#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfa h SER 3 N 0.00 0.91 -0.10 7.28 0.02 -2.04 0.22 113.55 119.83 3gfa h SER 3 Ca 0.00 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3gfa h SER 3 Cb 0.00 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 3gfa h SER 3 CO 0.00 0.64 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.42 3gfa h ASP 4 N 1.07 -0.37 -0.40 3.07 3.58 -2.04 -2.00 116.42 119.32 3gfa h ASP 4 Ca 0.32 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.76 3gfa h ASP 4 Cb -0.04 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3gfa h ASP 4 CO -0.10 -0.16 -0.05 0.28 -2.88 0.00 0.00 179.24 176.33 3gfa h SER 5 N -0.16 0.80 -0.91 2.28 0.02 -1.72 -1.03 113.55 112.83 3gfa h SER 5 Ca 0.08 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3gfa h SER 5 Cb 0.27 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 3gfa h SER 5 CO -0.20 0.89 0.60 0.40 -1.14 0.00 0.00 176.83 177.39 3gfa h ILE 6 N 0.75 1.22 -0.05 3.27 2.04 -0.30 -0.79 117.51 123.65 3gfa h ILE 6 Ca 0.14 -0.42 -0.25 0.00 1.00 0.00 0.00 64.86 65.33 3gfa h ILE 6 Cb 0.52 -0.11 0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3gfa h ILE 6 CO 0.03 0.22 -0.94 0.77 0.00 0.00 0.00 178.15 178.23 3gfa h SER 7 N 1.22 0.89 1.81 1.72 4.64 -1.15 -3.32 113.55 119.36 3gfa h SER 7 Ca 0.34 -0.66 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 3gfa h SER 7 Cb -0.11 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.70 3gfa h SER 7 CO -0.08 1.46 -0.18 0.11 -0.87 0.00 0.00 176.83 177.28 3gfa h LYS 8 N 0.43 0.00 -6.62 4.77 6.56 -0.97 -3.47 116.57 117.28 3gfa h LYS 8 Ca -0.10 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 58.94 3gfa h LYS 8 Cb 1.58 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 33.31 3gfa h LYS 8 CO 0.19 0.18 0.89 -2.13 -2.06 0.00 0.00 179.45 176.51 3gfa n ARG 9 N -3.15 2.49 -4.17 3.15 0.63 -0.32 -5.01 116.66 110.28 3gfa n ARG 9 Ca 0.03 0.90 -0.16 0.00 -0.92 0.00 0.00 57.85 57.70 3gfa n ARG 9 Cb 0.60 -2.69 -0.11 0.00 0.45 0.00 0.00 32.46 30.71 3gfa n ARG 9 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gfa s ARG 10 N 0.72 0.83 -0.08 -0.14 1.81 -1.26 -5.02 118.95 115.82 3gfa s ARG 10 Ca 0.74 -1.06 -0.30 0.00 -1.72 0.00 0.00 55.73 53.40 3gfa s ARG 10 Cb -0.58 -0.66 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 3gfa s ARG 10 CO 0.38 0.13 1.48 -1.12 -0.68 0.00 0.00 175.30 175.49 3gfa s SER 11 N -2.11 6.79 -0.18 0.23 0.01 -1.26 -4.51 113.70 112.67 3gfa s SER 11 Ca 0.02 2.04 -0.05 0.00 1.31 0.00 0.00 55.95 59.27 3gfa s SER 11 Cb -0.06 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 3gfa s SER 11 CO 0.01 -0.84 0.01 -0.63 0.41 0.00 0.00 173.24 172.20 3gfa s ILE 12 N 3.55 4.22 -0.01 1.44 -1.09 -0.19 -4.93 121.20 124.19 3gfa s ILE 12 Ca 0.66 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.86 3gfa s ILE 12 Cb -0.29 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.73 3gfa s ILE 12 CO 0.24 0.46 0.89 0.54 -1.23 0.00 0.00 174.94 175.84 3gfa n ARG 13 N 3.71 2.02 -3.96 2.79 1.74 -1.26 -4.15 116.66 117.55 3gfa n ARG 13 Ca -0.17 -1.32 -0.17 0.00 -0.77 0.00 0.00 57.85 55.42 3gfa n ARG 13 Cb 0.52 -0.90 -0.16 0.00 -1.02 0.00 0.00 32.46 30.90 3gfa n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3gfa s LYS 14 N -0.87 0.36 0.03 5.56 1.02 -1.26 -4.84 119.74 119.73 3gfa s LYS 14 Ca 0.03 0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.10 3gfa s LYS 14 Cb 0.02 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3gfa s LYS 14 CO 0.00 -0.11 -0.14 0.71 -0.92 0.00 0.00 175.35 174.89 3gfa s TYR 15 N 0.92 1.24 0.68 3.18 2.02 -1.26 -0.61 117.35 123.52 3gfa s TYR 15 Ca -0.10 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.11 3gfa s TYR 15 Cb -0.13 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 3gfa s TYR 15 CO -0.01 0.03 1.16 0.15 -1.57 0.00 0.00 175.55 175.30 3gfa s LYS 16 N -1.03 2.55 -1.12 -0.62 -0.14 0.11 -4.70 119.74 114.80 3gfa s LYS 16 Ca 0.02 1.59 -0.18 0.00 -1.36 0.00 0.00 55.97 56.04 3gfa s LYS 16 Cb -0.08 -1.90 0.10 0.00 -1.68 0.00 0.00 37.83 34.28 3gfa s LYS 16 CO 0.01 -1.48 1.45 1.21 -0.76 0.00 0.00 175.35 175.78 3gfa s ASN 17 N -2.23 6.76 -0.20 2.83 2.47 -1.26 -4.67 114.94 118.64 3gfa s ASN 17 Ca 0.71 -2.23 -0.09 0.00 0.42 0.00 0.00 52.86 51.67 3gfa s ASN 17 Cb -0.25 -2.49 0.08 0.00 -1.45 0.00 0.00 41.25 37.14 3gfa s ASN 17 CO 0.42 -1.13 0.45 -1.58 -3.72 0.00 0.00 177.10 171.54 3gfa s GLN 18 N 3.41 0.40 0.80 0.43 0.74 -1.26 -5.15 119.66 119.02 3gfa s GLN 18 Ca 0.44 1.00 -0.11 0.00 0.05 0.00 0.00 55.36 56.74 3gfa s GLN 18 Cb -0.01 0.24 0.07 0.00 1.10 0.00 0.00 33.01 34.41 3gfa s GLN 18 CO -0.03 -0.21 1.09 -1.12 -0.55 0.00 0.00 175.29 174.47 3gfa s SER 19 N 2.14 4.37 -0.07 6.67 0.01 -1.26 -4.64 113.70 120.92 3gfa s SER 19 Ca -0.05 1.56 0.05 0.00 1.31 0.00 0.00 55.95 58.81 3gfa s SER 19 Cb -0.10 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 3gfa s SER 19 CO -0.14 -2.08 -0.21 -0.63 0.41 0.00 0.00 173.24 170.59 3gfa s ILE 20 N -3.00 2.39 0.68 1.44 1.01 -1.26 -4.99 121.20 117.46 3gfa s ILE 20 Ca 0.61 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 3gfa s ILE 20 Cb -0.16 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3gfa s ILE 20 CO 0.56 0.57 1.13 -0.94 0.00 0.00 0.00 174.94 176.25 3gfa s SER 21 N -0.18 4.91 0.22 3.58 1.04 -1.26 -4.91 113.70 117.10 3gfa s SER 21 Ca -0.02 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.38 3gfa s SER 21 Cb -0.14 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.62 3gfa s SER 21 CO 0.03 -1.77 1.86 -0.74 0.98 0.00 0.00 173.24 173.61 3gfa h HIS 22 N -0.09 1.14 -0.15 5.02 2.76 -1.99 -2.16 115.15 119.68 3gfa h HIS 22 Ca -0.47 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 57.63 3gfa h HIS 22 Cb 1.25 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 3gfa h HIS 22 CO 0.53 0.77 -0.17 1.05 -1.30 0.00 0.00 177.93 178.82 3gfa h GLU 23 N 1.18 0.25 -0.35 5.26 9.09 -1.99 0.43 114.58 128.46 3gfa h GLU 23 Ca 0.30 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 59.62 3gfa h GLU 23 Cb -0.02 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 3gfa h GLU 23 CO -0.05 0.43 0.13 1.15 0.05 0.00 0.00 179.01 180.71 3gfa h THR 24 N 0.24 1.20 -0.71 -1.06 2.02 -1.77 -1.18 112.91 111.64 3gfa h THR 24 Ca 0.04 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3gfa h THR 24 Cb 0.45 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3gfa h THR 24 CO 0.03 0.22 0.39 0.40 0.37 0.00 0.00 175.52 176.93 3gfa h ILE 25 N 0.42 1.22 -0.98 3.11 1.08 -1.01 -2.30 117.51 119.04 3gfa h ILE 25 Ca 0.12 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3gfa h ILE 25 Cb 0.21 