#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e h LYS 2 N 0.00 0.00 -6.28 4.33 2.10 -2.05 -3.45 116.57 111.22 3g6e h LYS 2 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 3g6e h LYS 2 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3g6e h LYS 2 CO 0.00 0.25 1.04 -0.65 -2.00 0.00 0.00 179.45 178.09 3g6e s GLN 3 N -3.05 4.20 0.33 0.07 -0.21 -1.26 -4.94 119.66 114.80 3g6e s GLN 3 Ca -0.00 2.14 0.07 0.00 0.02 0.00 0.00 55.36 57.59 3g6e s GLN 3 Cb 0.08 -3.89 0.77 0.00 1.00 0.00 0.00 33.01 30.97 3g6e s GLN 3 CO 0.79 -0.80 1.82 -1.35 -2.12 0.00 0.00 175.29 173.63 3g6e h PRO 4 N 9.14 0.73 -0.59 2.91 0.11 -1.99 -1.68 132.00 140.62 3g6e h PRO 4 Ca -0.38 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3g6e h PRO 4 Cb 1.17 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3g6e h PRO 4 CO 0.95 0.48 0.24 -0.44 -0.21 0.00 0.00 178.00 179.02 3g6e h ASP 5 N 0.75 0.82 0.72 -2.05 5.19 -2.00 -2.09 116.42 117.76 3g6e h ASP 5 Ca 0.52 -0.17 -0.13 0.00 -0.62 0.00 0.00 57.03 56.63 3g6e h ASP 5 Cb 0.81 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 3g6e h ASP 5 CO -0.29 0.77 -0.62 0.11 -3.12 0.00 0.00 179.24 176.09 3g6e h LYS 6 N 0.82 0.00 -0.17 3.56 1.57 -1.74 -1.90 116.57 118.71 3g6e h LYS 6 Ca 0.20 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3g6e h LYS 6 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3g6e h LYS 6 CO -0.02 0.62 -0.12 1.96 -0.57 0.00 0.00 179.45 181.32 3g6e h GLN 7 N 0.00 0.38 -0.09 3.15 1.08 -1.11 -2.06 115.11 116.46 3g6e h GLN 7 Ca -0.01 -0.18 -0.14 0.00 -1.45 0.00 0.00 58.65 56.87 3g6e h GLN 7 Cb 1.14 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 3g6e h GLN 7 CO 0.08 0.72 -0.54 0.00 -0.95 0.00 0.00 178.83 178.14 3g6e h ARG 8 N 0.04 0.27 0.19 1.46 3.08 -1.39 -2.98 114.38 115.05 3g6e h ARG 8 Ca 0.03 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3g6e h ARG 8 Cb 0.63 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3g6e h ARG 8 CO 0.03 0.75 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.37 3g6e h LYS 9 N 0.21 -0.24 0.00 0.04 3.64 -1.31 -1.36 116.57 117.56 3g6e h LYS 9 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3g6e h LYS 9 Cb 1.02 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3g6e h LYS 9 CO 0.09 -0.08 -0.09 0.66 -2.27 0.00 0.00 179.45 177.76 3g6e h SER 10 N -0.35 0.00 0.15 4.20 4.64 -1.36 0.18 113.55 121.00 3g6e h SER 10 Ca -0.03 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.06 3g6e h SER 10 Cb 0.27 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3g6e h SER 10 CO 0.04 0.09 -1.07 1.56 -0.87 0.00 0.00 176.83 176.58 3g6e h GLN 11 N 0.00 0.32 0.00 4.77 4.20 -1.36 -2.83 115.11 120.21 3g6e h GLN 11 Ca -0.00 -0.55 -0.10 0.00 0.06 0.00 0.00 58.65 58.06 3g6e h GLN 11 Cb 0.22 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3g6e h GLN 11 CO 0.01 1.26 -0.48 0.00 -0.67 0.00 0.00 178.83 178.95 3g6e h ARG 12 N -0.28 0.00 -0.40 1.46 3.08 -0.97 -3.23 114.38 114.04 3g6e h ARG 12 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3g6e h ARG 12 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.80 