#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 2.80 -0.28 -5.12 0.00 -1.26 -4.94 121.76 112.97 2kgo s ALA 22 Ca 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2kgo s ALA 22 Cb 0.00 -4.23 0.15 0.00 0.00 0.00 0.00 23.12 19.04 2kgo s ALA 22 CO 0.00 -3.24 0.38 0.45 0.00 0.00 0.00 175.76 173.35 2kgo s SER 23 N 3.84 0.58 0.00 0.00 0.15 -1.26 -4.89 113.70 112.12 2kgo s SER 23 Ca 0.34 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2kgo s SER 23 Cb -0.08 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2kgo s SER 23 CO 0.12 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2kgo n GLY 24 N 5.35 0.98 0.23 9.45 0.00 -1.26 -4.97 105.19 114.97 2kgo n GLY 24 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.43 0.00 1.61 5.08 -1.97 -3.29 115.95 117.81 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 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.06 2kgo h TRP 25 CO 0.00 0.14 0.00 0.00 -1.28 0.00 0.00 178.44 177.30 2kgo n ALA 26 N -2.43 0.80 -2.59 0.11 0.00 -1.26 -4.95 120.51 110.20 2kgo n ALA 26 Ca 0.07 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2kgo n ALA 26 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.02 4.97 -4.02 0.00 4.13 -1.24 -4.83 115.26 114.24 2kgo n ASN 27 Ca 0.00 -2.97 -0.11 0.00 1.68 0.00 0.00 54.58 53.17 2kgo n ASN 27 Cb 0.22 -1.61 -0.08 0.00 -1.54 0.00 0.00 39.78 36.77 2kgo n ASN 27 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kgo s ASP 28 N 2.85 0.18 -0.02 6.41 2.15 -1.26 -4.14 116.67 122.84 2kgo s ASP 28 Ca 0.46 -1.24 -0.20 0.00 0.43 0.00 0.00 52.55 52.00 2kgo s ASP 28 Cb 0.03 0.49 -0.31 0.00 -0.30 0.00 0.00 42.92 42.83 2kgo s ASP 28 CO 0.01 -1.00 0.97 -0.78 -0.17 0.00 0.00 175.17 174.20 2kgo h ASP 29 N 2.42 0.59 0.00 -0.34 3.58 -1.98 -3.28 116.42 117.41 2kgo h ASP 29 Ca -0.31 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.23 2kgo h ASP 29 Cb 1.25 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2kgo h ASP 29 CO 0.45 1.44 0.00 0.00 -2.88 0.00 0.00 179.24 178.25 2kgo n ALA 30 N -2.67 2.52 -0.01 -0.78 0.00 -1.26 -2.73 120.51 115.59 2kgo n ALA 30 Ca -0.14 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 2kgo n ALA 30 Cb 0.86 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 2kgo n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgo h VAL 31 N 0.00 0.84 0.00 0.00 2.07 -1.88 -1.00 116.25 116.28 2kgo h VAL 31 Ca 0.00 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.84 2kgo h VAL 31 Cb 0.00 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2kgo h VAL 31 CO 0.00 0.61 -0.13 -1.13 0.02 0.00 0.00 177.57 176.94 2kgo h ASN 32 N 0.02 0.00 1.00 0.57 -1.24 -1.68 -2.62 115.58 111.63 2kgo h ASN 32 Ca -0.30 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.64 2kgo h ASN 32 Cb 2.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.05 2kgo h ASN 32 CO 0.09 0.13 -1.04 -0.33 -1.29 0.00 0.00 177.43 174.99 2kgo h GLU 33 N 0.00 0.00 -0.45 6.67 4.39 -1.63 0.10 114.58 123.66 2kgo h GLU 33 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2kgo h GLU 33 Cb 0.