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 3gfa h ILE 25 CO -0.01 0.24 0.65 -0.33 -0.69 0.00 0.00 178.15 178.01 3gfa h GLU 26 N 0.98 1.25 -0.77 2.37 5.08 -0.73 -0.94 114.58 121.82 3gfa h GLU 26 Ca 0.25 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3gfa h GLU 26 Cb 0.03 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 3gfa h GLU 26 CO -0.04 0.83 0.36 -0.22 -1.00 0.00 0.00 179.01 178.94 3gfa h LYS 27 N 1.29 1.11 -0.10 2.33 3.64 -0.75 0.18 116.57 124.27 3gfa h LYS 27 Ca 0.38 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3gfa h LYS 27 Cb -0.07 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3gfa h LYS 27 CO -0.10 0.86 0.02 0.82 -2.27 0.00 0.00 179.45 178.78 3gfa h ILE 28 N 1.10 1.20 -0.67 2.00 2.04 -0.88 -2.09 117.51 120.20 3gfa h ILE 28 Ca 0.27 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3gfa h ILE 28 Cb 0.12 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3gfa h ILE 28 CO -0.03 0.18 0.29 0.40 0.00 0.00 0.00 178.15 178.99 3gfa h ILE 29 N -0.05 1.23 -0.98 -0.67 2.04 -0.83 -2.24 117.51 116.01 3gfa h ILE 29 Ca 0.03 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.32 3gfa h ILE 29 Cb 0.26 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3gfa h ILE 29 CO 0.00 0.28 0.62 -0.33 0.00 0.00 0.00 178.15 178.72 3gfa h GLU 30 N 0.93 0.92 -0.48 2.37 5.08 -0.53 -0.19 114.58 122.69 3gfa h GLU 30 Ca 0.23 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3gfa h GLU 30 Cb 0.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3gfa h GLU 30 CO -0.02 0.61 0.32 0.00 -1.00 0.00 0.00 179.01 178.91 3gfa h ALA 31 N 1.55 0.61 -0.37 3.43 0.00 -0.79 -2.27 119.26 121.42 3gfa h ALA 31 Ca 0.48 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.42 3gfa h ALA 31 Cb 0.51 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3gfa h ALA 31 CO -0.25 0.05 0.05 0.78 0.00 0.00 0.00 179.25 179.89 3gfa h GLY 32 N 0.65 0.41 2.00 0.00 0.00 -0.80 -2.50 103.07 102.83 3gfa h GLY 32 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gfa h GLY 32 CO -0.04 -0.05 -0.00 -2.22 0.00 0.00 0.00 176.54 174.23 3gfa h ILE 33 N 0.17 0.95 0.00 2.60 2.04 -0.80 -0.88 117.51 121.60 3gfa h ILE 33 Ca 0.18 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3gfa h ILE 33 Cb 0.22 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3gfa h ILE 33 CO -0.25 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.49 3gfa n ASN 34 N -4.47 0.00 -4.72 1.72 3.02 -0.88 -4.85 115.26 105.09 3gfa n ASN 34 Ca -0.03 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 3gfa n ASN 34 Cb 0.09 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.36 3gfa n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfa s ALA 35 N -2.00 2.09 0.75 5.41 0.00 -0.33 -5.01 121.76 122.66 3gfa s ALA 35 Ca 0.44 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3gfa s ALA 35 Cb 0.20 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3gfa s ALA 35 CO 0.34 -1.92 1.08 -1.25 0.00 0.00 0.00 175.76 174.01 3gfa s PRO 36 N -3.95 2.48 -0.02 0.00 0.04 -1.26 -4.99 135.00 127.31 3gfa s PRO 36 Ca 0.74 1.08 -0.21 0.00 0.04 0.00 0.00 61.00 62.65 3gfa s PRO 36 Cb -0.29 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.36 3gfa s PRO 36 CO 0.46 -1.46 0.44 -1.54 0.04 0.00 0.00 177.00 174.94 3gfa s SER 37 N -3.55 -0.36 0.11 6.66 1.04 -1.26 -4.74 113.70 111.62 3gfa s SER 37 Ca 0.60 0.28 -0.32 0.00 0.48 0.00 0.00 55.95 56.99 3gfa s SER 37 Cb -0.16 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.24 3gfa s SER 37 CO 0.56 -0.53 1.79 -0.24 0.98 0.00 0.00 173.24 175.80 3gfa n SER 38 N 1.06 3.80 -1.85 7.02 2.88 -1.26 -0.88 113.62 124.39 3gfa n SER 38 Ca -0.20 1.01 -0.18 0.00 -1.33 0.00 0.00 58.87 58.16 3gfa n SER 38 Cb 0.57 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 3gfa n SER 38 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gfa n LYS 39 N 5.18 -1.56 -3.27 -1.46 4.76 -1.26 -1.58 118.16 118.97 3gfa n LYS 39 Ca 0.18 1.02 -0.21 0.00 -2.87 0.00 0.00 58.31 56.43 3gfa n LYS 39 Cb 0.35 -5.47 -0.01 0.00 -1.84 0.00 0.00 35.03 28.05 3gfa n LYS 39 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gfa n ASN 40 N -1.41 -3.44 0.10 4.39 5.15 -0.06 -4.86 115.26 115.14 3gfa n ASN 40 Ca -0.20 -0.31 0.13 0.00 -0.60 0.00 0.00 54.58 53.60 3gfa n ASN 40 Cb 0.63 -2.87 0.45 0.00 -0.53 0.00 0.00 39.78 37.45 3gfa n ASN 40 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gfa n ARG 41 N -3.56 0.21 -3.81 1.20 1.74 -0.62 -4.94 116.66 106.88 3gfa n ARG 41 Ca -0.02 0.25 -0.36 0.00 -0.77 0.00 0.00 57.85 56.95 3gfa n ARG 41 Cb 0.54 -1.78 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3gfa n ARG 41 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gfa n GLN 42 N -2.15 -0.89 0.00 5.56 6.02 -1.26 -4.83 117.38 119.84 3gfa n GLN 42 Ca 0.05 0.35 0.12 0.00 -0.01 0.00 0.00 57.00 57.51 3gfa n GLN 42 Cb 0.35 -3.53 0.51 0.00 1.02 0.00 0.00 30.24 28.60 3gfa n GLN 42 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gfa n PRO 43 N -4.38 0.01 -2.06 -1.09 -0.04 -1.26 -4.84 135.00 121.34 3gfa n PRO 43 Ca -0.10 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 3gfa n PRO 43 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 3gfa n PRO 43 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3gfa s TRP 44 N -2.99 2.98 0.03 0.54 -2.14 -1.26 -1.23 118.94 114.87 3gfa s TRP 44 Ca 0.12 1.32 0.02 0.00 2.66 0.00 0.00 56.10 60.22 3gfa s TRP 44 Cb 0.16 -3.75 -0.02 0.00 -3.10 0.00 0.00 33.47 26.76 3gfa s TRP 44 CO 0.43 -2.14 -0.08 1.03 -2.66 0.00 0.00 176.95 173.53 3gfa s ARG 45 N -1.60 0.56 -0.07 3.25 1.81 -0.27 -4.89 118.95 117.74 3gfa s ARG 45 Ca 0.51 -0.61 0.05 0.00 -1.72 0.00 0.00 55.73 53.96 3gfa s ARG 45 Cb -0.41 -0.42 -0.00 0.00 -0.45 0.00 0.00 34.95 33.66 3gfa s ARG 45 CO 0.53 0.09 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.96 3gfa s PHE 46 N -0.96 2.28 -0.23 -0.53 0.08 -1.26 -0.46 117.98 116.90 3gfa s PHE 46 Ca -0.05 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.24 3gfa s PHE 46 Cb -0.07 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 3gfa s PHE 46 CO 0.00 -0.28 -0.14 0.08 -0.10 0.00 0.00 175.22 174.79 3gfa s VAL 47 N 0.10 2.17 -0.26 -0.44 1.01 -0.20 -4.97 120.40 117.81 3gfa s VAL 47 Ca -0.09 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.31 3gfa s VAL 47 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3gfa s VAL 47 CO 0.05 0.16 0.57 -0.69 0.00 0.00 0.00 175.10 175.20 3gfa s VAL 48 N 1.17 5.03 -0.30 2.92 1.01 -1.26 -0.71 120.40 128.26 3gfa s VAL 48 Ca -0.04 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 3gfa s VAL 48 Cb -0.18 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3gfa s VAL 48 CO -0.08 0.06 0.14 -0.63 0.00 