#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5g s SER 3 N 0.00 3.22 0.20 0.00 1.04 -1.26 -4.86 113.70 112.04 2x5g s SER 3 Ca 0.00 1.55 -0.11 0.00 0.48 0.00 0.00 55.95 57.87 2x5g s SER 3 Cb 0.00 -2.21 0.23 0.00 0.10 0.00 0.00 66.02 64.14 2x5g s SER 3 CO 0.00 -2.81 1.73 0.25 0.98 0.00 0.00 173.24 173.40 2x5g h LEU 4 N -1.66 0.13 -0.41 2.42 5.85 -2.03 -2.05 115.31 117.56 2x5g h LEU 4 Ca -0.50 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2x5g h LEU 4 Cb 1.29 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2x5g h LEU 4 CO 0.53 0.09 0.26 0.50 -0.34 0.00 0.00 178.44 179.48 2x5g h LYS 5 N 0.33 0.52 -0.61 1.25 3.64 -1.98 0.26 116.57 119.98 2x5g h LYS 5 Ca 0.28 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2x5g h LYS 5 Cb 0.35 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2x5g h LYS 5 CO -0.31 0.34 0.32 0.93 -2.27 0.00 0.00 179.45 178.46 2x5g h GLU 6 N 0.53 0.57 -0.17 1.90 5.08 -1.84 0.39 114.58 121.04 2x5g h GLU 6 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2x5g h GLU 6 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2x5g h GLU 6 CO -0.05 0.38 0.05 0.82 -1.00 0.00 0.00 179.01 179.21 2x5g h ILE 7 N 0.59 1.19 -0.18 3.13 2.04 -0.98 0.14 117.51 123.44 2x5g h ILE 7 Ca 0.28 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2x5g h ILE 7 Cb 0.20 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2x5g h ILE 7 CO -0.19 0.18 -0.04 0.40 0.00 0.00 0.00 178.15 178.50 2x5g h ILE 8 N 0.10 0.83 -0.12 -0.67 2.04 -0.03 0.54 117.51 120.20 2x5g h ILE 8 Ca 0.06 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2x5g h ILE 8 Cb 0.24 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2x5g h ILE 8 CO -0.00 0.00 0.07 0.44 0.00 0.00 0.00 178.15 178.66 2x5g h ASP 9 N 0.00 0.14 -0.69 1.72 3.32 -0.02 -1.49 116.42 119.40 2x5g h ASP 9 Ca 0.08 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2x5g h ASP 9 Cb 0.13 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2x5g h ASP 9 CO -0.18 0.12 0.43 -0.33 -1.72 0.00 0.00 179.24 177.56 2x5g h GLU 10 N 0.14 0.81 -0.20 3.56 5.08 -0.35 -1.91 114.58 121.71 2x5g h GLU 10 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2x5g h GLU 10 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2x5g h GLU 10 CO -0.01 0.53 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.08 2x5g h LEU 11 N 0.83 0.47 0.02 1.33 3.38 -0.70 -1.91 115.31 118.72 2x5g h LEU 11 Ca 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2x5g h LEU 11 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2x5g h LEU 11 CO -0.11 0.81 -0.01 1.23 0.09 0.00 0.00 178.44 180.45 2x5g h GLY 12 N 1.11 -0.03 1.13 0.83 0.00 -0.91 -0.24 103.07 104.97 2x5g h GLY 12 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2x5g h GLY 12 CO 0.07 -0.01 0.53 1.70 0.00 0.00 0.00 176.54 178.83 2x5g h LYS 13 N -0.16 1.15 -0.00 4.80 3.64 -1.27 -2.43 116.57 122.30 2x5g h LYS 13 Ca -0.00 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2x5g h LYS 13 Cb 0.15 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2x5g h LYS 13 CO 0.00 0.80 -0.01 0.37 -2.27 0.00 0.00 179.45 178.34 2x5g h GLN 14 N 1.18 0.01 -0.15 1.90 4.15 -1.19 -1.84 115.11 119.16 2x5g h GLN 14 Ca 0.31 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.76 2x5g h GLN 14 Cb -0.