 0.70 0.00 0.00 55.95 57.20 2kgo s SER 102 Cb 0.00 -2.22 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 2kgo s SER 102 CO 0.00 0.19 0.90 -1.59 1.20 0.00 0.00 173.24 173.94 2kgo s LYS 103 N -0.21 1.68 0.49 5.44 -2.85 -1.26 -5.18 119.74 117.84 2kgo s LYS 103 Ca 0.21 -1.04 -0.06 0.00 -1.00 0.00 0.00 55.97 54.08 2kgo s LYS 103 Cb -0.15 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2kgo s LYS 103 CO 0.09 -0.78 0.81 0.34 0.10 0.00 0.00 175.35 175.91 2kgo s ASP 104 N -3.15 6.28 0.00 0.03 -1.08 -1.26 -5.02 116.67 112.47 2kgo s ASP 104 Ca 0.17 1.00 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 2kgo s ASP 104 Cb -0.04 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 2kgo s ASP 104 CO 0.07 -0.59 0.46 -0.24 0.52 0.00 0.00 175.17 175.38 2kgo n SER 105 N -2.23 0.00 -4.58 -0.34 2.88 -1.26 -5.15 113.62 102.94 2kgo n SER 105 Ca 0.01 -1.09 -0.27 0.00 -1.33 0.00 0.00 58.87 56.20 2kgo n SER 105 Cb 0.55 -0.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2kgo n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kgo s GLN 106 N 0.00 1.90 -0.71 -1.46 -2.07 -1.26 -5.06 119.66 111.00 2kgo s GLN 106 Ca 0.00 -2.01 -0.03 0.00 -1.82 0.00 0.00 55.36 51.50 2kgo s GLN 106 Cb 0.00 -1.69 0.24 0.00 -1.09 0.00 0.00 33.01 30.47 2kgo s GLN 106 CO 0.00 0.05 2.31 1.47 -1.32 0.00 0.00 175.29 177.80 2kgo n LEU 107 N -0.89 7.14 0.00 2.60 -0.00 -1.26 -5.32 117.00 119.28 2kgo n LEU 107 Ca -0.05 -4.56 0.00 0.00 -0.00 0.00 0.00 56.01 51.40 2kgo n LEU 107 Cb 0.65 -1.13 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 2kgo n LEU 107 CO 0.46 1.75 0.20 -2.11 -0.00 0.00 0.00 177.39 177.70