0.00 0.00 175.10 174.59 3gfa s ILE 49 N 2.39 4.56 0.35 2.22 -1.09 0.62 -5.00 121.20 125.24 3gfa s ILE 49 Ca 0.24 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 3gfa s ILE 49 Cb -0.16 -3.29 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3gfa s ILE 49 CO 0.09 0.12 0.33 0.35 -1.23 0.00 0.00 174.94 174.60 3gfa n THR 50 N 4.97 0.00 0.04 2.92 -2.24 -1.26 -2.08 114.28 116.63 3gfa n THR 50 Ca -0.14 -1.34 0.13 0.00 -2.27 0.00 0.00 64.05 60.42 3gfa n THR 50 Cb 0.50 -0.34 0.59 0.00 -2.10 0.00 0.00 70.33 68.98 3gfa n THR 50 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gfa h GLU 51 N 0.00 0.18 -0.33 -0.78 4.57 -1.96 -1.03 114.58 115.23 3gfa h GLU 51 Ca -0.21 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 3gfa h GLU 51 Cb 0.80 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3gfa h GLU 51 CO 0.32 0.12 0.07 1.57 -1.18 0.00 0.00 179.01 179.91 3gfa h LYS 52 N 0.18 0.49 -0.14 1.92 2.10 -1.95 -2.69 116.57 116.48 3gfa h LYS 52 Ca 0.18 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 3gfa h LYS 52 Cb 0.49 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 3gfa h LYS 52 CO -0.03 0.46 0.00 0.39 -2.00 0.00 0.00 179.45 178.27 3gfa n GLU 53 N -4.35 1.55 -0.07 0.07 -0.58 -0.45 -4.64 120.64 112.17 3gfa n GLU 53 Ca 0.02 -1.62 -0.07 0.00 -0.42 0.00 0.00 57.16 55.06 3gfa n GLU 53 Cb 0.19 -1.31 -0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3gfa n GLU 53 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3gfa h LYS 54 N 2.89 0.11 -0.67 3.49 3.64 -1.03 -2.94 116.57 122.05 3gfa h LYS 54 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3gfa h LYS 54 Cb 0.68 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3gfa h LYS 54 CO 0.00 0.07 0.21 1.49 -2.27 0.00 0.00 179.45 178.95 3gfa h GLU 55 N 0.11 1.03 -0.92 1.90 4.57 -1.82 -0.81 114.58 118.64 3gfa h GLU 55 Ca 0.13 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3gfa h GLU 55 Cb 0.16 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3gfa h GLU 55 CO -0.21 0.90 0.00 0.45 -1.18 0.00 0.00 179.01 178.97 3gfa n SER 56 N -4.34 0.28 0.00 1.04 2.88 -1.11 -1.12 113.62 111.24 3gfa n SER 56 Ca 0.05 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 3gfa n SER 56 Cb 0.22 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3gfa n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gfa n LEU 58 N 0.65 0.00 -0.25 2.46 4.77 -0.31 -1.92 117.00 122.41 3gfa n LEU 58 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3gfa n LEU 58 Cb 0.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3gfa n LEU 58 CO 0.00 0.00 0.95 0.11 -1.33 0.00 0.00 177.39 177.12 3gfa h LYS 59 N 0.00 1.12 -0.73 3.23 6.56 -1.38 -0.16 116.57 125.21 3gfa h LYS 59 Ca 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 3gfa h LYS 59 Cb 0.00 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.51 3gfa h LYS 59 CO 0.00 0.98 0.00 0.00 -2.06 0.00 0.00 179.45 178.37 3gfa n ALA 60 N -2.46 1.67 0.00 3.86 0.00 -0.81 -1.18 120.51 121.59 3gfa n ALA 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gfa n ALA 60 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3gfa n ALA 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gfa n SER 62 N 0.45 0.00 -0.05 0.00 7.64 -0.07 -2.08 113.62 119.50 3gfa n SER 62 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3gfa n SER 62 Cb 0.12 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 3gfa n SER 62 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3gfa h LYS 63 N 0.00 0.11 -0.58 1.43 3.64 -1.39 0.01 116.57 119.78 3gfa h LYS 63 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3gfa h LYS 63 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3gfa h LYS 63 CO 0.00 0.07 0.25 0.78 -2.27 0.00 0.00 179.45 178.28 3gfa h GLY 64 N 0.11 0.92 1.00 5.01 0.00 -1.66 -1.06 103.07 107.39 3gfa h GLY 64 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gfa h GLY 64 CO -0.16 0.46 0.30 -2.22 0.00 0.00 0.00 176.54 174.91 3gfa h ILE 65 N 0.80 1.12 -0.85 2.60 2.04 -1.46 -0.58 117.51 121.18 3gfa h ILE 65 Ca 0.20 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3gfa h ILE 65 Cb 0.17 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3gfa h ILE 65 CO -0.02 0.12 0.48 -0.61 0.00 0.00 0.00 178.15 178.12 3gfa h GLN 66 N 0.61 1.18 -0.97 2.37 5.75 -0.71 -0.25 115.11 123.09 3gfa h GLN 66 Ca 0.17 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3gfa h GLN 66 Cb -0.05 -0.24 -0.05 0.00 1.07 0.00 0.00 27.48 28.21 3gfa h GLN 66 CO -0.03 0.85 0.64 -0.91 -2.65 0.00 0.00 178.83 176.72 3gfa h ASN 67 N 1.19 1.11 -0.18 -0.69 2.35 -0.53 -0.26 115.58 118.57 3gfa h ASN 67 Ca 0.30 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3gfa h ASN 67 Cb 0.01 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3gfa h ASN 67 CO -0.05 0.81 0.09 -0.08 -1.65 0.00 0.00 177.43 176.54 3gfa h GLU 68 N 1.31 0.26 -0.76 0.81 4.57 -0.31 -0.42 114.58 120.04 3gfa h GLU 68 Ca 0.35 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 3gfa h GLU 68 Cb -0.15 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.34 3gfa h GLU 68 CO -0.08 0.29 0.50 0.82 -1.18 0.00 0.00 179.01 179.36 3gfa h ILE 69 N 0.17 0.98 -0.07 2.32 2.04 -0.53 -1.12 117.51 121.31 3gfa h ILE 69 Ca 0.06 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3gfa h ILE 69 Cb 0.12 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3gfa h ILE 69 CO -0.01 0.14 0.00 0.59 0.00 0.00 0.00 178.15 178.87 3gfa n ASN 70 N -4.49 0.40 -1.40 1.72 3.02 -0.16 -4.87 115.26 109.47 3gfa n ASN 70 Ca 0.12 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.53 3gfa n ASN 70 Cb 0.28 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 3gfa n ASN 70 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gfa n ASP 71 N -0.29 -4.36 -0.12 6.41 8.00 -0.42 -4.89 116.55 120.88 3gfa n ASP 71 Ca 0.02 0.10 0.10 0.00 0.71 0.00 0.00 54.79 55.72 3gfa n ASP 71 Cb 0.07 -3.39 0.15 0.00 -0.02 0.00 0.00 41.12 37.92 3gfa n ASP 71 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gfa n ASN 72 N -0.49 2.35 0.00 -2.24 3.02 -0.20 -5.03 115.26 112.66 3gfa n ASN 72 Ca -0.15 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 3gfa n ASN 72 Cb 0.57 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3gfa n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gfa n GLY 73 N -1.40 2.46 0.00 7.41 0.00 -1.21 -4.75 105.19 107.69 3gfa n GLY 73 Ca 0.16 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.19 3gfa n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfa n LEU 74 N 0.00 0.35 -2.91 0.99 4.77 -1.26 -4.77 117.00 114.17 3gfa n LEU 74 Ca 0.00 -0.50 -0.24 0.00 -0.03 0.00 0.00 56.01 55.24 3gfa n LEU 74 