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2x5g h GLN 14 CO -0.06 0.62 0.17 0.00 -1.93 0.00 0.00 178.83 177.62 2x5g h ALA 15 N 0.40 1.76 0.00 3.38 0.00 -1.01 -1.94 119.26 121.84 2x5g h ALA 15 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2x5g h ALA 15 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2x5g h ALA 15 CO 0.00 -0.25 -0.35 -0.22 0.00 0.00 0.00 179.25 178.44 2x5g h LYS 16 N 0.00 0.00 0.00 0.00 3.64 -1.35 -2.35 116.57 116.51 2x5g h LYS 16 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x5g h LYS 16 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2x5g h LYS 16 CO -0.00 0.80 0.07 0.93 -2.27 0.00 0.00 179.45 178.98 2x5g h GLU 17 N -1.00 0.00 0.00 1.90 5.08 -0.99 -3.04 114.58 116.54 2x5g h GLU 17 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2x5g h GLU 17 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2x5g h GLU 17 CO -0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.00 2x5g n GLN 18 N -3.01 5.09 -3.74 2.33 6.02 -0.76 -5.04 117.38 118.28 2x5g n GLN 18 Ca -0.03 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.00 56.66 2x5g n GLN 18 Cb 0.14 -0.48 0.05 0.00 1.02 0.00 0.00 30.24 30.96 2x5g n GLN 18 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2x5g n ASN 19 N -0.74 -3.83 -3.80 1.08 2.85 -0.89 -5.00 115.26 104.92 2x5g n ASN 19 Ca 0.00 -0.72 -0.06 0.00 -0.11 0.00 0.00 54.58 53.69 2x5g n ASN 19 Cb 0.00 -4.32 -0.02 0.00 1.24 0.00 0.00 39.78 36.69 2x5g n ASN 19 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2x5g s LYS 20 N -6.24 1.56 0.12 1.20 2.36 -1.20 -4.98 119.74 112.56 2x5g s LYS 20 Ca 0.39 -0.86 -0.35 0.00 -2.55 0.00 0.00 55.97 52.60 2x5g s LYS 20 Cb -0.19 0.53 -0.16 0.00 -1.05 0.00 0.00 37.83 36.96 2x5g s LYS 20 CO 0.79 -0.71 1.31 -0.89 1.55 0.00 0.00 175.35 177.40 2x5g n ILE 21 N -0.47 0.28 -5.15 5.43 5.41 -1.26 -4.31 119.36 119.30 2x5g n ILE 21 Ca -0.05 -0.07 -0.29 0.00 1.00 0.00 0.00 62.75 63.34 2x5g n ILE 21 Cb 0.60 -0.90 -0.16 0.00 -0.71 0.00 0.00 39.64 38.47 2x5g n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x5g s ALA 22 N 0.31 1.92 0.05 -1.39 0.00 -0.10 -4.91 121.76 117.64 2x5g s ALA 22 Ca 0.80 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2x5g s ALA 22 Cb -0.89 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 2x5g s ALA 22 CO 0.48 0.47 -0.06 -1.12 0.00 0.00 0.00 175.76 175.52 2x5g s SER 23 N -0.52 0.78 -0.24 0.00 0.01 -1.26 -0.38 113.70 112.09 2x5g s SER 23 Ca 0.08 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.44 2x5g s SER 23 Cb -0.09 0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.29 2x5g s SER 23 CO -0.01 -0.33 0.62 -0.60 0.41 0.00 0.00 173.24 173.33 2x5g s ARG 24 N -2.42 0.69 0.09 12.44 3.52 -0.65 -4.99 118.95 127.63 2x5g s ARG 24 Ca -0.03 0.95 -0.31 0.00 -0.13 0.00 0.00 55.73 56.20 2x5g s ARG 24 Cb -0.04 0.26 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 2x5g s ARG 24 CO -0.02 -0.11 1.50 0.42 -0.81 0.00 0.00 175.30 176.28 2x5g s ILE 25 N 0.76 3.18 0.17 