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2kgo h GLU 33 CO 0.02 0.13 -0.09 0.37 -1.16 0.00 0.00 179.01 178.28 2kgo h GLN 34 N 0.00 0.80 0.00 2.33 5.75 -0.82 -3.36 115.11 119.81 2kgo h GLN 34 Ca -0.06 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2kgo h GLN 34 Cb 1.22 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.70 2kgo h GLN 34 CO 0.02 0.86 0.00 -0.89 -2.65 0.00 0.00 178.83 176.17 2kgo n ILE 35 N -4.17 0.00 -2.01 2.39 5.41 -1.03 -4.97 119.36 114.99 2kgo n ILE 35 Ca 0.02 0.23 -0.19 0.00 1.00 0.00 0.00 62.75 63.81 2kgo n ILE 35 Cb 0.35 -0.76 -0.04 0.00 -0.71 0.00 0.00 39.64 38.48 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 -1.29 -5.18 0.00 4.38 2.85 0.35 -4.86 115.26 111.51 2kgo n ASN 36 Ca 0.00 0.24 0.10 0.00 -0.11 0.00 0.00 54.58 54.80 2kgo n ASN 36 Cb 0.00 -4.46 0.52 0.00 1.24 0.00 0.00 39.78 37.08 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 -1.57 0.00 0.23 1.20 7.64 -1.26 -3.04 113.62 116.82 2kgo n SER 37 Ca -0.21 -0.09 0.06 0.00 1.01 0.00 0.00 58.87 59.65 2kgo n SER 37 Cb 0.64 -0.24 0.56 0.00 -1.01 0.00 0.00 64.21 64.16 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 1.07 -0.12 0.44 2.02 -1.95 -1.97 112.91 112.40 2kgo h THR 38 Ca 0.00 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 2kgo h THR 38 Cb 0.16 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2kgo h THR 38 CO 0.00 0.09 -0.56 0.40 0.37 0.00 0.00 175.52 175.83 2kgo h ILE 39 N 0.03 1.35 0.00 3.11 1.08 -1.95 -1.63 117.51 119.50 2kgo h ILE 39 Ca 0.01 -1.85 -0.16 0.00 -0.39 0.00 0.00 64.86 62.46 2kgo h ILE 39 Cb 0.15 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 2kgo h ILE 39 CO 0.01 0.56 -0.81 1.05 -0.69 0.00 0.00 178.15 178.27 2kgo h GLU 40 N 0.27 0.00 -0.55 2.37 4.11 -1.63 -2.65 114.58 116.50 2kgo h GLU 40 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 2kgo h GLU 40 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2kgo h GLU 40 CO 0.09 0.74 -0.02 -0.44 0.07 0.00 0.00 179.01 179.45 2kgo h ASP 41 N 0.00 0.95 -0.83 3.06 3.32 -1.26 -0.63 116.42 121.03 2kgo h ASP 41 Ca -0.02 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2kgo h ASP 41 Cb 1.60 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.86 2kgo h ASP 41 CO 0.10 1.01 0.44 0.00 -1.72 0.00 0.00 179.24 179.08 2kgo h ALA 42 N 1.08 1.06 -0.14 3.45 0.00 -1.16 -1.97 119.26 121.58 2kgo h ALA 42 Ca 0.16 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2kgo h ALA 42 Cb 0.55 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kgo h ALA 42 CO 0.03 0.58 -0.63 0.82 0.00 0.00 0.00 179.25 180.05 2kgo h ILE 43 N 1.16 1.34 -0.13 0.00 1.08 -1.36 -1.18 117.51 118.42 2kgo h ILE 43 Ca 0.29 -1.94 -0.06 0.00 -0.39 0.00 0.00 64.86 62.76 2kgo h ILE 43 Cb 0.05 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 2kgo h ILE 43 CO -0.05 0.59 -0.21 0.00 -0.69 0.00 0.00 178.15 177.80 2kgo h ALA 44 N 0.93 1.42 0.00 1.87 0.00 -0.77 -2.22 119.26 120.49 2kgo h ALA 44 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kgo h ALA 44 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kgo h ALA 44 CO 0.12 0.41 -1.15 2.89 0.00 