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3gfa n LEU 74 CO 0.00 0.09 0.07 0.18 -1.33 0.00 0.00 177.39 176.39 3gfa n LEU 75 N -1.18 3.65 0.27 2.23 4.32 -1.26 -4.92 117.00 120.11 3gfa n LEU 75 Ca 0.01 -5.39 0.11 0.00 -0.02 0.00 0.00 56.01 50.72 3gfa n LEU 75 Cb 0.12 -0.24 0.73 0.00 -1.62 0.00 0.00 43.42 42.40 3gfa n LEU 75 CO 0.15 2.29 1.05 1.55 -1.22 0.00 0.00 177.39 181.21 3gfa h PRO 76 N 2.93 0.00 0.00 3.23 0.13 -1.96 -0.39 132.00 135.94 3gfa h PRO 76 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gfa h PRO 76 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3gfa h PRO 76 CO 0.75 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 3gfa n GLY 77 N -1.29 -0.86 0.55 1.56 0.00 -1.26 -3.83 105.19 100.05 3gfa n GLY 77 Ca -0.03 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3gfa n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfa n SER 78 N -0.91 1.75 0.01 1.61 7.64 -0.15 -4.79 113.62 118.78 3gfa n SER 78 Ca 0.17 -3.50 0.11 0.00 1.01 0.00 0.00 58.87 56.66 3gfa n SER 78 Cb 0.08 -0.48 0.54 0.00 -1.01 0.00 0.00 64.21 63.34 3gfa n SER 78 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3gfa h ARG 79 N 0.73 0.29 0.00 1.43 2.43 -1.67 0.42 114.38 118.01 3gfa h ARG 79 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gfa h ARG 79 Cb 1.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3gfa h ARG 79 CO 0.01 0.19 0.00 -0.56 -1.51 0.00 0.00 179.97 178.10 3gfa h GLN 80 N 0.30 0.00 -0.02 0.20 -0.00 -1.93 -2.22 115.11 111.44 3gfa h GLN 80 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 3gfa h GLN 80 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 3gfa h GLN 80 CO -0.04 0.00 -0.04 0.72 -0.00 0.00 0.00 178.83 179.46 3gfa n HIS 81 N -2.73 0.00 -0.22 0.06 8.25 0.14 -4.39 115.22 116.33 3gfa n HIS 81 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 3gfa n HIS 81 Cb 0.10 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.26 3gfa n HIS 81 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3gfa h ILE 82 N 3.75 1.26 -0.96 1.59 2.04 -1.46 -2.16 117.51 121.57 3gfa h ILE 82 Ca 0.00 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.87 3gfa h ILE 82 Cb 0.82 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3gfa h ILE 82 CO 0.00 0.39 0.62 0.00 0.00 0.00 0.00 178.15 179.16 3gfa h ALA 83 N 1.09 1.29 -0.76 1.87 0.00 -1.79 -0.06 119.26 120.90 3gfa h ALA 83 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gfa h ALA 83 Cb 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gfa h ALA 83 CO 0.01 0.46 0.30 0.78 0.00 0.00 0.00 179.25 180.80 3gfa h GLY 84 N 1.17 1.22 1.04 0.00 0.00 -1.73 -1.85 103.07 102.91 3gfa h GLY 84 Ca 0.40 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3gfa h GLY 84 CO -0.14 0.63 0.39 0.00 0.00 0.00 0.00 176.54 177.42 3gfa h ALA 85 N 1.15 1.07 -0.57 3.60 0.00 -0.59 0.77 119.26 124.69 3gfa h ALA 85 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gfa h ALA 85 Cb 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3gfa h ALA 85 CO -0.02 0.64 0.24 -0.91 0.00 0.00 0.00 179.25 179.20 3gfa h ASN 86 N 1.18 0.74 -0.48 0.00 2.35 -0.77 -1.59 115.58 117.02 3gfa h ASN 86 Ca 0.28 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3gfa h ASN 86 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3gfa h ASN 86 CO -0.03 0.66 0.01 0.22 -1.65 0.00 0.00 177.43 176.63 3gfa h TYR 87 N 0.81 0.91 -0.95 1.19 3.20 -0.48 -2.78 116.97 118.87 3gfa h TYR 87 Ca 0.20 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 61.97 3gfa h TYR 87 Cb 0.14 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 3gfa h TYR 87 CO 0.01 0.87 0.61 1.15 -1.64 0.00 0.00 178.16 179.16 3gfa h THR 88 N 0.69 1.09 -0.74 1.81 2.02 -0.43 -0.58 112.91 116.76 3gfa h THR 88 Ca 0.14 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 66.99 3gfa h THR 88 Cb 0.50 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.72 3gfa h THR 88 CO 0.02 0.20 0.44 0.58 0.37 0.00 0.00 175.52 177.14 3gfa h VAL 89 N 1.12 1.00 -0.14 3.16 2.07 -1.04 -2.00 116.25 120.42 3gfa h VAL 89 Ca 0.41 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 3gfa h VAL 89 Cb 0.14 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3gfa h VAL 89 CO -0.16 0.15 -0.31 -0.33 0.02 0.00 0.00 177.57 176.93 3gfa h GLU 90 N 0.81 0.26 -1.50 1.57 4.39 -0.92 -1.77 114.58 117.42 3gfa h GLU 90 Ca 0.33 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3gfa h GLU 90 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3gfa h GLU 90 CO -0.17 0.55 0.00 -0.89 -1.16 0.00 0.00 179.01 177.34 3gfa n ILE 91 N -4.11 0.59 0.00 3.13 5.41 -0.42 -2.89 119.36 121.07 3gfa n ILE 91 Ca -0.01 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3gfa n ILE 91 Cb 0.41 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 3gfa n ILE 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3gfa n LYS 93 N 0.81 0.00 0.07 0.38 4.81 -0.67 -2.09 118.16 121.48 3gfa n LYS 93 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 3gfa n LYS 93 Cb 0.27 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.23 3gfa n LYS 93 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3gfa h GLN 94 N 0.00 0.00 -6.68 1.64 1.08 -1.83 -3.46 115.11 105.87 3gfa h GLN 94 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3gfa h GLN 94 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3gfa h GLN 94 CO 0.00 0.92 0.42 0.00 -0.95 0.00 0.00 178.83 179.22 3gfa s ALA 95 N -2.79 3.34 0.34 3.87 0.00 -0.89 -4.78 121.76 120.85 3gfa s ALA 95 Ca 0.01 0.73 0.18 0.00 0.00 0.00 0.00 51.96 52.87 3gfa s ALA 95 Cb 0.10 -3.30 0.90 0.00 0.00 0.00 0.00 23.12 20.82 3gfa s ALA 95 CO 0.81 -0.06 1.87 -1.00 0.00 0.00 0.00 175.76 177.38 3gfa h PRO 96 N 4.82 0.00 -3.91 0.00 0.13 -1.84 -3.44 132.00 127.77 3gfa h PRO 96 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 3gfa h PRO 96 Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 3gfa h PRO 96 CO 0.70 0.30 -0.74 0.08 -0.23 0.00 0.00 178.00 178.12 3gfa s VAL 97 N -4.09 0.17 -0.06 1.56 1.01 -1.20 -4.10 120.40 113.69 3gfa s VAL 97 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3gfa s VAL 97 Cb 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.35 3gfa s VAL 97 CO 0.68 0.07 -0.13 -0.89 0.00 0.00 0.00 175.10 174.84 3gfa s THR 98 N 0.20 1.17 -0.20 3.92 2.01 -0.88 -0.72 115.64 121.14 3gfa s THR 98 Ca -0.02 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3gfa s THR 98 Cb -0.04 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 3gfa s THR 98 CO -0.01 0.36 0.01 -0.63 -0.69 0.00 0.00 174.62 173.66 3gfa s ILE 99 N 0.61 4.01 0.06 1.82 1.01 0.43 -0.28 121.20 128.86 3gfa s ILE 99 Ca -0.14 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 3gfa s ILE 99 