4.11 1.01 -1.26 -0.26 121.20 128.91 2x5g s ILE 25 Ca -0.03 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 2x5g s ILE 25 Cb -0.05 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.87 2x5g s ILE 25 CO -0.06 0.03 1.02 -0.76 0.00 0.00 0.00 174.94 175.17 2x5g s LEU 26 N 1.83 4.52 -1.10 2.97 1.43 0.19 -4.88 118.68 123.65 2x5g s LEU 26 Ca 0.68 1.96 -0.05 0.00 -1.03 0.00 0.00 54.13 55.69 2x5g s LEU 26 Cb -0.38 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 42.54 2x5g s LEU 26 CO 0.30 -0.09 1.42 0.29 0.23 0.00 0.00 176.35 178.50 2x5g n LYS 27 N 2.32 4.25 -2.07 1.70 5.02 -1.26 -4.55 118.16 123.56 2x5g n LYS 27 Ca 0.02 -4.50 -0.42 0.00 -2.02 0.00 0.00 58.31 51.38 2x5g n LYS 27 Cb 0.47 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.92 2x5g n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2x5g s ILE 28 N -2.35 3.53 0.22 -0.18 1.01 -1.26 -4.93 121.20 117.25 2x5g s ILE 28 Ca 0.31 0.81 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 2x5g s ILE 28 Cb 0.02 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 2x5g s ILE 28 CO 0.06 -0.04 1.62 -0.75 0.00 0.00 0.00 174.94 175.84 2x5g s LYS 29 N 3.23 4.16 0.00 2.79 2.20 -1.26 -3.18 119.74 127.68 2x5g s LYS 29 Ca 0.70 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 2x5g s LYS 29 Cb -0.34 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2x5g s LYS 29 CO 0.28 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2x5g n GLY 30 N 3.25 0.04 3.72 5.54 0.00 -1.26 -5.04 105.19 111.43 2x5g n GLY 30 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2x5g n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x5g s ILE 31 N -2.00 3.89 -0.10 -0.61 1.01 -1.19 -4.92 121.20 117.28 2x5g s ILE 31 Ca 0.00 1.37 -0.07 0.00 0.00 0.00 0.00 60.65 61.95 2x5g s ILE 31 Cb 0.00 -3.88 -0.27 0.00 0.01 0.00 0.00 42.46 38.32 2x5g s ILE 31 CO 0.00 0.12 0.47 0.11 0.00 0.00 0.00 174.94 175.63 2x5g h LYS 32 N 6.65 0.30 0.00 2.79 1.57 -1.96 -3.47 116.57 122.45 2x5g h LYS 32 Ca -0.42 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 57.86 2x5g h LYS 32 Cb 1.21 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2x5g h LYS 32 CO 0.81 1.23 -0.03 -2.13 -0.57 0.00 0.00 179.45 178.76 2x5g n ARG 33 N -3.50 0.05 -2.78 3.15 0.63 -1.26 -5.00 116.66 107.95 2x5g n ARG 33 Ca -0.29 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.23 2x5g n ARG 33 Cb 1.06 -0.52 -0.05 0.00 0.45 0.00 0.00 32.46 33.40 2x5g n ARG 33 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x5g s ILE 34 N -1.03 4.34 -0.09 5.15 1.01 -1.26 -2.71 121.20 126.60 2x5g s ILE 34 Ca 0.00 2.01 0.01 0.00 0.00 0.00 0.00 60.65 62.67 2x5g s ILE 34 Cb 0.00 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 2x5g s ILE 34 CO 0.00 0.41 -0.13 -0.69 0.00 0.00 0.00 174.94 174.53 2x5g s VAL 35 N -0.58 3.13 -0.18 2.92 1.01 0.13 -4.92 120.40 121.91 2x5g s VAL 35 Ca 0.43 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2x5g s VAL 35 Cb -0.24 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2x5g s VAL 35 CO 0.30 0.56 0.06 -0.69 0.00 0.00 0.00 175.10 175.33 2x5g s VAL 36 N -0.18 4.81 -0.11 2.92 1.01 -1.26 -0.89 120.40 