#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 6.33 -3.40 -5.12 0.00 -1.26 -4.59 120.51 112.47 2kgo n ALA 22 Ca 0.00 -3.67 0.02 0.00 0.00 0.00 0.00 53.44 49.78 2kgo n ALA 22 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 19.45 15.96 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 2.82 -0.91 0.00 0.00 1.04 -1.26 -4.98 113.70 110.41 2kgo s SER 23 Ca 0.57 1.00 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2kgo s SER 23 Cb 0.16 1.94 0.00 0.00 0.10 0.00 0.00 66.02 68.21 2kgo s SER 23 CO -0.07 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2kgo n GLY 24 N 5.28 1.89 0.16 7.32 0.00 -0.85 -4.81 105.19 114.19 2kgo n GLY 24 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.78 0.00 1.61 5.08 -1.94 -3.41 115.95 118.07 2kgo h TRP 25 Ca 0.00 -0.44 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 2kgo h TRP 25 Cb 0.00 -0.08 -0.02 0.00 -3.00 0.00 0.00 29.16 26.06 2kgo h TRP 25 CO 0.00 1.28 -0.11 0.00 -1.28 0.00 0.00 178.44 178.33 2kgo n ALA 26 N -2.59 2.15 -3.67 0.11 0.00 -1.26 -5.11 120.51 110.14 2kgo n ALA 26 Ca -0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 2kgo n ALA 26 Cb 0.89 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 2kgo n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgo s ASN 27 N -0.26 0.19 0.19 0.00 2.20 -1.26 -4.99 114.94 111.01 2kgo s ASN 27 Ca 0.01 0.62 0.03 0.00 -0.94 0.00 0.00 52.86 52.57 2kgo s ASN 27 Cb 0.01 0.70 -0.01 0.00 -2.00 0.00 0.00 41.25 39.95 2kgo s ASN 27 CO -0.00 -0.23 0.10 0.47 -2.94 0.00 0.00 177.10 174.50 2kgo n ASP 28 N 5.15 0.55 -0.20 3.54 8.00 -1.26 -2.00 116.55 130.34 2kgo n ASP 28 Ca -0.10 -2.08 -0.08 0.00 0.71 0.00 0.00 54.79 53.24 2kgo n ASP 28 Cb 0.50 0.63 0.05 0.00 -0.02 0.00 0.00 41.12 42.28 2kgo n ASP 28 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2kgo h ASP 29 N 0.89 1.02 0.87 -2.24 2.03 -2.01 0.14 116.42 117.11 2kgo h ASP 29 Ca -0.14 -0.28 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2kgo h ASP 29 Cb 0.60 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2kgo h ASP 29 CO 0.22 1.07 0.00 0.00 -1.03 0.00 0.00 179.24 179.50 2kgo h ALA 30 N 1.04 1.00 0.00 4.15 0.00 -2.01 -2.86 119.26 120.58 2kgo h ALA 30 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.72 2kgo h ALA 30 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2kgo h ALA 30 CO 0.03 0.00 -2.35 0.28 0.00 0.00 0.00 179.25 177.21 2kgo n VAL 31 N -2.58 1.41 -0.00 0.00 0.31 -1.05 -4.43 118.33 111.99 2kgo n VAL 31 Ca 0.02 -0.85 -0.07 0.00 -0.01 0.00 0.00 64.34 63.43 2kgo n VAL 31 Cb 0.26 -0.53 0.12 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.58 0.55 4.52 -0.73 -0.53 -1.64 115.58 118.33 2kgo h ASN 32 Ca -0.53 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.38 2kgo h ASN 32 Cb 2.22 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 40.65 2kgo h ASN 32 CO 0.03 0.91 0.00 1.05 -0.37 0.00 0.00 177.43 179.05 2kgo h GLU 33 N 0.46 0.00 0.00 6.67 4.11 -1.74 -2.31 114.58 121.77 2kgo h GLU 33 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2kgo h GLU 33 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2kgo