Cb -0.15 -2.81 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 3gfa s ILE 99 CO 0.04 0.43 0.70 -0.36 0.00 0.00 0.00 174.94 175.74 3gfa s PHE 100 N 0.99 3.77 -0.21 3.97 0.40 0.11 -0.45 117.98 126.57 3gfa s PHE 100 Ca 0.02 1.41 -0.04 0.00 -0.60 0.00 0.00 56.93 57.73 3gfa s PHE 100 Cb -0.14 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.67 3gfa s PHE 100 CO 0.02 0.39 -0.05 0.42 0.70 0.00 0.00 175.22 176.70 3gfa s ILE 101 N -0.48 3.40 0.19 0.64 -1.09 0.37 -1.04 121.20 123.20 3gfa s ILE 101 Ca 0.35 -0.49 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 3gfa s ILE 101 Cb -0.20 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3gfa s ILE 101 CO 0.22 0.44 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.55 3gfa s LEU 102 N 1.26 3.09 -0.38 2.97 1.43 0.39 -0.97 118.68 126.47 3gfa s LEU 102 Ca 0.03 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 3gfa s LEU 102 Cb -0.14 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3gfa s LEU 102 CO -0.02 0.09 0.16 0.21 0.23 0.00 0.00 176.35 177.02 3gfa s ASN 103 N -2.97 5.24 0.58 2.29 2.47 0.52 -1.12 114.94 121.96 3gfa s ASN 103 Ca 0.26 -1.68 0.35 0.00 0.42 0.00 0.00 52.86 52.22 3gfa s ASN 103 Cb -0.09 -1.83 1.78 0.00 -1.45 0.00 0.00 41.25 39.66 3gfa s ASN 103 CO 0.17 -0.46 2.16 -0.29 -3.72 0.00 0.00 177.10 174.96 3gfa h ILE 104 N 6.32 0.21 -0.51 -5.21 2.10 -1.46 -1.57 117.51 117.39 3gfa h ILE 104 Ca -0.18 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3gfa h ILE 104 Cb 1.06 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3gfa h ILE 104 CO 0.66 0.04 0.00 0.18 -1.08 0.00 0.00 178.15 177.95 3gfa n LEU 105 N -3.30 2.79 -4.83 2.19 4.77 -1.26 -4.84 117.00 112.51 3gfa n LEU 105 Ca -0.02 -1.38 -0.38 0.00 -0.03 0.00 0.00 56.01 54.21 3gfa n LEU 105 Cb 0.20 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3gfa n LEU 105 CO 0.26 0.69 0.09 -0.83 -1.33 0.00 0.00 177.39 176.26 3gfa s GLY 106 N -1.04 2.45 0.36 -0.72 0.00 -0.65 -4.99 107.32 102.73 3gfa s GLY 106 Ca 0.35 -0.25 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 3gfa s GLY 106 CO 0.24 0.15 0.75 0.54 0.00 0.00 0.00 173.10 174.78 3gfa s LYS 107 N -0.97 3.92 0.38 2.90 -0.14 -1.26 -4.17 119.74 120.41 3gfa s LYS 107 Ca 0.23 0.60 -0.26 0.00 -1.36 0.00 0.00 55.97 55.18 3gfa s LYS 107 Cb -0.16 -2.41 -0.11 0.00 -1.68 0.00 0.00 37.83 33.47 3gfa s LYS 107 CO 0.12 0.08 1.25 0.45 -0.76 0.00 0.00 175.35 176.50 3gfa n SER 108 N -0.73 2.52 0.28 2.83 2.88 -1.26 -4.85 113.62 115.29 3gfa n SER 108 Ca 0.03 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.91 3gfa n SER 108 Cb 0.53 -1.48 1.02 0.00 -0.75 0.00 0.00 64.21 63.54 3gfa n SER 108 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3gfa h PRO 109 N 2.24 0.00 0.00 -1.46 0.11 -1.99 -2.05 132.00 128.85 3gfa h PRO 109 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gfa h PRO 109 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gfa h PRO 109 CO 0.61 0.00 -0.26 1.28 -0.21 0.00 0.00 178.00 179.42 3gfa n LEU 110 N -2.82 0.61 -4.86 2.35 4.77 -1.26 -4.86 117.00 110.94 3gfa n LEU 110 Ca -0.02 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.01 3gfa n LEU 110 Cb 0.06 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3gfa n LEU 110 CO 0.17 -0.08 0.27 -1.61 -1.33 0.00 0.00 177.39 174.81 3gfa s GLU 111 N -3.10 3.92 0.13 3.23 2.02 -0.77 -5.08 118.70 119.06 3gfa s GLU 111 Ca 0.10 0.45 -0.20 0.00 0.02 0.00 0.00 54.97 55.34 3gfa s GLU 111 Cb 0.14 -2.72 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 3gfa s GLU 111 CO 0.64 0.35 0.64 0.15 0.02 0.00 0.00 175.26 177.06 3gfa s LYS 112 N -2.52 4.26 -0.07 1.61 -0.14 -1.26 -4.92 119.74 116.69 3gfa s LYS 112 Ca 0.45 0.82 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 3gfa s LYS 112 Cb -0.13 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 3gfa s LYS 112 CO 0.20 0.55 -0.19 -0.51 -0.76 0.00 0.00 175.35 174.64 3gfa s LEU 113 N -1.42 2.41 0.91 3.17 1.43 -1.26 -5.12 118.68 118.80 3gfa s LEU 113 Ca 0.35 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3gfa s LEU 113 Cb -0.19 -1.48 0.14 0.00 0.03 0.00 0.00 46.19 44.69 3gfa s LEU 113 CO 0.21 0.26 1.09 -0.94 0.23 0.00 0.00 176.35 177.20 3gfa s SER 114 N -0.23 3.24 0.26 2.29 1.04 -1.26 -4.75 113.70 114.29 3gfa s SER 114 Ca -0.00 1.61 -0.02 0.00 0.48 0.00 0.00 55.95 58.01 3gfa s SER 114 Cb -0.13 -2.27 0.49 0.00 0.10 0.00 0.00 66.02 64.21 3gfa s SER 114 CO 0.03 -2.80 1.77 -0.65 0.98 0.00 0.00 173.24 172.57 3gfa h PRO 115 N -1.66 0.62 -0.56 4.02 0.11 -2.00 -0.15 132.00 132.38 3gfa h PRO 115 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3gfa h PRO 115 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3gfa h PRO 115 CO 0.52 0.41 0.20 1.49 -0.21 0.00 0.00 178.00 180.41 3gfa h GLU 116 N 0.64 0.85 -0.66 1.05 4.81 -2.00 -0.53 114.58 118.74 3gfa h GLU 116 Ca 0.44 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3gfa h GLU 116 Cb 0.58 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3gfa h GLU 116 CO -0.34 0.76 0.31 0.93 -0.73 0.00 0.00 179.01 179.94 3gfa h GLU 117 N 0.77 0.94 -0.24 1.92 5.08 -1.75 -1.62 114.58 119.69 3gfa h GLU 117 Ca 0.18 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gfa h GLU 117 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gfa h GLU 117 CO -0.01 0.73 0.14 0.00 -1.00 0.00 0.00 179.01 178.87 3gfa h ARG 118 N 0.94 0.33 -0.81 2.33 2.47 -0.35 -1.35 114.38 117.94 3gfa h ARG 118 Ca 0.23 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.95 3gfa h ARG 118 Cb 0.11 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.31 3gfa h ARG 118 CO -0.03 0.28 0.52 0.74 0.56 0.00 0.00 179.97 182.03 3gfa h PHE 119 N 0.29 0.97 -0.27 3.04 0.04 -0.69 -2.51 116.94 117.80 3gfa h PHE 119 Ca 0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3gfa h PHE 119 Cb 0.03 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3gfa h PHE 119 CO -0.04 0.56 0.17 -0.92 -0.60 0.00 0.00 178.31 177.48 3gfa h TYR 120 N 1.01 0.35 0.00 -0.55 3.20 -1.17 -1.14 116.97 118.66 3gfa h TYR 120 Ca 0.32 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3gfa h TYR 120 Cb 0.01 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3gfa h TYR 120 CO -0.03 0.24 0.00 -1.91 -1.64 0.00 0.00 178.16 174.82 3gfa n GLU 121 N -4.88 0.02 0.00 1.82 2.13 -0.52 -0.94 120.64 118.27 3gfa n GLU 121 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3gfa n GLU 121 Cb 0.04 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.53 3gfa n GLU 121 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gfa n ALA 123 N 0.70 0.00 0.29 4.31 0.00 -0.43 -4.55 120.51 120.83 3gfa n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gfa n ALA 123 