3g6e h ARG 12 CO 0.15 0.48 0.00 0.54 -1.07 0.00 0.00 179.97 180.06 3g6e n ARG 13 N -3.45 3.10 -2.13 0.04 1.74 0.03 -5.02 116.66 110.97 3g6e n ARG 13 Ca 0.00 -2.52 -0.41 0.00 -0.77 0.00 0.00 57.85 54.15 3g6e n ARG 13 Cb 0.61 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3g6e n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6e s ALA 14 N -1.79 3.56 0.71 7.54 0.00 -1.07 -4.99 121.76 125.73 3g6e s ALA 14 Ca 0.36 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 3g6e s ALA 14 Cb 0.24 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3g6e s ALA 14 CO 0.16 -0.62 1.18 -2.14 0.00 0.00 0.00 175.76 174.33 3g6e s PRO 15 N -0.53 2.30 0.34 0.00 0.02 -1.26 -4.74 135.00 131.14 3g6e s PRO 15 Ca 0.56 1.65 0.13 0.00 0.02 0.00 0.00 61.00 63.36 3g6e s PRO 15 Cb -0.39 -1.86 1.09 0.00 0.02 0.00 0.00 34.50 33.35 3g6e s PRO 15 CO 0.43 -1.69 1.60 -0.07 -0.33 0.00 0.00 177.00 176.95 3g6e h LEU 16 N -0.24 0.15 -0.81 -5.54 3.38 -1.98 -0.05 115.31 110.22 3g6e h LEU 16 Ca -0.47 0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3g6e h LEU 16 Cb 1.28 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 3g6e h LEU 16 CO 0.51 -0.32 -0.51 1.12 0.09 0.00 0.00 178.44 179.32 3g6e h HIS 17 N 0.10 0.00 0.00 1.13 2.07 -2.02 -2.63 115.15 113.80 3g6e h HIS 17 Ca 0.73 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.25 3g6e h HIS 17 Cb 1.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.75 3g6e h HIS 17 CO -0.15 0.51 -0.11 0.39 -3.07 0.00 0.00 177.93 175.51 3g6e n GLU 18 N -3.66 0.11 0.00 5.12 1.02 -0.07 -3.35 120.64 119.81 3g6e n GLU 18 Ca -0.01 0.08 0.15 0.00 -0.02 0.00 0.00 57.16 57.36 3g6e n GLU 18 Cb 0.58 -1.62 0.75 0.00 -0.02 0.00 0.00 31.44 31.13 3g6e n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g6e n ARG 19 N -1.81 0.73 0.08 3.49 1.74 -0.99 -3.37 116.66 116.53 3g6e n ARG 19 Ca 0.06 -0.13 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 3g6e n ARG 19 Cb 0.38 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.54 3g6e n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g6e h HIS 20 N 0.31 0.35 0.00 -1.55 3.86 -1.67 -2.48 115.15 113.97 3g6e h HIS 20 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3g6e h HIS 20 Cb 0.25 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3g6e h HIS 20 CO 0.00 0.63 0.00 0.36 0.86 0.00 0.00 177.93 179.78 3g6e n LYS 21 N -4.06 0.09 0.03 2.45 2.85 -1.22 -2.42 118.16 115.89 3g6e n LYS 21 Ca -0.01 0.25 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 3g6e n LYS 21 Cb 0.46 -1.65 0.24 0.00 -0.65 0.00 0.00 35.03 33.43 3g6e n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3g6e n GLN 22 N -1.82 0.14 -1.06 -1.58 6.02 -0.94 -3.78 117.38 114.37 3g6e n GLN 22 Ca 0.04 0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 3g6e n GLN 22 Cb 0.25 -1.59 0.16 0.00 1.02 0.00 0.00 30.24 30.09 3g6e n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3g6e n VAL 23 N -1.80 2.72 -3.49 5.09 0.24 -1.01 -4.76 118.33 115.31 3g6e n VAL 23 Ca 0.05 -2.91 -0.38 0.00 -2.04 0.00 0.00 64.34 59.06 3g6e n VAL 