0.00 0.00 179.25 181.52 2kgo n ARG 45 N -4.21 0.47 0.12 0.00 1.85 -0.77 -2.62 116.66 111.49 2kgo n ARG 45 Ca -0.01 0.02 -0.12 0.00 -1.00 0.00 0.00 57.85 56.74 2kgo n ARG 45 Cb 0.32 -1.68 -0.08 0.00 -1.05 0.00 0.00 32.46 29.98 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kgo h ALA 46 N 2.25 -0.34 0.00 2.89 0.00 -0.64 -3.41 119.26 120.01 2kgo h ALA 46 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kgo h ALA 46 Cb 0.88 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kgo h ALA 46 CO 0.00 -0.45 0.00 2.89 0.00 0.00 0.00 179.25 181.69 2kgo n ARG 47 N -5.04 0.27 -2.58 0.00 1.85 -0.90 -5.03 116.66 105.24 2kgo n ARG 47 Ca -0.09 -0.51 -0.16 0.00 -1.00 0.00 0.00 57.85 56.09 2kgo n ARG 47 Cb 0.26 -0.56 0.01 0.00 -1.05 0.00 0.00 32.46 31.12 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 -0.05 -0.24 0.06 2.89 0.00 -1.08 -4.96 105.19 101.81 2kgo n GLY 48 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.55 -0.03 -6.50 1.61 4.81 -1.75 -3.46 114.58 108.72 2kgo h GLU 49 Ca -0.39 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.31 2kgo h GLU 49 Cb 1.27 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.67 2kgo h GLU 49 CO 0.43 -0.02 0.69 0.42 -0.73 0.00 0.00 179.01 179.80 2kgo s ILE 50 N -1.61 3.61 0.95 2.32 -1.09 -1.26 -5.00 121.20 119.12 2kgo s ILE 50 Ca -0.00 1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 59.43 2kgo s ILE 50 Cb 0.00 -3.73 0.16 0.00 -1.58 0.00 0.00 42.46 37.32 2kgo s ILE 50 CO 0.01 0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 172.72 2kgo s PRO 51 N 1.30 0.78 -0.15 2.79 0.04 -1.26 -4.64 135.00 133.87 2kgo s PRO 51 Ca 0.62 0.70 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2kgo s PRO 51 Cb -0.33 -1.76 0.37 0.00 0.04 0.00 0.00 34.50 32.81 2kgo s PRO 51 CO 0.29 -2.54 1.21 0.54 0.04 0.00 0.00 177.00 176.54 2kgo n ARG 52 N -4.07 2.45 -0.06 4.56 1.74 -1.26 -4.79 116.66 115.23 2kgo n ARG 52 Ca 0.06 -1.48 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 2kgo n ARG 52 Cb 0.56 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.11 0.73 1.98 -0.13 0.00 -1.26 -5.16 105.19 101.45 2kgo n GLY 53 Ca 0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.03 0.44 -2.08 1.61 0.28 -1.26 -4.76 120.64 114.84 2kgo n GLU 54 Ca 0.00 -1.58 -0.35 0.00 -0.16 0.00 0.00 57.16 55.07 2kgo n GLU 54 Cb 0.01 1.57 0.02 0.00 1.43 0.00 0.00 31.44 34.47 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 -2.25 5.38 0.37 -1.84 1.04 -1.24 -4.40 113.70 110.76 2kgo s SER 55 Ca 0.16 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.84 2kgo s SER 55 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2kgo s SER 55 CO 0.11 -1.45 0.00 0.00 0.98 0.00 0.00 173.24 172.89 2kgo n LEU 56 N -1.59 0.00 -0.00 2.42 -0.00 -1.18 -4.93 117.00 111.71 2kgo n LEU 56 Ca 0.12 -2.30 0.08 0.00 -0.00 0.00 0.00 56.01 53.92 2kgo n LEU 56 Cb 0.50 0.25 -0.10 0.00 -0.00 0.00 0.00 43.42 44.08 2kgo n LEU 56 CO 0.44 -0.33 -0.08 0.47 -0.00 0.00 0.00 177.39 177.89 2kgo n ASP 57 N -1.23 0.83 -3.58 1.45 9.92 -1.26 -4.75 116.55 117.93 2kgo n ASP 57 Ca -0.15 -0.87 -0.24 