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3gfa n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gfa n ASN 124 N 0.00 0.72 0.00 0.00 3.02 -0.11 -2.01 115.26 116.88 3gfa n ASN 124 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3gfa n ASN 124 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 3gfa n ASN 124 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfa n GLN 126 N 0.72 0.00 -0.14 3.52 6.02 -1.26 -1.35 117.38 124.89 3gfa n GLN 126 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 3gfa n GLN 126 Cb 0.13 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.41 3gfa n GLN 126 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3gfa h SER 127 N 0.00 0.38 -0.47 1.08 0.02 -1.69 -0.99 113.55 111.88 3gfa h SER 127 Ca 0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3gfa h SER 127 Cb 0.00 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3gfa h SER 127 CO 0.00 0.27 -0.08 0.40 -1.14 0.00 0.00 176.83 176.28 3gfa h ILE 128 N 0.49 1.26 -0.95 3.27 2.04 -1.50 -1.98 117.51 120.15 3gfa h ILE 128 Ca 0.18 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.92 3gfa h ILE 128 Cb 0.05 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 3gfa h ILE 128 CO -0.11 0.42 0.60 1.23 0.00 0.00 0.00 178.15 180.29 3gfa h GLY 129 N 0.97 1.45 1.02 5.37 0.00 -1.74 0.03 103.07 110.16 3gfa h GLY 129 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3gfa h GLY 129 CO 0.04 0.29 0.50 0.00 0.00 0.00 0.00 176.54 177.37 3gfa h ALA 130 N 1.45 1.09 -0.03 3.60 0.00 -0.62 -0.26 119.26 124.50 3gfa h ALA 130 Ca 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gfa h ALA 130 Cb 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gfa h ALA 130 CO -0.19 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.65 3gfa h ALA 131 N 1.27 0.03 -0.21 0.00 0.00 -0.64 -0.86 119.26 118.86 3gfa h ALA 131 Ca 0.31 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3gfa h ALA 131 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gfa h ALA 131 CO -0.06 -0.44 -0.31 0.82 0.00 0.00 0.00 179.25 179.26 3gfa h ILE 132 N -0.02 1.28 -0.47 0.00 2.04 -0.80 -2.55 117.51 116.99 3gfa h ILE 132 Ca 0.01 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 3gfa h ILE 132 Cb 0.06 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3gfa h ILE 132 CO -0.00 0.42 0.07 -0.61 0.00 0.00 0.00 178.15 178.04 3gfa h GLN 133 N 0.36 0.77 -0.92 2.37 5.75 -0.91 -0.34 115.11 122.19 3gfa h GLN 133 Ca 0.05 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 3gfa h GLN 133 Cb 0.73 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3gfa h GLN 133 CO 0.06 0.79 0.00 0.09 -2.65 0.00 0.00 178.83 177.11 3gfa n ASN 134 N -4.45 0.00 0.00 -0.69 3.02 -0.34 -0.89 115.26 111.91 3gfa n ASN 134 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3gfa n ASN 134 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3gfa n ASN 134 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gfa n SER 136 N 0.67 0.00 -0.07 6.41 7.64 -0.14 -1.08 113.62 127.06 3gfa n SER 136 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3gfa n SER 136 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 3gfa n SER 136 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gfa h LEU 137 N 0.00 0.79 -0.68 -3.43 3.38 -1.28 -2.63 115.31 111.47 3gfa h LEU 137 Ca 0.00 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3gfa h LEU 137 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3gfa h LEU 137 CO 0.00 1.07 -0.00 0.74 0.09 0.00 0.00 178.44 180.34 3gfa h THR 138 N 0.62 1.26 -0.61 0.22 2.02 -1.34 -2.00 112.91 113.08 3gfa h THR 138 Ca 0.06 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 66.19 3gfa h THR 138 Cb 0.91 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 3gfa h THR 138 CO 0.08 0.41 0.25 0.00 0.37 0.00 0.00 175.52 176.63 3gfa h ALA 139 N 1.05 0.79 -0.28 6.16 0.00 -1.78 -1.62 119.26 123.58 3gfa h ALA 139 Ca 0.17 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3gfa h ALA 139 Cb 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3gfa h ALA 139 CO 0.03 -0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.52 3gfa h VAL 140 N 0.45 0.95 -0.34 0.00 2.07 -1.09 0.85 116.25 119.15 3gfa h VAL 140 Ca 0.30 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.79 3gfa h VAL 140 Cb 0.34 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3gfa h VAL 140 CO -0.28 0.05 0.23 -0.33 0.02 0.00 0.00 177.57 177.26 3gfa h GLU 141 N 0.25 0.20 -0.17 1.57 5.08 -0.63 -1.60 114.58 119.29 3gfa h GLU 141 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gfa h GLU 141 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3gfa h GLU 141 CO -0.11 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3gfa n LEU 142 N -4.48 1.77 0.00 1.33 4.77 -0.68 -4.91 117.00 114.80 3gfa n LEU 142 Ca 0.04 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3gfa n LEU 142 Cb 0.26 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3gfa n LEU 142 CO 0.35 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3gfa n GLY 143 N 1.15 0.61 4.00 -0.72 0.00 -0.60 -5.05 105.19 104.59 3gfa n GLY 143 Ca 0.16 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3gfa n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfa s LEU 144 N 0.00 3.55 0.37 0.99 1.43 0.23 -4.52 118.68 120.72 3gfa s LEU 144 Ca 0.00 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3gfa s LEU 144 Cb 0.00 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.51 3gfa s LEU 144 CO 0.00 -0.88 -0.01 -0.83 0.23 0.00 0.00 176.35 174.86 3gfa s GLY 145 N -4.39 2.29 0.17 -3.19 0.00 0.70 -3.75 107.32 99.15 3gfa s GLY 145 Ca 0.56 -2.17 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 3gfa s GLY 145 CO 0.35 -2.01 0.39 -1.35 0.00 0.00 0.00 173.10 170.48 3gfa s SER 146 N -3.62 -0.10 -0.08 1.64 1.04 -1.26 -2.17 113.70 109.15 3gfa s SER 146 Ca 0.34 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 3gfa s SER 146 Cb 0.07 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3gfa s SER 146 CO 0.17 -0.95 -0.01 -0.22 0.98 0.00 0.00 173.24 173.20 3gfa s LEU 147 N -2.91 0.69 0.08 2.42 2.96 -0.26 -1.02 118.68 120.64 3gfa s LEU 147 Ca 0.12 -0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.64 3gfa s LEU 147 Cb 0.01 -0.51 -0.06 0.00 0.50 0.00 0.00 46.19 46.14 3gfa s LEU 147 CO -0.02 -0.18 0.86 0.86 -1.32 0.00 0.00 176.35 176.54 3gfa s TRP 148 N 1.93 3.78 -0.12 5.38 -0.11 -1.26 -1.06 118.94 127.47 3gfa s TRP 148 Ca 0.05 1.63 -0.01 0.00 1.22 0.00 0.00 56.10 58.99 3gfa s TRP 148 Cb -0.12 -2.93 0.03 0.00 -1.50 0.00 0.00 33.47 28.95 3gfa s TRP 148 CO -0.06 0.25 -0.04 0.42 -4.62 0.00 0.00 176.95 172.91 3gfa s ILE 149 N -0.07 0.81 -1.33 5.86 1.01 0.34 -4.95 121.20 122.87 3gfa s ILE 149 Ca 0.42 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.89 3gfa s ILE 149 Cb -0.22 -0.97 0.15 0.00 0.01 0.00 0.00 42.46 41.43 3gfa s ILE 149 CO 0.26 0.21 0.96 0.00 0.00 0.00 0.00 174.94 176.38 3gfa h ASP 151 N 2.24 0.00 -0.13 0.00 3.32 -1.97 -0.26 116.42 119.62 3gfa h ASP 151 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3gfa h ASP 151 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3gfa h ASP 151 CO 0.00 0.00 0.37 -0.37 -1.72 0.00 0.00 179.24 177.52 3gfa h VAL 152 N 0.00 0.12 0.00 -1.35 -1.51 -1.97 -1.63 116.25 109.91 3gfa h VAL 152 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 3gfa h VAL 152 Cb 0.07 0.66 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 3gfa h VAL 152 CO 0.00 0.00 -0.11 1.88 -1.23 0.00 0.00 177.57 178.11 3gfa h TYR 153 N 0.00 0.00 0.00 5.19 0.05 -1.40 -0.16 116.97 120.65 3gfa h TYR 153 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3gfa h TYR 153 Cb 0.