126.70 2x5g s VAL 36 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2x5g s VAL 36 Cb -0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2x5g s VAL 36 CO 0.03 0.46 -0.18 -1.58 0.00 0.00 0.00 175.10 173.84 2x5g s GLN 37 N 0.34 3.13 -0.06 2.72 0.74 0.27 -0.64 119.66 126.16 2x5g s GLN 37 Ca 0.03 -0.77 -0.15 0.00 0.05 0.00 0.00 55.36 54.52 2x5g s GLN 37 Cb -0.12 -2.46 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 2x5g s GLN 37 CO 0.00 0.25 0.40 -1.17 -0.55 0.00 0.00 175.29 174.22 2x5g s LEU 38 N 0.20 4.38 -0.08 3.68 2.96 0.64 -1.56 118.68 128.91 2x5g s LEU 38 Ca -0.11 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2x5g s LEU 38 Cb -0.16 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.97 2x5g s LEU 38 CO 0.06 0.21 -0.21 0.20 -1.32 0.00 0.00 176.35 175.29 2x5g s ASN 39 N -0.39 2.77 -0.30 3.68 0.01 0.68 -1.64 114.94 119.75 2x5g s ASN 39 Ca 0.23 -0.49 -0.10 0.00 -0.71 0.00 0.00 52.86 51.78 2x5g s ASN 39 Cb -0.16 -1.18 -0.02 0.00 0.41 0.00 0.00 41.25 40.31 2x5g s ASN 39 CO 0.11 0.15 0.17 0.00 -1.51 0.00 0.00 177.10 176.01 2x5g s ALA 40 N 0.32 3.36 -0.19 0.60 0.00 0.49 -1.26 121.76 125.08 2x5g s ALA 40 Ca -0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 2x5g s ALA 40 Cb -0.17 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.54 2x5g s ALA 40 CO 0.07 -0.79 -0.13 0.08 0.00 0.00 0.00 175.76 174.99 2x5g s VAL 41 N 1.67 2.67 -0.13 0.00 1.01 0.40 -0.92 120.40 125.10 2x5g s VAL 41 Ca 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2x5g s VAL 41 Cb -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2x5g s VAL 41 CO 0.08 0.49 0.12 -2.16 0.00 0.00 0.00 175.10 173.63 2x5g s PRO 42 N 1.28 3.50 0.00 2.72 0.05 -1.26 -1.08 135.00 140.21 2x5g s PRO 42 Ca 0.04 -0.18 0.00 0.00 0.05 0.00 0.00 61.00 60.90 2x5g s PRO 42 Cb -0.14 -3.18 0.00 0.00 0.05 0.00 0.00 34.50 31.24 2x5g s PRO 42 CO -0.07 0.69 0.00 0.36 0.05 0.00 0.00 177.00 178.03 2x5g n LYS 46 N 2.25 0.00 -4.30 4.56 2.85 -1.26 -4.81 118.16 117.46 2x5g n LYS 46 Ca -0.19 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.73 2x5g n LYS 46 Cb 0.54 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.78 2x5g n LYS 46 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2x5g s ILE 47 N 0.00 3.06 0.10 0.58 1.01 -1.26 -5.10 121.20 119.60 2x5g s ILE 47 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.13 2x5g s ILE 47 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2x5g s ILE 47 CO 0.00 0.48 -0.27 -0.13 0.00 0.00 0.00 174.94 175.03 2x5g s ARG 48 N 0.97 1.50 0.17 2.79 1.81 -0.24 -4.68 118.95 121.27 2x5g s ARG 48 Ca -0.01 -1.27 0.06 0.00 -1.72 0.00 0.00 55.73 52.78 2x5g s ARG 48 Cb -0.15 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 2x5g s ARG 48 CO -0.01 0.46 0.08 0.71 -0.68 0.00 0.00 175.30 175.86 2x5g s TYR 49 N -0.99 3.02 0.00 -0.53 2.02 0.28 -0.45 117.35 120.69 2x5g s TYR 49 Ca 0.13 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2x5g s TYR 49 Cb -0.10 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2x5g s TYR 49 CO 0.05 0.52 0.00 -1.13 -1.57 0.00 0.00 175.55 173.42 2x5g n SER 50 N -0.26 0.98 -3.57 2.29 3.41 -0.39 -0.81 113.62 115.27 2x5g n SER 50 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.44 2x5g n SER 50 Cb 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2x5g n SER 50 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x5g s THR 52 N 0.50 0.00 0.11 6.66 -4.23 -0.60 -0.23 115.64 117.85 2x5g s THR 52 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2x5g s THR 52 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 2x5g s THR 52 CO 0.00 0.00 -0.04 0.27 -0.54 0.00 0.00 174.62 174.31 2x5g s ILE 53 N -1.90 3.70 -0.01 2.99 -4.36 -1.26 -0.57 121.20 119.79 2x5g s ILE 53 Ca 0.04 -1.19 -0.10 0.00 -0.26 0.00 0.00 60.65 59.14 2x5g s ILE 53 Cb -0.01 -2.77 0.01 0.00 1.25 0.00 0.00 42.46 40.94 2x5g s ILE 53 CO -0.04 0.07 0.20 -1.00 0.24 0.00 0.00 174.94 174.42 2x5g s HIS 54 N -1.35 -0.06 0.15 1.37 3.76 -0.07 -4.64 115.29 114.46 2x5g s HIS 54 Ca 0.24 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.07 2x5g s HIS 54 Cb -0.11 0.01 -0.07 0.00 1.11 0.00 0.00 32.58 33.52 2x5g s HIS 54 CO 0.17 -0.30 0.57 -1.54 -0.85 0.00 0.00 174.74 172.79 2x5g s SER 55 N -1.21 6.86 0.49 1.40 1.04 -1.26 0.21 113.70 121.23 2x5g s SER 55 Ca -0.13 1.13 0.24 0.00 0.48 0.00 0.00 55.95 57.67 2x5g s SER 55 Cb -0.06 -2.31 1.28 0.00 0.10 0.00 0.00 66.02 65.03 2x5g s SER 55 CO 0.02 0.10 2.02 0.06 0.98 0.00 0.00 173.24 176.42 2x5g h GLN 56 N 3.57 0.00 0.00 4.02 3.07 -1.89 -2.97 115.11 120.91 2x5g h GLN 56 Ca -0.49 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.00 2x5g h GLN 56 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.71 2x5g h GLN 56 CO 0.66 0.16 -1.73 0.27 0.09 0.00 0.00 178.83 178.28 2x5g n ASN 57 N -3.77 0.70 -3.41 0.06 6.94 -1.26 -4.31 115.26 110.20 2x5g n ASN 57 Ca -0.02 0.32 -0.26 0.00 -0.02 0.00 0.00 54.58 54.60 2x5g n ASN 57 Cb 0.27 0.26 -0.08 0.00 -2.36 0.00 0.00 39.78 37.86 2x5g n ASN 57 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2x5g n ASN 58 N -2.92 2.15 -0.08 0.53 3.02 -1.22 -4.99 115.26 111.76 2x5g n ASN 58 Ca -0.17 -3.08 -0.03 0.00 -0.03 0.00 0.00 54.58 51.28 2x5g n ASN 58 Cb 0.98 -0.66 0.21 0.00 -0.61 0.00 0.00 39.78 39.70 2x5g n ASN 58 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2x5g h PHE 59 N 4.43 0.75 0.00 3.10 3.57 -1.71 -2.05 116.94 125.03 2x5g h PHE 59 Ca 0.16 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2x5g h PHE 59 Cb 0.76 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2x5g h PHE 59 CO 0.56 0.69 -0.65 0.00 -2.23 0.00 0.00 178.31 176.68 2x5g h ARG 60 N 0.68 0.00 -6.84 1.11 2.47 -1.94 -3.42 114.38 106.43 2x5g h ARG 60 Ca 0.14 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.40 2x5g h ARG 60 Cb 0.38 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.74 2x5g h ARG 60 CO 0.01 0.00 -0.01 0.15 0.56 0.00 0.00 179.97 180.69 2x5g s LYS 61 N -3.25 2.94 0.25 0.04 1.02 -0.77 -5.03 119.74 114.93 2x5g s LYS 61 Ca 0.04 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 2x5g s LYS 61 Cb 0.11 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 2x5g s LYS 61 CO 0.73 -0.47 1.44 -1.14 -0.92 0.00 0.00 175.35 175.00 2x5g s GLN 62 N -4.72 4.27 0.15 1.68 0.74 -1.26 -4.73 119.66 