0.00 -0.53 0.00 0.00 54.79 53.01 2kgo n ASP 57 Cb 0.46 1.05 -0.16 0.00 -0.64 0.00 0.00 41.12 41.83 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgo s GLU 58 N -2.69 0.09 -0.13 -1.24 2.02 -1.26 -1.89 118.70 113.60 2kgo s GLU 58 Ca 0.06 0.01 -0.38 0.00 0.02 0.00 0.00 54.97 54.68 2kgo s GLU 58 Cb 0.13 -1.64 -0.15 0.00 0.10 0.00 0.00 34.13 32.57 2kgo s GLU 58 CO 0.72 -0.66 1.65 0.00 0.02 0.00 0.00 175.26 177.00 2kgo n GLU 60 N 4.73 0.02 -0.11 0.00 0.28 -0.46 -0.45 120.64 124.66 2kgo n GLU 60 Ca 0.23 0.27 -0.23 0.00 -0.16 0.00 0.00 57.16 57.27 2kgo n GLU 60 Cb 0.18 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.44 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 -1.47 0.58 -0.27 3.44 -0.58 -1.26 -4.76 120.64 116.31 2kgo n GLU 61 Ca 0.03 0.51 0.01 0.00 -0.42 0.00 0.00 57.16 57.30 2kgo n GLU 61 Cb 0.14 -1.70 0.01 0.00 -0.57 0.00 0.00 31.44 29.31 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 -0.15 0.94 3.76 0.00 0.00 0.40 -4.94 105.19 105.20 2kgo n GLY 63 Ca 0.01 0.00 -0.40 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 -1.77 3.41 -0.09 4.61 0.00 -1.26 -4.40 121.76 122.26 2kgo s ALA 64 Ca 0.00 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 2kgo s ALA 64 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2kgo s ALA 64 CO 0.00 -0.21 2.02 -1.25 0.00 0.00 0.00 175.76 176.32 2kgo s PRO 65 N -1.50 3.71 -0.07 0.00 0.04 -1.26 -1.91 135.00 134.00 2kgo s PRO 65 Ca 0.45 2.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 2kgo s PRO 65 Cb -0.33 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.94 2kgo s PRO 65 CO 0.42 -1.44 1.49 0.42 0.04 0.00 0.00 177.00 177.93 2kgo s ILE 66 N 6.04 3.80 0.60 0.56 -1.09 -0.79 -4.84 121.20 125.48 2kgo s ILE 66 Ca 0.91 1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 60.25 2kgo s ILE 66 Cb -0.37 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2kgo s ILE 66 CO 0.37 -0.07 0.98 -2.16 -1.23 0.00 0.00 174.94 172.83 2kgo s PRO 67 N 3.55 3.50 0.61 2.79 0.04 -1.26 -4.87 135.00 139.35 2kgo s PRO 67 Ca 0.66 0.59 0.34 0.00 0.04 0.00 0.00 61.00 62.63 2kgo s PRO 67 Cb -0.30 -2.14 1.96 0.00 0.04 0.00 0.00 34.50 34.06 2kgo s PRO 67 CO 0.25 -0.54 2.27 -0.56 0.04 0.00 0.00 177.00 178.45 2kgo h GLN 68 N -0.24 0.00 -0.42 4.56 -0.00 -1.97 -2.76 115.11 114.28 2kgo h GLN 68 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.17 2kgo h GLN 68 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.66 2kgo h GLN 68 CO 0.62 0.01 0.14 0.00 -0.00 0.00 0.00 178.83 179.60 2kgo h ALA 69 N 1.99 0.54 -0.02 0.06 0.00 -1.99 -0.86 119.26 118.98 2kgo h ALA 69 Ca -0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 2kgo h ALA 69 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kgo h ALA 69 CO 0.00 0.18 -0.69 0.00 0.00 0.00 0.00 179.25 178.75 2kgo h ARG 70 N 0.53 0.11 -0.09 0.00 2.47 -1.87 -2.04 114.38 113.49 2kgo h ARG 70 Ca 0.14 -0.09 -0.15 0.00 -1.26 0.00 0.00 59.98 58.62 2kgo h ARG 70 Cb 0.24 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2kgo h ARG 70 CO -0.01 0.75 -0.60 0.00 0.56 0.00 0.00 179.97 180.68 2kgo