23 Cb 0.39 -0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 3g6e n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3g6e s ARG 24 N -3.36 4.02 0.13 7.34 0.52 -1.25 -2.07 118.95 124.27 3g6e s ARG 24 Ca 0.49 0.34 0.06 0.00 -0.52 0.00 0.00 55.73 56.10 3g6e s ARG 24 Cb 0.42 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3g6e s ARG 24 CO 0.01 0.53 -0.15 0.00 0.02 0.00 0.00 175.30 175.71 3g6e s ALA 25 N -0.53 1.58 0.49 2.13 0.00 -0.51 -4.20 121.76 120.73 3g6e s ALA 25 Ca 0.22 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 3g6e s ALA 25 Cb -0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 3g6e s ALA 25 CO 0.11 0.14 1.16 -0.08 0.00 0.00 0.00 175.76 177.09 3g6e s THR 26 N -2.04 3.10 0.28 0.00 -1.32 -1.24 -1.50 115.64 112.93 3g6e s THR 26 Ca 0.09 0.78 -0.04 0.00 -1.21 0.00 0.00 61.69 61.32 3g6e s THR 26 Cb -0.05 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.52 3g6e s THR 26 CO 0.04 -0.05 0.53 -0.76 -2.21 0.00 0.00 174.62 172.16 3g6e s LEU 27 N -3.27 4.07 1.07 9.08 1.43 0.15 -1.08 118.68 130.14 3g6e s LEU 27 Ca 0.67 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 3g6e s LEU 27 Cb -0.27 -3.45 0.22 0.00 0.03 0.00 0.00 46.19 42.72 3g6e s LEU 27 CO 0.33 -0.19 1.11 -0.94 0.23 0.00 0.00 176.35 176.89 3g6e s SER 28 N -3.29 2.03 0.18 2.29 1.04 -0.95 -4.73 113.70 110.29 3g6e s SER 28 Ca 0.43 0.91 -0.13 0.00 0.48 0.00 0.00 55.95 57.64 3g6e s SER 28 Cb -0.11 -1.39 0.15 0.00 0.10 0.00 0.00 66.02 64.77 3g6e s SER 28 CO 0.31 -3.47 1.79 0.00 0.98 0.00 0.00 173.24 172.85 3g6e h ALA 29 N -2.13 0.69 -0.64 5.32 0.00 -1.99 -1.28 119.26 119.23 3g6e h ALA 29 Ca -0.51 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 3g6e h ALA 29 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3g6e h ALA 29 CO 0.49 -0.05 0.09 -0.44 0.00 0.00 0.00 179.25 179.34 3g6e h ASP 30 N 0.55 1.00 1.08 0.00 3.32 -1.98 -2.68 116.42 117.72 3g6e h ASP 30 Ca 0.23 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3g6e h ASP 30 Cb 0.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3g6e h ASP 30 CO -0.15 1.00 -0.67 -0.07 -1.72 0.00 0.00 179.24 177.63 3g6e h LEU 31 N 0.98 0.00 -0.59 1.55 3.38 -1.87 -2.19 115.31 116.57 3g6e h LEU 31 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3g6e h LEU 31 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3g6e h LEU 31 CO 0.01 0.67 -0.55 0.03 0.09 0.00 0.00 178.44 178.68 3g6e h ARG 32 N 0.00 0.44 -0.09 1.13 3.08 -1.10 -2.38 114.38 115.46 3g6e h ARG 32 Ca -0.01 -0.28 -0.22 0.00 0.07 0.00 0.00 59.98 59.54 3g6e h ARG 32 Cb 1.39 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.48 3g6e h ARG 32 CO 0.09 0.88 -0.82 1.49 -1.07 0.00 0.00 179.97 180.54 3g6e h GLU 33 N 0.34 0.71 -0.32 0.04 4.57 -1.47 -2.11 114.58 116.34 3g6e h GLU 33 Ca 0.00 -0.65 -0.16 0.00 -1.18 0.00 0.00 59.36 57.38 3g6e h GLU 33 Cb 1.08 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3g6e h GLU 33 CO 0.10 1.25 -0.42 1.49 -1.18 0.00 0.00 179.01 180.24 3g6e h GLU 34 N 0.41 0.81 -0.00 1.92 4.81 -1.37 -3.36 114.58 117.79 3g6e h GLU 34 Ca -0.08 