h GLU 33 CO 0.08 0.00 -0.78 1.96 0.07 0.00 0.00 179.01 180.34 2kgo h GLN 34 N 0.00 0.00 0.00 1.06 1.08 -1.52 -3.25 115.11 112.49 2kgo h GLN 34 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kgo h GLN 34 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2kgo h GLN 34 CO 0.00 0.00 0.00 -0.89 -0.95 0.00 0.00 178.83 176.99 2kgo n ILE 35 N -2.59 0.00 0.13 2.54 5.41 -0.87 -3.69 119.36 120.29 2kgo n ILE 35 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.78 2kgo n ILE 35 Cb 0.52 -0.40 0.07 0.00 -0.71 0.00 0.00 39.64 39.12 2kgo n ILE 35 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2kgo n ASN 36 N -0.88 0.00 0.01 4.38 2.85 -1.23 -3.08 115.26 117.31 2kgo n ASN 36 Ca 0.18 0.25 0.01 0.00 -0.11 0.00 0.00 54.58 54.90 2kgo n ASN 36 Cb 0.08 -0.29 0.03 0.00 1.24 0.00 0.00 39.78 40.85 2kgo n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2kgo n SER 37 N -1.29 0.03 -0.13 1.20 7.64 -1.24 -1.50 113.62 118.34 2kgo n SER 37 Ca 0.01 0.46 -0.08 0.00 1.01 0.00 0.00 58.87 60.27 2kgo n SER 37 Cb 0.02 -0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 1.13 -0.25 0.44 2.02 -1.90 -2.67 112.91 111.67 2kgo h THR 38 Ca 0.00 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 2kgo h THR 38 Cb 0.11 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2kgo h THR 38 CO 0.00 0.13 -0.09 0.40 0.37 0.00 0.00 175.52 176.33 2kgo h ILE 39 N 0.51 1.29 -0.12 3.11 5.03 -1.58 -1.45 117.51 124.31 2kgo h ILE 39 Ca 0.14 -1.13 -0.12 0.00 -0.12 0.00 0.00 64.86 63.63 2kgo h ILE 39 Cb -0.00 1.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.28 2kgo h ILE 39 CO -0.03 0.35 -0.46 1.05 -0.68 0.00 0.00 178.15 178.39 2kgo h GLU 40 N 0.24 0.30 -0.14 2.37 4.11 -1.66 -1.69 114.58 118.11 2kgo h GLU 40 Ca 0.06 -0.16 -0.17 0.00 0.07 0.00 0.00 59.36 59.17 2kgo h GLU 40 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kgo h GLU 40 CO 0.03 0.70 -0.61 0.22 0.07 0.00 0.00 179.01 179.42 2kgo h ASP 41 N 0.24 0.55 -0.57 3.06 3.58 -1.40 -1.09 116.42 120.78 2kgo h ASP 41 Ca 0.02 -0.31 -0.11 0.00 0.42 0.00 0.00 57.03 57.05 2kgo h ASP 41 Cb 0.90 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2kgo h ASP 41 CO 0.07 1.02 -0.06 0.00 -2.88 0.00 0.00 179.24 177.40 2kgo h ALA 42 N 0.98 0.80 -0.04 -0.78 0.00 -0.82 -2.02 119.26 117.38 2kgo h ALA 42 Ca -0.01 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 2kgo h ALA 42 Cb 1.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kgo h ALA 42 CO 0.11 0.67 -0.76 0.82 0.00 0.00 0.00 179.25 180.09 2kgo h ILE 43 N 0.95 1.42 -0.28 0.00 1.08 -1.29 -2.29 117.51 117.09 2kgo h ILE 43 Ca 0.16 -2.29 -0.02 0.00 -0.39 0.00 0.00 64.86 62.33 2kgo h ILE 43 Cb 0.62 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.59 2kgo h ILE 43 CO 0.04 0.68 0.12 0.00 -0.69 0.00 0.00 178.15 178.29 2kgo h ALA 44 N 1.00 0.37 0.00 1.87 0.00 -1.04 -2.75 119.26 118.71 2kgo h ALA 44 Ca -0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2kgo h ALA 44 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kgo h ALA 44 CO 0.12 -0.04 -0.60 0.07 0.00 0.00 0.00 179.25 178.80 2kgo h ARG 