h ARG 71 N 0.07 0.30 0.00 0.04 3.08 -1.36 0.07 114.38 116.58 2kgo h ARG 71 Ca -0.01 -0.20 -0.26 0.00 0.07 0.00 0.00 59.98 59.57 2kgo h ARG 71 Cb 1.22 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 2kgo h ARG 71 CO 0.10 0.81 -1.58 1.05 -1.07 0.00 0.00 179.97 179.28 2kgo h GLU 72 N 0.22 0.00 -0.43 0.04 -0.00 -1.20 -3.19 114.58 110.02 2kgo h GLU 72 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 2kgo h GLU 72 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.85 2kgo h GLU 72 CO 0.10 0.50 -0.03 0.00 -0.00 0.00 0.00 179.01 179.57 2kgo h ALA 73 N 1.08 0.58 -3.23 1.06 0.00 -1.39 -3.42 119.26 113.94 2kgo h ALA 73 Ca -0.24 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 2kgo h ALA 73 Cb 1.91 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 19.14 2kgo h ALA 73 CO 0.08 0.40 -0.76 0.42 0.00 0.00 0.00 179.25 179.38 2kgo s ILE 74 N -4.94 0.54 0.00 0.00 1.01 0.01 -5.04 121.20 112.79 2kgo s ILE 74 Ca -0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2kgo s ILE 74 Cb 0.11 -1.11 -0.13 0.00 0.01 0.00 0.00 42.46 41.33 2kgo s ILE 74 CO 0.81 -0.30 2.69 -0.81 0.00 0.00 0.00 174.94 177.33 2kgo n PRO 75 N 5.03 1.43 0.00 2.79 -0.04 -1.21 -3.06 135.00 139.94 2kgo n PRO 75 Ca -0.08 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 2kgo n PRO 75 Cb 0.46 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.05 0.00 3.74 0.55 0.00 -1.26 -3.73 105.19 106.54 2kgo n GLY 76 Ca 0.21 0.00 -0.41 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 0.00 4.58 0.00 1.61 0.11 -1.17 -4.76 120.40 120.76 2kgo s VAL 77 Ca 0.00 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 2kgo s VAL 77 Cb 0.00 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 2kgo s VAL 77 CO 0.00 0.35 0.73 -2.11 -3.33 0.00 0.00 175.10 170.73 2kgo n ARG 78 N 2.73 1.23 -4.99 1.54 -4.01 -1.26 -3.11 116.66 108.78 2kgo n ARG 78 Ca 0.00 -0.99 -0.28 0.00 -1.04 0.00 0.00 57.85 55.55 2kgo n ARG 78 Cb 0.49 -0.92 -0.16 0.00 -3.04 0.00 0.00 32.46 28.83 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 -0.52 1.99 0.79 2.89 1.43 -1.26 -1.35 118.68 122.65 2kgo s LEU 79 Ca 0.00 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2kgo s LEU 79 Cb 0.00 -1.10 0.07 0.00 0.03 0.00 0.00 46.19 45.19 2kgo s LEU 79 CO 0.00 0.20 1.11 0.00 0.23 0.00 0.00 176.35 177.89 2kgo h ILE 81 N -1.16 0.52 0.12 0.00 2.10 -1.94 0.33 117.51 117.48 2kgo h ILE 81 Ca -0.44 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 2kgo h ILE 81 Cb 1.24 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2kgo h ILE 81 CO 0.49 0.00 -0.06 0.45 -1.08 0.00 0.00 178.15 177.96 2kgo h HIS 82 N 0.02 -0.15 0.00 2.19 3.86 -1.99 -1.97 115.15 117.11 2kgo h HIS 82 Ca 0.46 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2kgo h HIS 82 Cb 1.82 0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.33 2kgo h HIS 82 CO -0.00 0.34 0.00 0.00 0.86 0.00 0.00 177.93 179.12 2kgo h GLN 84 N 0.00 0.00 -0.67 0.00 -0.00 -0.46 -3.32 115.11 110.67 2kgo h GLN 84 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 2kgo h GLN 84 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.09 