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3g6e h GLU 34 Cb 1.46 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3g6e h GLU 34 CO 0.17 1.07 -0.52 0.66 -0.73 0.00 0.00 179.01 179.66 3g6e n TYR 35 N -4.04 0.00 -1.94 0.92 4.02 -0.90 -5.01 117.16 110.21 3g6e n TYR 35 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 3g6e n TYR 35 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.86 3g6e n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g6e n GLY 36 N 1.25 0.26 3.34 2.72 0.00 -0.79 -4.77 105.19 107.20 3g6e n GLY 36 Ca 0.02 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 3g6e n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g6e s GLN 37 N -4.00 1.32 -0.22 1.61 -0.21 -1.23 -5.07 119.66 111.86 3g6e s GLN 37 Ca 0.00 -1.61 0.02 0.00 0.02 0.00 0.00 55.36 53.78 3g6e s GLN 37 Cb 0.00 -0.96 -0.19 0.00 1.00 0.00 0.00 33.01 32.85 3g6e s GLN 37 CO 0.00 0.10 -0.08 -2.13 -2.12 0.00 0.00 175.29 171.06 3g6e n ARG 38 N -0.39 0.67 -4.40 2.91 0.63 -1.26 -4.39 116.66 110.44 3g6e n ARG 38 Ca -0.08 0.16 -0.20 0.00 -0.92 0.00 0.00 57.85 56.82 3g6e n ARG 38 Cb 0.61 -1.56 -0.10 0.00 0.45 0.00 0.00 32.46 31.86 3g6e n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3g6e s ASN 39 N -6.53 1.90 0.07 6.15 4.22 -1.26 -0.67 114.94 118.81 3g6e s ASN 39 Ca -0.30 -1.45 -0.12 0.00 -2.14 0.00 0.00 52.86 48.85 3g6e s ASN 39 Cb 0.08 0.17 0.01 0.00 1.28 0.00 0.00 41.25 42.79 3g6e s ASN 39 CO 0.65 -0.74 0.26 0.54 -2.04 0.00 0.00 177.10 175.77 3g6e s VAL 40 N -3.49 0.11 -0.28 3.54 0.11 -0.56 -4.84 120.40 114.98 3g6e s VAL 40 Ca 0.35 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 58.24 3g6e s VAL 40 Cb 0.07 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3g6e s VAL 40 CO 0.15 -0.48 1.20 -0.60 -3.33 0.00 0.00 175.10 172.04 3g6e s ARG 41 N -3.22 4.03 0.20 1.54 3.00 -1.25 -1.42 118.95 121.83 3g6e s ARG 41 Ca -0.00 1.25 -0.31 0.00 -1.00 0.00 0.00 55.73 55.67 3g6e s ARG 41 Cb 0.02 -3.80 -0.10 0.00 0.00 0.00 0.00 34.95 31.06 3g6e s ARG 41 CO -0.08 -0.96 1.54 0.08 0.00 0.00 0.00 175.30 175.89 3g6e s VAL 42 N 3.93 2.57 0.23 7.11 1.01 -0.88 -4.97 120.40 129.39 3g6e s VAL 42 Ca 0.51 0.43 0.11 0.00 0.00 0.00 0.00 61.98 63.03 3g6e s VAL 42 Cb -0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3g6e s VAL 42 CO 0.18 0.04 -0.15 0.20 0.00 0.00 0.00 175.10 175.38 3g6e s ASN 43 N 0.90 3.90 -0.35 3.32 0.01 -1.26 -4.99 114.94 116.47 3g6e s ASN 43 Ca 0.67 -0.80 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 3g6e s ASN 43 Cb -0.44 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 40.72 3g6e s ASN 43 CO 0.35 0.07 1.40 0.00 -1.51 0.00 0.00 177.10 177.41 3g6e s ALA 44 N -2.04 3.18 0.00 0.60 0.00 -1.26 -2.45 121.76 119.78 3g6e s ALA 44 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3g6e s ALA 44 Cb -0.07 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3g6e s ALA 44 CO 0.15 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 174.18 3g6e n GLY 45 N 4.77 1.37 3.78 0.00 0.00 -0.65 -4.99 105.19 109.47 3g6e n GLY 45 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3g6e