115.79 2x5g s GLN 62 Ca 0.51 2.30 -0.31 0.00 0.05 0.00 0.00 55.36 57.92 2x5g s GLN 62 Cb -0.10 -3.11 -0.08 0.00 1.10 0.00 0.00 33.01 30.81 2x5g s GLN 62 CO 0.40 -0.42 1.38 -1.50 -0.55 0.00 0.00 175.29 174.60 2x5g s ILE 63 N -0.01 3.20 -0.36 -2.34 2.07 -1.26 -4.99 121.20 117.52 2x5g s ILE 63 Ca 0.59 0.91 -0.13 0.00 -1.41 0.00 0.00 60.65 60.61 2x5g s ILE 63 Cb -0.42 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.58 2x5g s ILE 63 CO 0.43 0.10 0.25 -0.83 -1.91 0.00 0.00 174.94 172.98 2x5g s GLY 64 N 0.81 1.98 0.33 1.50 0.00 -1.26 -5.06 107.32 105.62 2x5g s GLY 64 Ca 0.62 -1.46 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 2x5g s GLY 64 CO 0.34 0.81 0.89 -0.42 0.00 0.00 0.00 173.10 174.72 2x5g s ILE 65 N 1.71 4.36 0.38 0.90 1.01 -1.26 -5.08 121.20 123.22 2x5g s ILE 65 Ca 0.06 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.32 2x5g s ILE 65 Cb -0.18 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2x5g s ILE 65 CO 0.10 0.00 0.11 0.42 0.00 0.00 0.00 174.94 175.58 2x5g s THR 66 N -1.78 0.75 0.46 2.92 -4.23 -1.26 -5.05 115.64 107.45 2x5g s THR 66 Ca 0.52 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 2x5g s THR 66 Cb -0.15 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.43 2x5g s THR 66 CO 0.20 0.00 2.04 -0.65 -0.54 0.00 0.00 174.62 175.67 2x5g h PRO 67 N 1.91 0.08 0.00 3.99 0.11 -2.04 -1.54 132.00 134.51 2x5g h PRO 67 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2x5g h PRO 67 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2x5g h PRO 67 CO 0.60 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 2x5g n GLN 68 N -4.40 0.12 -0.01 1.05 10.64 -1.26 -2.23 117.38 121.29 2x5g n GLN 68 Ca -0.02 0.58 0.14 0.00 -1.83 0.00 0.00 57.00 55.87 2x5g n GLN 68 Cb 0.18 -1.85 0.69 0.00 -0.86 0.00 0.00 30.24 28.40 2x5g n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2x5g n ASP 69 N -2.09 0.76 -0.16 2.61 8.00 -0.58 -4.37 116.55 120.71 2x5g n ASP 69 Ca -0.01 -1.31 -0.02 0.00 0.71 0.00 0.00 54.79 54.16 2x5g n ASP 69 Cb 0.06 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.21 2x5g n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x5g h ALA 70 N 4.11 0.54 -0.55 2.24 0.00 -1.63 -1.43 119.26 122.53 2x5g h ALA 70 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2x5g h ALA 70 Cb 0.25 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2x5g h ALA 70 CO 0.00 -0.34 -0.10 0.93 0.00 0.00 0.00 179.25 179.74 2x5g h GLU 71 N 0.19 1.05 -0.60 0.00 4.39 -1.85 -1.68 114.58 116.08 2x5g h GLU 71 Ca 0.25 -0.39 0.08 0.00 0.34 0.00 0.00 59.36 59.64 2x5g h GLU 71 Cb 0.36 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2x5g h GLU 71 CO -0.36 1.08 0.26 -0.44 -1.16 0.00 0.00 179.01 178.39 2x5g h ASP 72 N 0.93 0.32 -0.44 1.42 3.32 -1.73 -1.13 116.42 119.11 2x5g h ASP 72 Ca 0.14 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2x5g h ASP 72 Cb 0.67 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2x5g h ASP 72 CO 0.05 0.20 0.06 -0.07 -1.72 0.00 0.00 179.24 177.77 2x5g h LEU 73 N 0.48 0.76 -0.66 1.55 3.38 -0.68 0.12 115.31 120.25 2x5g h LEU 73 Ca 0.29 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2x5g