2kgo h GLN 84 CO 0.00 0.83 0.44 -0.56 0.00 0.00 0.00 178.83 179.54 2kgo h GLN 85 N -1.00 0.67 -0.05 1.69 3.07 -1.45 0.36 115.11 118.40 2kgo h GLN 85 Ca -0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 2kgo h GLN 85 Cb 0.95 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.36 2kgo h GLN 85 CO -0.06 0.44 0.00 1.05 0.09 0.00 0.00 178.83 180.36 2kgo h GLU 86 N 0.69 0.08 0.00 0.06 4.11 -1.75 -3.16 114.58 114.61 2kgo h GLU 86 Ca 0.29 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.66 2kgo h GLU 86 Cb 0.25 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kgo h GLU 86 CO -0.09 0.34 -0.16 0.87 0.07 0.00 0.00 179.01 180.04 2kgo h LYS 87 N -0.19 0.00 -0.08 1.06 1.79 -1.31 -3.08 116.57 114.77 2kgo h LYS 87 Ca 0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 2kgo h LYS 87 Cb 0.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2kgo h LYS 87 CO 0.00 0.16 -0.32 0.22 -1.08 0.00 0.00 179.45 178.43 2kgo h ASP 88 N 0.00 0.15 1.49 0.86 3.58 -0.31 -2.38 116.42 119.81 2kgo h ASP 88 Ca -0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kgo h ASP 88 Cb 0.74 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2kgo h ASP 88 CO 0.02 0.47 0.00 -0.07 -2.88 0.00 0.00 179.24 176.78 2kgo h LEU 89 N 0.14 0.00 -3.13 2.28 3.38 -1.53 -3.32 115.31 113.12 2kgo h LEU 89 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kgo h LEU 89 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2kgo h LEU 89 CO 0.05 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.59 2kgo n GLN 90 N -2.41 4.20 -1.67 1.13 1.13 -0.90 -4.95 117.38 113.92 2kgo n GLN 90 Ca 0.05 -2.61 -0.46 0.00 -1.94 0.00 0.00 57.00 52.04 2kgo n GLN 90 Cb 0.43 -2.14 -0.04 0.00 0.11 0.00 0.00 30.24 28.60 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 0.49 2.42 0.20 -1.09 4.76 -1.25 -4.90 118.16 118.78 2kgo n LYS 91 Ca 0.24 0.88 0.08 0.00 -2.87 0.00 0.00 58.31 56.64 2kgo n LYS 91 Cb 1.05 -2.79 0.28 0.00 -1.84 0.00 0.00 35.03 31.73 2kgo n LYS 91 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2kgo h PRO 92 N 9.89 0.00 0.00 1.97 0.13 -1.96 -3.47 132.00 138.55 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 0.95 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 179.00 2kgo n ALA 93 N -2.20 0.00 -3.94 -0.56 0.00 -1.26 -4.96 120.51 107.59 2kgo n ALA 93 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2kgo n ALA 93 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 2kgo n ALA 93 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kgo n TYR 94 N -2.00 -1.81 0.00 0.00 4.11 -1.26 -5.08 117.16 111.11 2kgo n TYR 94 Ca 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 57.90 55.74 2kgo n TYR 94 Cb 0.00 0.70 0.00 0.00 -0.00 0.00 0.00 39.34 40.04 2kgo n TYR 94 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2kgo n THR 95 N -0.56 0.00 -1.07 -3.48 -2.24 -1.26 -5.03 114.28 100.63 2kgo n THR 95 Ca -0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 2kgo n THR 95 Cb 0.59 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.87 0.57 3.78 3.38 0.00 -1.26 -5.01 105.19 