45 N 0.31 0.00 0.77 0.00 0.11 -1.44 -2.28 114.38 111.86 2kgo h ARG 45 Ca 0.10 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.14 2kgo h ARG 45 Cb 0.18 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.26 2kgo h ARG 45 CO -0.01 0.60 -0.37 0.00 0.10 0.00 0.00 179.97 180.29 2kgo h ALA 46 N 1.40 -1.04 0.00 0.08 0.00 -1.13 -3.40 119.26 115.16 2kgo h ALA 46 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kgo h ALA 46 Cb 1.26 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kgo h ALA 46 CO 0.08 -0.98 0.00 2.89 0.00 0.00 0.00 179.25 181.23 2kgo n ARG 47 N -5.47 1.31 -1.84 0.00 1.85 -1.08 -5.03 116.66 106.40 2kgo n ARG 47 Ca -0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 2kgo n ARG 47 Cb 0.42 -0.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 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 0.21 0.39 0.08 2.89 0.00 -0.86 -5.01 105.19 102.90 2kgo n GLY 48 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -0.19 -6.87 1.61 4.81 -1.75 -3.45 114.58 108.73 2kgo h GLU 49 Ca 0.00 0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.77 2kgo h GLU 49 Cb 0.86 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2kgo h GLU 49 CO 0.00 -0.13 0.32 0.42 -0.73 0.00 0.00 179.01 178.89 2kgo s ILE 50 N -2.53 4.27 0.41 2.32 -1.09 -1.26 -4.99 121.20 118.32 2kgo s ILE 50 Ca -0.03 1.73 -0.07 0.00 -2.23 0.00 0.00 60.65 60.05 2kgo s ILE 50 Cb 0.00 -3.95 0.10 0.00 -1.58 0.00 0.00 42.46 37.03 2kgo s ILE 50 CO 0.09 0.10 0.46 -0.81 -1.23 0.00 0.00 174.94 173.54 2kgo n PRO 51 N 0.44 -1.13 -2.61 2.79 -0.04 -1.26 -4.27 135.00 128.92 2kgo n PRO 51 Ca 0.02 -0.71 -0.43 0.00 -0.04 0.00 0.00 63.50 62.33 2kgo n PRO 51 Cb 0.51 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 -2.40 3.24 0.00 0.54 5.12 -1.26 -4.71 116.66 117.20 2kgo n ARG 52 Ca 0.06 -3.41 0.00 0.00 -1.93 0.00 0.00 57.85 52.57 2kgo n ARG 52 Cb 0.22 -3.31 0.00 0.00 -1.16 0.00 0.00 32.46 28.21 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 4.75 4.63 0.31 -0.13 0.00 -1.26 -4.93 105.19 108.57 2kgo n GLY 53 Ca 0.45 -0.98 0.16 0.00 0.00 0.00 0.00 46.02 45.65 2kgo n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kgo h GLU 54 N 0.00 0.00 -5.83 1.61 4.39 -1.92 -3.41 114.58 109.42 2kgo h GLU 54 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2kgo h GLU 54 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kgo h GLU 54 CO 0.00 0.00 1.52 -1.13 -1.16 0.00 0.00 179.01 178.24 2kgo n SER 55 N -3.78 2.44 0.19 1.42 3.41 -1.26 -4.37 113.62 111.66 2kgo n SER 55 Ca -0.01 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2kgo n SER 55 Cb 0.17 -1.42 0.28 0.00 -0.26 0.00 0.00 64.21 62.98 2kgo n SER 55 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2kgo h LEU 56 N 15.04 0.00 0.00 1.04 8.10 -1.79 -3.47 115.31 134.23 2kgo h LEU 56 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 2kgo h LEU 56 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 2kgo h LEU 56 CO 1.06 0.00 0.00 0.47 -4.11 0.00 0.00 178.44 175.86 2kgo n ASP 57 N -2.82 0.00 -3.77 0.17 8.00 -1.26 -4.93 116.55 111.94 2kgo n ASP 57 Ca 0.04 