h LEU 73 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2x5g h LEU 73 CO -0.25 0.79 0.10 0.11 0.09 0.00 0.00 178.44 179.28 2x5g h LYS 74 N 0.77 1.11 -0.15 1.13 1.57 -0.80 -1.11 116.57 119.08 2x5g h LYS 74 Ca 0.16 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 2x5g h LYS 74 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2x5g h LYS 74 CO 0.01 1.02 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.46 2x5g h LEU 75 N 1.03 0.34 -0.34 2.94 3.38 -0.51 -0.67 115.31 121.48 2x5g h LEU 75 Ca 0.20 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2x5g h LEU 75 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2x5g h LEU 75 CO 0.02 0.69 -0.21 0.40 0.09 0.00 0.00 178.44 179.43 2x5g h ILE 76 N 0.28 1.29 -0.32 1.22 2.04 -0.78 -1.38 117.51 119.86 2x5g h ILE 76 Ca 0.03 -1.35 0.01 0.00 1.00 0.00 0.00 64.86 64.55 2x5g h ILE 76 Cb 0.79 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2x5g h ILE 76 CO 0.06 0.44 0.18 0.00 0.00 0.00 0.00 178.15 178.84 2x5g h ALA 77 N 0.77 0.39 -0.92 1.87 0.00 -0.90 -0.54 119.26 119.93 2x5g h ALA 77 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x5g h ALA 77 Cb 0.76 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2x5g h ALA 77 CO 0.06 -0.18 0.60 0.93 0.00 0.00 0.00 179.25 180.66 2x5g h GLU 78 N 0.38 1.21 -0.47 0.00 5.08 -1.02 -1.42 114.58 118.34 2x5g h GLU 78 Ca 0.12 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2x5g h GLU 78 Cb 0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2x5g h GLU 78 CO -0.06 0.80 -0.22 0.35 -1.00 0.00 0.00 179.01 178.89 2x5g h PHE 79 N 1.24 1.11 -0.34 4.33 3.57 -0.79 0.24 116.94 126.31 2x5g h PHE 79 Ca 0.34 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2x5g h PHE 79 Cb -0.14 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 2x5g h PHE 79 CO 0.00 1.09 0.19 -0.07 -2.23 0.00 0.00 178.31 177.30 2x5g h LEU 80 N 0.82 0.42 -0.71 0.59 3.38 -0.68 -2.29 115.31 116.84 2x5g h LEU 80 Ca 0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2x5g h LEU 80 Cb 0.79 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2x5g h LEU 80 CO 0.07 0.37 0.16 -0.33 0.09 0.00 0.00 178.44 178.79 2x5g h GLU 81 N 0.43 1.14 -0.41 1.13 5.08 -1.07 -0.23 114.58 120.65 2x5g h GLU 81 Ca 0.12 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2x5g h GLU 81 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2x5g h GLU 81 CO -0.02 1.01 0.08 -0.22 -1.00 0.00 0.00 179.01 178.87 2x5g h LYS 82 N 1.08 0.62 -0.27 2.33 3.64 -0.57 -3.05 116.57 120.34 2x5g h LYS 82 Ca 0.22 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2x5g h LYS 82 Cb 0.40 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2x5g h LYS 82 CO 0.01 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.43 2x5g n TYR 83 N -4.31 0.35 0.08 1.91 4.02 -0.89 -4.72 117.16 113.60 2x5g n TYR 83 Ca 0.03 -0.30 -0.13 0.00 -0.01 0.00 0.00 57.90 57.49 2x5g n TYR 83 Cb 0.21 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 2x5g n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2x5g h SER 84 N 2.63 -1.00 -0.25 7.72 0.87 -0.92 -0.68 113.55 121.92 2x5g h SER 84 