108.52 2kgo n GLY 96 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2kgo n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kgo s TYR 97 N -1.94 3.16 -0.03 1.61 1.51 -1.26 -4.98 117.35 115.42 2kgo s TYR 97 Ca 0.00 1.62 0.12 0.00 -1.01 0.00 0.00 57.07 57.80 2kgo s TYR 97 Cb 0.00 -3.15 0.22 0.00 -0.11 0.00 0.00 41.96 38.92 2kgo s TYR 97 CO 0.00 -0.79 1.10 0.27 -1.11 0.00 0.00 175.55 175.02 2kgo n ASN 98 N -0.29 0.77 -4.57 2.29 6.94 -1.26 -5.02 115.26 114.12 2kgo n ASN 98 Ca 0.06 -2.29 -0.27 0.00 -0.02 0.00 0.00 54.58 52.07 2kgo n ASN 98 Cb 0.50 -0.29 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 2kgo n ASN 98 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kgo s ARG 99 N -0.60 2.49 0.11 -3.83 0.52 -1.26 -4.72 118.95 111.66 2kgo s ARG 99 Ca 0.19 -0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 2kgo s ARG 99 Cb 0.20 -5.11 -0.06 0.00 0.52 0.00 0.00 34.95 30.51 2kgo s ARG 99 CO -0.06 -3.62 1.47 -0.09 0.02 0.00 0.00 175.30 173.02 2kgo h ARG 100 N 10.87 0.75 -1.43 3.54 2.43 -2.03 -3.46 114.38 125.06 2kgo h ARG 100 Ca 0.13 -0.35 0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2kgo h ARG 100 Cb 0.98 -0.01 -0.28 0.00 -0.42 0.00 0.00 29.97 30.24 2kgo h ARG 100 CO 1.21 0.97 0.47 0.20 -1.51 0.00 0.00 179.97 181.30 2kgo s GLY 101 N -3.61 0.14 0.45 2.80 0.00 -1.26 -5.16 107.32 100.68 2kgo s GLY 101 Ca -0.12 3.29 -0.24 0.00 0.00 0.00 0.00 44.72 47.65 2kgo s GLY 101 CO 0.83 2.62 1.31 -0.56 0.00 0.00 0.00 173.10 177.30 2kgo s SER 102 N 1.26 5.98 0.24 1.64 0.01 -1.26 -4.95 113.70 116.62 2kgo s SER 102 Ca -0.09 2.66 -0.06 0.00 1.31 0.00 0.00 55.95 59.78 2kgo s SER 102 Cb -0.03 -2.63 0.34 0.00 0.21 0.00 0.00 66.02 63.90 2kgo s SER 102 CO -0.14 -1.08 1.83 0.50 0.41 0.00 0.00 173.24 174.76 2kgo h LYS 103 N 2.23 0.83 -5.24 12.44 1.63 -2.04 -3.48 116.57 122.94 2kgo h LYS 103 Ca -0.50 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.25 2kgo h LYS 103 Cb 1.26 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2kgo h LYS 103 CO 0.61 0.55 -0.74 -3.47 -3.45 0.00 0.00 179.45 172.95 2kgo n ASP 104 N -4.69 -7.97 0.00 4.20 2.03 -1.26 -5.01 116.55 103.84 2kgo n ASP 104 Ca 0.12 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.37 2kgo n ASP 104 Cb 0.21 -5.31 0.00 0.00 -0.72 0.00 0.00 41.12 35.30 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 0.17 0.01 -4.72 1.67 2.88 -1.26 -5.08 113.62 107.29 2kgo n SER 105 Ca 0.06 -0.42 -0.33 0.00 -1.33 0.00 0.00 58.87 56.85 2kgo n SER 105 Cb 0.26 0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.01 2.93 -0.25 -1.46 -0.21 -1.26 -5.02 119.66 114.38 2kgo s GLN 106 Ca 0.00 -0.52 0.11 0.00 0.02 0.00 0.00 55.36 54.97 2kgo s GLN 106 Cb 0.00 -2.77 0.48 0.00 1.00 0.00 0.00 33.01 31.72 2kgo s GLN 106 CO 0.00 0.65 1.39 1.47 -2.12 0.00 0.00 175.29 176.68 2kgo n LEU 107 N 1.48 3.72 0.00 2.90 -0.00 -1.26 -5.21 117.00 118.62 2kgo n LEU 107 Ca -0.15 -3.61 0.01 0.00 -0.00 0.00 0.00 56.01 52.26 2kgo n LEU 107 Cb 0.53 -0.59 0.05 0.00 -0.00 0.00 0.00 43.42 43.41 2kgo n LEU 107 CO 0.34 1.14 0.29 -2.11 -0.00 0.00 0.00 177.39 177.05