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.25 2kgo n ASP 57 Cb 0.48 -0.09 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgo s GLU 58 N 0.00 0.85 -0.08 -1.24 8.01 -1.26 -1.76 118.70 123.22 2kgo s GLU 58 Ca 0.00 -0.98 -0.39 0.00 0.01 0.00 0.00 54.97 53.61 2kgo s GLU 58 Cb 0.00 -2.15 -0.17 0.00 -4.31 0.00 0.00 34.13 27.50 2kgo s GLU 58 CO 0.00 -0.87 1.43 0.00 0.01 0.00 0.00 175.26 175.83 2kgo h GLU 60 N 5.07 0.00 0.00 0.00 4.11 -1.43 0.41 114.58 122.74 2kgo h GLU 60 Ca -0.48 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 2kgo h GLU 60 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2kgo h GLU 60 CO 0.83 0.03 -0.65 0.93 0.07 0.00 0.00 179.01 180.21 2kgo h GLU 61 N 0.00 0.00 0.00 1.06 4.39 -1.90 -3.43 114.58 114.70 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 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kgo h GLU 61 CO 0.00 0.80 -0.22 0.00 -1.16 0.00 0.00 179.01 178.43 2kgo n GLY 63 N -0.17 0.99 3.79 0.00 0.00 0.13 -4.96 105.19 104.97 2kgo n GLY 63 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.31 3.15 -0.27 4.61 0.00 -1.26 -4.50 121.76 121.18 2kgo s ALA 64 Ca 0.00 0.58 -0.38 0.00 0.00 0.00 0.00 51.96 52.16 2kgo s ALA 64 Cb 0.00 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 2kgo s ALA 64 CO 0.00 0.02 1.92 -2.30 0.00 0.00 0.00 175.76 175.40 2kgo n PRO 65 N 0.18 1.30 -2.11 0.00 -0.02 -1.26 -1.59 135.00 131.50 2kgo n PRO 65 Ca 0.04 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2kgo n PRO 65 Cb 0.50 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.87 3.65 0.61 4.25 -1.09 -0.72 -4.71 121.20 128.05 2kgo s ILE 66 Ca 1.01 0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 59.97 2kgo s ILE 66 Cb -0.95 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.16 2kgo s ILE 66 CO 0.58 -0.39 1.11 -2.16 -1.23 0.00 0.00 174.94 172.85 2kgo s PRO 67 N 5.04 3.04 0.53 2.79 0.04 -1.26 -4.76 135.00 140.41 2kgo s PRO 67 Ca 0.73 1.45 0.24 0.00 0.04 0.00 0.00 61.00 63.45 2kgo s PRO 67 Cb -0.23 -1.98 1.46 0.00 0.04 0.00 0.00 34.50 33.80 2kgo s PRO 67 CO 0.31 -1.07 2.14 -0.56 0.04 0.00 0.00 177.00 177.86 2kgo h GLN 68 N 0.47 0.00 -0.53 4.56 -0.00 -1.99 -1.64 115.11 115.98 2kgo h GLN 68 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.15 2kgo h GLN 68 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.71 2kgo h GLN 68 CO 0.55 0.07 0.24 0.00 -0.00 0.00 0.00 178.83 179.69 2kgo h ALA 69 N 1.93 0.69 -0.03 0.06 0.00 -2.00 -2.29 119.26 117.61 2kgo h ALA 69 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2kgo h ALA 69 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kgo h ALA 69 CO 0.01 0.27 -0.69 0.00 0.00 0.00 0.00 179.25 178.84 2kgo h ARG 70 N 0.72 0.16 -0.24 0.00 2.47 -1.71 -2.69 114.38 113.09 2kgo h ARG 70 Ca 0.18 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2kgo h ARG 70 Cb 0.14 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2kgo h ARG 70 CO -0.02 0.79 0.15 0.00 0.56 0.00 0.00 179.97 181.45 2kgo h ARG 71 N 0.11 0.33 0.00 0.04 3.08 -1.01 -1.19 114.38 115.74 2kgo h ARG 71 Ca -0.02 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 