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2x5g h SER 84 Cb 0.71 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2x5g h SER 84 CO 0.00 -0.41 0.14 0.44 -0.53 0.00 0.00 176.83 176.48 2x5g h ASP 85 N -0.52 0.30 -0.05 6.23 3.32 -1.84 -0.44 116.42 123.42 2x5g h ASP 85 Ca 0.05 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.07 2x5g h ASP 85 Cb 0.58 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 2x5g h ASP 85 CO -0.25 0.28 -0.25 0.15 -1.72 0.00 0.00 179.24 177.45 2x5g h PHE 86 N 0.30 -0.68 -0.88 4.55 3.57 -1.86 -2.32 116.94 119.62 2x5g h PHE 86 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2x5g h PHE 86 Cb 0.04 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2x5g h PHE 86 CO -0.04 -0.34 0.53 -0.07 -2.23 0.00 0.00 178.31 176.15 2x5g h LEU 87 N -0.37 1.05 -1.00 0.59 3.38 -0.92 -0.14 115.31 117.90 2x5g h LEU 87 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2x5g h LEU 87 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x5g h LEU 87 CO -0.26 0.81 0.00 0.78 0.09 0.00 0.00 178.44 179.86 2x5g h ASN 88 N 1.21 0.00 0.92 -0.43 2.35 -0.86 -1.59 115.58 117.18 2x5g h ASN 88 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2x5g h ASN 88 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2x5g h ASN 88 CO -0.06 0.00 -1.00 -0.62 -1.65 0.00 0.00 177.43 174.10 2x5g n GLU 89 N -2.86 0.56 -0.09 0.81 -0.58 -0.70 -4.63 120.64 113.15 2x5g n GLU 89 Ca 0.02 0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.75 2x5g n GLU 89 Cb 0.33 -1.79 -0.11 0.00 -0.57 0.00 0.00 31.44 29.29 2x5g n GLU 89 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2x5g n TYR 90 N -2.57 0.00 -4.33 -0.32 9.36 -0.15 -5.03 117.16 114.12 2x5g n TYR 90 Ca 0.00 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.05 2x5g n TYR 90 Cb 0.53 -0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 38.35 2x5g n TYR 90 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2x5g s VAL 91 N -2.40 1.08 -0.11 2.97 -7.23 -0.64 -5.07 120.40 109.01 2x5g s VAL 91 Ca -0.16 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 57.94 2x5g s VAL 91 Cb 0.06 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2x5g s VAL 91 CO 0.58 -0.35 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.47 2x5g s LYS 92 N -3.85 3.21 0.53 4.82 -0.14 -1.26 -4.67 119.74 118.38 2x5g s LYS 92 Ca 0.28 -0.45 -0.01 0.00 -1.36 0.00 0.00 55.97 54.43 2x5g s LYS 92 Cb 0.05 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.39 2x5g s LYS 92 CO 0.08 0.55 0.77 -0.06 -0.76 0.00 0.00 175.35 175.93 2x5g s PHE 93 N -0.45 3.06 0.32 3.18 0.08 -1.26 -0.56 117.98 122.35 2x5g s PHE 93 Ca 0.08 0.21 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 2x5g s PHE 93 Cb -0.12 -2.61 -0.10 0.00 -0.57 0.00 0.00 43.02 39.62 2x5g s PHE 93 CO 0.02 -0.70 1.34 -0.08 -0.10 0.00 0.00 175.22 175.70 2x5g s THR 94 N -2.75 2.66 0.00 0.64 -1.32 0.01 -4.65 115.64 110.24 2x5g s THR 94 Ca 0.53 0.65 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 2x5g s THR 94 Cb -0.10 -3.41 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2x5g s THR 94 CO 0.40 0.15 0.00 -2.65 -2.21 0.00 0.00 174.62 170.30