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 3gfa h TYR 153 CO 0.00 0.11 0.00 1.19 -1.05 0.00 0.00 178.16 178.41 3gfa n PHE 154 N -3.66 0.00 -2.40 4.88 3.72 -0.61 -2.32 117.46 117.06 3gfa n PHE 154 Ca -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 3gfa n PHE 154 Cb 0.23 -0.45 0.06 0.00 -0.94 0.00 0.00 39.48 38.37 3gfa n PHE 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gfa n ALA 155 N -1.45 3.21 0.04 4.37 0.00 -0.11 -3.22 120.51 123.35 3gfa n ALA 155 Ca 0.04 -2.95 -0.11 0.00 0.00 0.00 0.00 53.44 50.41 3gfa n ALA 155 Cb 0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 3gfa n ALA 155 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3gfa h TYR 156 N 1.88 -0.82 -0.47 0.00 3.20 -1.09 0.17 116.97 119.85 3gfa h TYR 156 Ca -0.03 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3gfa h TYR 156 Cb 1.45 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 3gfa h TYR 156 CO 0.53 -0.39 -0.18 0.00 -1.64 0.00 0.00 178.16 176.49 3gfa h ARG 157 N -0.42 0.95 -0.65 1.82 3.08 -1.90 -1.08 114.38 116.18 3gfa h ARG 157 Ca 0.08 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 3gfa h ARG 157 Cb 0.53 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3gfa h ARG 157 CO -0.29 1.06 0.15 0.93 -1.07 0.00 0.00 179.97 180.75 3gfa h GLU 158 N 0.79 1.05 -0.05 0.04 3.07 -1.81 -1.12 114.58 116.54 3gfa h GLU 158 Ca 0.11 -0.26 -0.23 0.00 -0.50 0.00 0.00 59.36 58.48 3gfa h GLU 158 Cb 0.74 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3gfa h GLU 158 CO 0.06 0.95 -0.89 -0.07 -1.40 0.00 0.00 179.01 177.66 3gfa h LEU 159 N 0.97 0.74 -1.13 1.33 3.38 -0.50 -1.09 115.31 119.02 3gfa h LEU 159 Ca 0.20 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3gfa h LEU 159 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3gfa h LEU 159 CO 0.00 1.34 0.27 0.00 0.09 0.00 0.00 178.44 180.14 3gfa h GLU 161 N 0.87 0.27 -0.94 0.00 4.81 -1.11 -1.26 114.58 117.23 3gfa h GLU 161 Ca 0.21 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3gfa h GLU 161 Cb 0.13 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3gfa h GLU 161 CO -0.02 0.43 0.59 2.35 -0.73 0.00 0.00 179.01 181.63 3gfa h TRP 162 N 0.07 1.23 0.00 0.92 7.01 -0.86 -1.85 115.95 122.47 3gfa h TRP 162 Ca 0.05 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.06 3gfa h TRP 162 Cb 0.29 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3gfa h TRP 162 CO 0.01 0.80 0.00 1.28 -2.79 0.00 0.00 178.44 177.75 3gfa n LEU 163 N -4.38 0.18 -3.66 0.65 4.77 0.42 -4.92 117.00 110.06 3gfa n LEU 163 Ca 0.11 0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 56.40 3gfa n LEU 163 Cb 0.04 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3gfa n LEU 163 CO 0.38 -0.15 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.06 3gfa n ASN 164 N -1.68 -1.58 -4.25 -1.43 5.15 -0.53 -4.99 115.26 105.94 3gfa n ASN 164 Ca 0.05 -0.78 -0.23 0.00 -0.60 0.00 0.00 54.58 53.03 3gfa n ASN 164 Cb 0.29 -4.26 -0.13 0.00 -0.53 0.00 0.00 39.78 35.16 3gfa n ASN 164 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3gfa s THR 165 N -3.59 1.55 -2.65 -0.44 -1.32 -0.85 -5.00 115.64 103.34 3gfa s THR 165 Ca 0.05 -1.41 0.23 0.00 -1.21 0.00 0.00 61.69 59.35 3gfa s THR 165 Cb -0.02 -1.41 0.12 0.00 -1.51 0.00 0.00 72.50 69.67 3gfa s THR 165 CO 0.80 -0.05 1.20 0.47 -2.21 0.00 0.00 174.62 174.83 3gfa n ASP 166 N 1.29 2.65 -4.84 8.08 8.00 -1.26 -4.73 116.55 125.73 3gfa n ASP 166 Ca -0.19 -1.82 -0.30 0.00 0.71 0.00 0.00 54.79 53.18 3gfa n ASP 166 Cb 0.54 0.17 0.07 0.00 -0.02 0.00 0.00 41.12 41.88 3gfa n ASP 166 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gfa s SER 167 N -2.18 4.88 -0.11 -2.24 0.01 -1.26 -4.98 113.70 107.82 3gfa s SER 167 Ca 0.25 1.23 -0.28 0.00 1.31 0.00 0.00 55.95 58.45 3gfa s SER 167 Cb 0.19 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 3gfa s SER 167 CO 0.40 -1.71 0.92 -1.58 0.41 0.00 0.00 173.24 171.68 3gfa s GLN 168 N -5.25 4.40 -0.18 12.44 0.74 -0.86 -4.90 119.66 126.06 3gfa s GLN 168 Ca 0.60 1.22 -0.29 0.00 0.05 0.00 0.00 55.36 56.94 3gfa s GLN 168 Cb -0.13 -3.54 -0.00 0.00 1.10 0.00 0.00 33.01 30.44 3gfa s GLN 168 CO 0.53 -0.26 1.12 -1.17 -0.55 0.00 0.00 175.29 174.96 3gfa s LEU 169 N 1.85 4.16 -0.25 3.68 2.96 -1.26 -0.35 118.68 129.46 3gfa s LEU 169 Ca 0.44 1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 55.87 3gfa s LEU 169 Cb -0.18 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.80 3gfa s LEU 169 CO 0.17 -0.67 -0.21 0.52 -1.32 0.00 0.00 176.35 174.84 3gfa n VAL 170 N 5.19 1.52 -3.64 1.68 0.31 -0.15 -4.94 118.33 118.30 3gfa n VAL 170 Ca 0.12 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3gfa n VAL 170 Cb 0.46 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 31.85 3gfa n VAL 170 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gfa s ALA 171 N -2.52 -2.13 0.23 3.52 0.00 -1.09 -4.86 121.76 114.92 3gfa s ALA 171 Ca -0.35 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.33 3gfa s ALA 171 Cb 0.10 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3gfa s ALA 171 CO 0.59 -1.04 -0.17 0.00 0.00 0.00 0.00 175.76 175.15 3gfa s ALA 172 N -2.58 2.29 -0.08 0.00 0.00 -0.47 -0.48 121.76 120.44 3gfa s ALA 172 Ca 0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 3gfa s ALA 172 Cb 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3gfa s ALA 172 CO -0.03 0.15 -0.03 -1.50 0.00 0.00 0.00 175.76 174.35 3gfa s ILE 173 N -2.77 0.61 0.07 0.00 2.07 0.41 -0.51 121.20 121.09 3gfa s ILE 173 Ca 0.25 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 3gfa s ILE 173 Cb -0.02 -0.70 -0.06 0.00 0.13 0.00 0.00 42.46 41.80 3gfa s ILE 173 CO 0.10 0.29 0.42 -0.44 -1.91 0.00 0.00 174.94 173.39 3gfa s SER 174 N 1.68 6.69 0.01 4.50 0.01 -0.22 -0.43 113.70 125.94 3gfa s SER 174 Ca 0.02 0.85 0.02 0.00 1.31 0.00 0.00 55.95 58.15 3gfa s SER 174 Cb -0.13 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 3gfa s SER 174 CO -0.05 0.19 -0.07 -0.76 0.41 0.00 0.00 173.24 172.96 3gfa s LEU 175 N -1.76 2.09 0.00 2.44 1.43 0.10 -1.10 118.68 121.89 3gfa s LEU 175 Ca 0.32 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3gfa s LEU 175 Cb -0.15 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.78 3gfa s LEU 175 CO 0.17 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3gfa n GLY 176 N 2.42 -0.98 3.68 -3.19 0.00 -0.92 -3.26 105.19 102.95 3gfa n GLY 176 Ca -0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3gfa n GLY 176 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gfa s TYR 177 N -2.00 3.48 0.63 1.61 2.02 -1.26 -0.22 117.35 121.61 3gfa s TYR 177 Ca 0.00 1.52 -0.17 0.00 -0.37 0.00 0.00 57.07 58.05 3gfa s TYR 177 Cb 0.00 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 3gfa s TYR 177 CO 0.00 -0.26 1.16 -2.14 -1.57 0.00 0.00 175.55 172.73 3gfa s PRO 178 N 2.19 2.84 -0.16 -1.71 0.02 -1.26 -0.71 135.00 136.21 3gfa s PRO 178 Ca 0.46 1.61 0.14 0.00 0.02 0.00 0.00 61.00 63.23 3gfa s PRO 178 Cb -0.18 -1.94 0.37 0.00 0.02 0.00 0.00 34.50 32.78 3gfa s PRO 178 CO 0.15 -1.26 1.19 -3.47 -0.33 0.00 0.00 177.00 173.29 3gfa n ASP 179 N -2.02 1.73 -3.55 2.53 2.03 0.22 -4.36 116.55 113.13 3gfa n ASP 179 Ca 0.12 -3.46 -0.11 0.00 0.52 0.00 0.00 54.79 51.86 3gfa n ASP 179 Cb 0.51 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 3gfa n ASP 179 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3gfa s GLU 180 N -2.73 1.20 -0.45 -0.67 -1.05 -1.26 -4.82 118.70 108.92 3gfa s GLU 180 Ca 0.35 -0.62 0.06 0.00 -0.15 0.00 0.00 54.97 54.60 3gfa s GLU 180 Cb 0.34 0.53 0.20 0.00 -0.44 0.00 0.00 34.13 34.76 3gfa s GLU 180 CO -0.05 -0.50 0.45 -1.91 0.95 0.00 0.00 175.26 174.20 3gfa n GLU 181 N -0.31 0.69 -2.01 -4.83 2.13 -1.26 -5.01 120.64 110.05 3gfa n GLU 181 Ca -0.16 -3.42 -0.37 0.00 0.66 0.00 0.00 57.16 53.87 3gfa n GLU 181 Cb 0.64 -1.61 0.02 0.00 0.27 0.00 0.00 31.44 30.76 3gfa n GLU 181 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3gfa s PRO 182 N -0.71 3.38 0.75 5.31 0.02 -1.26 -5.00 135.00 137.48 3gfa s PRO 182 Ca 0.33 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 3gfa s PRO 182 Cb 0.09 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.37 3gfa s PRO 182 CO -0.15 -0.93 1.08 -1.54 -0.33 0.00 0.00 177.00 175.13 3gfa s SER 183 N -1.20 4.80 0.25 2.53 1.04 -1.26 -4.93 113.70 114.92 3gfa s SER 183 Ca 0.69 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 58.55 3gfa s SER 183 Cb -0.34 -2.50 -0.14 0.00 0.10 0.00 0.00 66.02 63.14 3gfa s SER 183 CO 0.40 -1.84 1.28 -1.14 0.98 0.00 0.00 173.24 172.93 3gfa n ARG 184 N -3.39 1.79 -2.21 4.02 0.63 -1.26 -4.96 116.66 111.29 3gfa n ARG 184 Ca 0.08 0.63 -0.31 0.00 -0.92 0.00 0.00 57.85 57.34 3gfa n ARG 184 Cb 0.53 -2.20 -0.01 0.00 0.45 0.00 0.00 32.46 31.23 3gfa n ARG 184 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3gfa s ARG 185 N -0.86 3.74 0.46 -0.14 3.00 -1.26 -4.98 118.95 118.91 3gfa s ARG 185 Ca 0.65 0.76 -0.24 0.00 0.00 0.00 0.00 55.73 56.89 3gfa s ARG 185 Cb -0.68 -2.15 -0.08 0.00 0.00 0.00 0.00 34.95 32.04 3gfa s ARG 185 CO 0.54 -0.39 1.32 -2.30 0.00 0.00 0.00 175.30 174.48 3gfa n PRO 186 N -2.16 1.94 -4.01 3.54 -0.02 -1.26 -5.02 135.00 128.00 3gfa n PRO 186 Ca 0.05 0.69 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3gfa n PRO 186 Cb 0.54 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 3gfa n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gfa s ARG 187 N -2.44 0.31 0.81 -0.52 1.81 -1.26 -5.15 118.95 112.51 3gfa s ARG 187 Ca 0.64 -0.39 -0.14 0.00 -1.72 0.00 0.00 55.73 54.13 3gfa s ARG 187 Cb -0.47 -0.14 0.07 0.00 -0.45 0.00 0.00 34.95 33.96 3gfa s ARG 187 CO 0.56 0.03 1.14 1.28 -0.68 0.00 0.00 175.30 177.62 3gfa n LEU 188 N 2.28 4.09 -4.98 2.53 4.77 -1.26 -5.05 117.00 119.37 3gfa n LEU 188 Ca -0.18 0.58 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 3gfa n LEU 188 Cb 0.57 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3gfa n LEU 188 CO 0.23 -1.83 0.22 -1.10 -1.33 0.00 0.00 177.39 173.57 3gfa s GLN 189 N -4.01 2.87 0.22 3.23 -0.21 -1.26 -4.99 119.66 115.51 3gfa s GLN 189 Ca 0.73 -0.90 -0.09 0.00 0.02 0.00 0.00 55.36 55.11 3gfa s GLN 189 Cb -0.29 -2.66 0.33 0.00 1.00 0.00 0.00 33.01 31.39 3gfa s GLN 189 CO 0.52 -0.31 1.69 1.25 -2.12 0.00 0.00 175.29 176.31 3gfa h LEU 190 N 0.49 -0.09 -0.94 2.90 7.12 -1.99 -1.13 115.31 121.68 3gfa h LEU 190 Ca -0.43 0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.71 3gfa h LEU 190 Cb 1.27 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 3gfa h LEU 190 CO 0.51 -0.05 0.00 0.77 -0.13 0.00 0.00 178.44 179.55 3gfa h SER 191 N 0.21 0.00 0.74 1.25 4.64 -1.95 -1.25 113.55 117.19 3gfa h SER 191 Ca 0.34 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 3gfa h SER 191 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3gfa h SER 191 CO -0.47 0.00 -0.37 0.44 -0.87 0.00 0.00 176.83 175.56 3gfa h ASP 192 N 0.00 0.00 0.00 4.97 3.32 -1.59 -3.35 116.42 119.78 3gfa h ASP 192 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gfa h ASP 192 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3gfa h ASP 192 CO 0.00 0.37 0.00 1.33 -1.72 0.00 0.00 179.24 179.22 3gfa n VAL 193 N -3.62 0.01 -4.78 -1.35 0.24 -0.75 -5.01 118.33 103.07 3gfa n VAL 193 Ca -0.01 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.52 3gfa n VAL 193 Cb 0.48 1.00 -0.17 0.00 -1.47 0.00 0.00 33.84 33.69 3gfa n VAL 193 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gfa s THR 194 N -0.01 1.41 -0.04 3.34 2.01 -0.55 -5.10 115.64 116.70 3gfa s THR 194 Ca 0.00 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.39 3gfa s THR 194 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3gfa s THR 194 CO 0.00 0.42 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.51 3gfa s GLU 195 N 0.51 2.50 -0.19 4.92 2.12 -1.26 -4.79 118.70 122.50 3gfa s GLU 195 Ca -0.15 -0.70 -0.03 0.00 0.36 0.00 0.00 54.97 54.45 3gfa s GLU 195 Cb -0.16 -2.39 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 3gfa s GLU 195 CO 0.05 0.62 -0.07 -1.58 -0.54 0.00 0.00 175.26 173.74 3gfa s TRP 196 N -0.76 2.92 0.00 5.30 0.52 -1.26 -5.24 118.94 120.42 3gfa s TRP 196 Ca 0.12 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.36 3gfa s TRP 196 Cb -0.11 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 3gfa s TRP 196 CO 0.01 -0.46 0.29 0.54 0.02 0.00 0.00 176.95 177.36