2kgo h ARG 71 Cb 1.23 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 2kgo h ARG 71 CO 0.10 0.26 -1.34 1.05 -1.07 0.00 0.00 179.97 178.97 2kgo h GLU 72 N 0.31 0.00 -0.24 0.04 -0.00 -1.49 -3.32 114.58 109.87 2kgo h GLU 72 Ca 0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.30 2kgo h GLU 72 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.76 2kgo h GLU 72 CO -0.02 0.51 -0.41 0.00 -0.00 0.00 0.00 179.01 179.09 2kgo h ALA 73 N 1.20 0.37 -3.65 1.06 0.00 -1.53 -3.42 119.26 113.30 2kgo h ALA 73 Ca -0.16 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 53.64 2kgo h ALA 73 Cb 1.75 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 2kgo h ALA 73 CO 0.07 0.49 -0.73 0.42 0.00 0.00 0.00 179.25 179.50 2kgo s ILE 74 N -4.13 2.10 -0.82 0.00 1.01 -0.45 -5.07 121.20 113.84 2kgo s ILE 74 Ca -0.12 -2.15 -0.25 0.00 0.00 0.00 0.00 60.65 58.13 2kgo s ILE 74 Cb 0.08 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2kgo s ILE 74 CO 0.85 -0.54 1.93 -2.16 0.00 0.00 0.00 174.94 175.02 2kgo s PRO 75 N 1.01 2.56 0.00 2.79 0.04 -1.26 -2.26 135.00 137.88 2kgo s PRO 75 Ca 0.09 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2kgo s PRO 75 Cb -0.19 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.47 2kgo s PRO 75 CO -0.09 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.13 2kgo n GLY 76 N 6.55 1.63 3.74 0.56 0.00 -1.26 -4.88 105.19 111.53 2kgo n GLY 76 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 2.66 0.00 1.61 0.11 -0.96 -4.84 120.40 116.99 2kgo s VAL 77 Ca 0.00 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2kgo s VAL 77 Cb 0.00 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 2kgo s VAL 77 CO 0.00 0.08 0.60 -2.11 -3.33 0.00 0.00 175.10 170.34 2kgo n ARG 78 N 2.70 0.87 -4.27 1.54 -4.01 -1.26 -3.55 116.66 108.68 2kgo n ARG 78 Ca 0.08 -0.78 -0.28 0.00 -1.04 0.00 0.00 57.85 55.84 2kgo n ARG 78 Cb 0.40 -0.78 -0.17 0.00 -3.04 0.00 0.00 32.46 28.87 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 -0.36 1.57 0.84 2.89 1.43 -1.26 -1.01 118.68 122.78 2kgo s LEU 79 Ca 0.00 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2kgo s LEU 79 Cb 0.00 -1.00 0.10 0.00 0.03 0.00 0.00 46.19 45.32 2kgo s LEU 79 CO 0.00 -0.03 1.12 0.00 0.23 0.00 0.00 176.35 177.68 2kgo h ILE 81 N -1.46 0.40 -0.01 0.00 2.10 -1.96 0.26 117.51 116.85 2kgo h ILE 81 Ca -0.43 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.47 2kgo h ILE 81 Cb 1.25 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2kgo h ILE 81 CO 0.46 0.00 -0.12 0.45 -1.08 0.00 0.00 178.15 177.86 2kgo h HIS 82 N 0.00 0.14 0.00 2.19 3.86 -1.97 -2.54 115.15 116.83 2kgo h HIS 82 Ca 0.32 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2kgo h HIS 82 Cb 1.54 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.99 2kgo h HIS 82 CO 0.00 0.83 0.00 0.00 0.86 0.00 0.00 177.93 179.62 2kgo h GLN 84 N 0.00 0.35 -0.40 0.00 -0.00 -0.64 -3.20 115.11 111.23 2kgo h GLN 84 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 58.65 58.05 2kgo h GLN 84 Cb 0.84 0.23 -0.02 0.00 0.00 0.00 0.00 27.48 28.52 2kgo h GLN 84 CO 0.00 1.29 0.26 -0.56 0.00 0.00 0.00 178.83 179.82 2kgo h GLN 85 N -0.16 0.52 0.03 1.69 3.07 -1.55 0.19 115.11 118.90 2kgo h GLN 85 Ca -0.25 -0.03 -0.25 0.00 0.09 0.00 0.00 58.65 58.21 2kgo h GLN 85 Cb 1.87 -0.12 0.02 0.00 0.08 0.00 0.00 27.48 29.33 2kgo h GLN 85 CO 0.16 0.35 -1.00 1.05 0.09 0.00 0.00 178.83 179.48 2kgo h GLU 86 N 0.54 0.62 0.00 0.06 4.11 -1.70 -3.29 114.58 114.91 2kgo h GLU 86 Ca 0.14 -0.71 -0.04 0.00 0.07 0.00 0.00 59.36 58.83 2kgo h GLU 86 Cb -0.05 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kgo h GLU 86 CO -0.03 1.30 -0.18 0.87 0.07 0.00 0.00 179.01 181.04 2kgo h LYS 87 N 0.25 0.00 -0.15 1.06 1.79 -1.39 -2.78 116.57 115.35 2kgo h LYS 87 Ca -0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2kgo h LYS 87 Cb 1.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 2kgo h LYS 87 CO 0.19 0.18 0.05 0.22 -1.08 0.00 0.00 179.45 179.01 2kgo h ASP 88 N 0.00 0.18 1.45 0.86 3.58 -0.72 -2.01 116.42 119.77 2kgo h ASP 88 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kgo h ASP 88 Cb 0.86 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kgo h ASP 88 CO 0.02 0.18 -0.11 -0.07 -2.88 0.00 0.00 179.24 176.39 2kgo h LEU 89 N 0.21 0.00 -1.66 2.28 3.38 -1.59 -3.26 115.31 114.66 2kgo h LEU 89 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kgo h LEU 89 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kgo h LEU 89 CO -0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2kgo n GLN 90 N -2.37 2.13 -1.67 1.13 1.13 -0.76 -4.95 117.38 112.01 2kgo n GLN 90 Ca 0.05 -1.66 -0.46 0.00 -1.94 0.00 0.00 57.00 52.99 2kgo n GLN 90 Cb 0.45 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.29 2kgo n GLN 90 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kgo n LYS 91 N 0.96 2.44 0.16 -1.09 5.02 -1.18 -4.91 118.16 119.56 2kgo n LYS 91 Ca 0.17 0.89 0.01 0.00 -2.02 0.00 0.00 58.31 57.36 2kgo n LYS 91 Cb 0.51 -2.78 0.26 0.00 -0.02 0.00 0.00 35.03 33.00 2kgo n LYS 91 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2kgo h PRO 92 N 9.60 0.00 0.00 1.97 0.13 -1.94 -3.47 132.00 138.29 2kgo h PRO 92 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kgo h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kgo h PRO 92 CO 0.94 0.50 0.00 0.00 -0.23 0.00 0.00 178.00 179.21 2kgo n ALA 93 N -2.41 0.00 -2.35 -0.56 0.00 -1.26 -4.97 120.51 108.95 2kgo n ALA 93 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2kgo n ALA 93 Cb 0.53 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.66 0.31 -0.42 0.00 1.13 -1.26 -5.13 117.35 110.33 2kgo s TYR 94 Ca 0.00 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 54.90 2kgo s TYR 94 Cb 0.00 -0.21 0.11 0.00 -1.10 0.00 0.00 41.96 40.77 2kgo s TYR 94 CO 0.00 -0.47 0.15 0.95 -2.51 0.00 0.00 175.55 173.67 2kgo s THR 95 N -3.86 2.46 -0.40 -3.49 -4.23 -1.26 -5.01 115.64 99.85 2kgo s THR 95 Ca 0.06 -2.76 0.08 0.00 -1.18 0.00 0.00 61.69 57.89 2kgo s THR 95 Cb 0.06 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.40 2kgo s THR 95 CO -0.10 -0.69 0.54 0.61 -0.54 0.00 0.00 174.62 174.44 2kgo n GLY 96 N 3.77 2.98 3.22 3.99 0.00 -1.26 -5.09 105.19 112.80 2kgo n GLY 96 Ca 0.04 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.31 -0.35 -0.26 1.61 1.13 -1.26 -5.15 117.35 111.76 2kgo s TYR 97 Ca 0.36 0.85 -0.20 0.00 -1.41 0.00 0.00 57.07 56.66 2kgo s TYR 97 Cb 0.18 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2kgo s TYR 97 CO -0.10 -0.19 0.63 -0.80 -2.51 0.00 0.00 175.55 172.58 2kgo s ASN 98 N 0.08 6.57 0.41 -0.18 -0.87 -1.26 -5.06 114.94 114.63 2kgo s ASN 98 Ca -0.01 0.67 0.03 0.00 -1.57 0.00 0.00 52.86 51.98 2kgo s ASN 98 Cb -0.02 -2.34 0.03 0.00 -0.02 0.00 0.00 41.25 38.90 2kgo s ASN 98 CO 0.01 -0.39 0.25 0.54 -2.57 0.00 0.00 177.10 174.94 2kgo n ARG 99 N 5.75 0.91 -3.67 -0.60 1.74 -1.26 -5.17 116.66 114.36 2kgo n ARG 99 Ca -0.00 -2.66 -0.10 0.00 -0.77 0.00 0.00 57.85 54.32 2kgo n ARG 99 Cb 0.49 0.37 -0.09 0.00 -1.02 0.00 0.00 32.46 32.21 2kgo n ARG 99 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2kgo s ARG 100 N -3.66 0.59 -1.13 5.56 3.52 -1.26 -5.09 118.95 117.48 2kgo s ARG 100 Ca 0.19 0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 56.51 2kgo s ARG 100 Cb -0.02 0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.41 2kgo s ARG 100 CO 0.12 -0.13 1.93 0.41 -0.81 0.00 0.00 175.30 176.82 2kgo n GLY 101 N 3.84 1.19 3.06 8.12 0.00 -1.26 -4.85 105.19 115.29 2kgo n GLY 101 Ca -0.19 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 6.30 5.00 -0.25 1.61 0.15 -1.26 -5.02 113.70 120.24 2kgo s SER 102 Ca 0.67 -2.89 -0.02 0.00 0.70 0.00 0.00 55.95 54.41 2kgo s SER 102 Cb 0.01 -1.80 0.13 0.00 -1.71 0.00 0.00 66.02 62.65 2kgo s SER 102 CO 0.14 -0.33 0.33 -0.75 1.20 0.00 0.00 173.24 173.82 2kgo s LYS 103 N -0.11 0.32 -0.28 5.44 2.36 -1.26 -5.10 119.74 121.10 2kgo s LYS 103 Ca 0.17 0.28 -0.03 0.00 -2.55 0.00 0.00 55.97 53.84 2kgo s LYS 103 Cb -0.22 -0.65 0.11 0.00 -1.05 0.00 0.00 37.83 36.02 2kgo s LYS 103 CO -0.03 -0.77 0.18 0.34 1.55 0.00 0.00 175.35 176.62 2kgo s ASP 104 N 2.46 2.89 -0.41 1.43 2.15 -1.26 -5.08 116.67 118.85 2kgo s ASP 104 Ca 0.10 -1.07 0.06 0.00 0.43 0.00 0.00 52.55 52.08 2kgo s ASP 104 Cb -0.15 -0.09 0.17 0.00 -0.30 0.00 0.00 42.92 42.56 2kgo s ASP 104 CO -0.20 -0.42 0.55 -0.55 -0.17 0.00 0.00 175.17 174.38 2kgo s SER 105 N 2.18 -0.53 -0.27 -0.34 0.15 -1.26 -5.12 113.70 108.51 2kgo s SER 105 Ca 0.09 -1.28 -0.08 0.00 0.70 0.00 0.00 55.95 55.38 2kgo s SER 105 Cb -0.15 1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 65.54 2kgo s SER 105 CO -0.33 -0.18 0.09 -1.10 1.20 0.00 0.00 173.24 172.92 2kgo s GLN 106 N 1.49 3.52 0.35 5.44 -0.21 -1.26 -4.96 119.66 124.04 2kgo s GLN 106 Ca 0.19 -0.57 0.27 0.00 0.02 0.00 0.00 55.36 55.26 2kgo s GLN 106 Cb -0.07 -3.39 1.15 0.00 1.00 0.00 0.00 33.01 31.70 2kgo s GLN 106 CO -0.06 -0.27 1.80 1.37 -2.12 0.00 0.00 175.29 176.02 2kgo h LEU 107 N 8.26 0.00 -1.88 2.90 -0.00 -2.08 -3.58 115.31 118.93 2kgo h LEU 107 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2kgo h LEU 107 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2kgo h LEU 107 CO 0.59 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 179.57