n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 46 N -0.63 5.88 -0.15 1.61 1.01 -1.03 -4.54 116.67 118.83 3g6e s ASP 46 Ca 0.00 2.07 -0.09 0.00 0.71 0.00 0.00 52.55 55.24 3g6e s ASP 46 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3g6e s ASP 46 CO 0.00 -1.10 0.16 -0.89 0.21 0.00 0.00 175.17 173.55 3g6e s THR 47 N -1.91 5.43 0.07 -1.27 2.01 0.15 -0.77 115.64 119.35 3g6e s THR 47 Ca 0.70 0.26 0.03 0.00 0.31 0.00 0.00 61.69 63.00 3g6e s THR 47 Cb -0.21 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3g6e s THR 47 CO 0.26 0.53 -0.10 0.54 -0.69 0.00 0.00 174.62 175.17 3g6e s VAL 48 N -0.38 0.80 -0.09 3.82 0.11 0.16 -1.36 120.40 123.45 3g6e s VAL 48 Ca 0.13 -1.42 0.04 0.00 -2.93 0.00 0.00 61.98 57.80 3g6e s VAL 48 Cb -0.12 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3g6e s VAL 48 CO 0.02 -0.48 -0.24 -1.83 -3.33 0.00 0.00 175.10 169.25 3g6e s GLU 49 N -2.31 2.94 -0.24 1.54 -1.05 0.14 -1.69 118.70 118.04 3g6e s GLU 49 Ca -0.01 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 3g6e s GLU 49 Cb -0.06 -2.25 0.01 0.00 -0.44 0.00 0.00 34.13 31.39 3g6e s GLU 49 CO -0.00 0.20 1.07 0.08 0.95 0.00 0.00 175.26 177.56 3g6e s VAL 50 N 0.30 4.61 -0.13 1.83 1.01 -0.66 -0.90 120.40 126.45 3g6e s VAL 50 Ca -0.17 1.93 0.22 0.00 0.00 0.00 0.00 61.98 63.95 3g6e s VAL 50 Cb -0.17 -4.30 -0.33 0.00 0.00 0.00 0.00 36.38 31.58 3g6e s VAL 50 CO 0.08 -0.23 0.52 0.18 0.00 0.00 0.00 175.10 175.66 3g6e n LEU 51 N 6.46 0.10 0.00 3.92 4.77 -0.23 -0.28 117.00 131.74 3g6e n LEU 51 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3g6e n LEU 51 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3g6e n LEU 51 CO 0.54 0.03 -0.40 0.54 -1.33 0.00 0.00 177.39 176.76 3g6e n ARG 52 N -2.18 1.26 0.00 3.23 5.12 -1.17 -4.84 116.66 118.08 3g6e n ARG 52 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3g6e n ARG 52 Cb 0.55 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 3g6e n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g6e n GLY 53 N 2.86 -1.40 0.08 -0.13 0.00 -1.26 -4.76 105.19 100.57 3g6e n GLY 53 Ca 0.00 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.94 3g6e n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 54 N 0.00 0.67 -1.66 1.61 10.43 -1.26 -3.26 116.55 123.07 3g6e n ASP 54 Ca 0.00 0.44 0.09 0.00 2.57 0.00 0.00 54.79 57.89 3g6e n ASP 54 Cb 0.00 -0.52 0.37 0.00 1.84 0.00 0.00 41.12 42.81 3g6e n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3g6e n PHE 55 N -2.10 1.67 -1.68 1.24 3.01 -1.26 -5.00 117.46 113.35 3g6e n PHE 55 Ca 0.05 -0.66 -0.45 0.00 1.01 0.00 0.00 57.45 57.41 3g6e n PHE 55 Cb 0.42 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 3g6e n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g6e n ALA 56 N 0.90 1.49 0.00 4.37 0.00 -1.20 -2.11 120.51 123.96 3g6e n ALA 56 Ca 0.26 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3g6e n ALA 56 Cb 0.99 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3g6e n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 57 N 4.32 2.86 3.79 0.00 0.00 0.62 -5.00 105.19 111.77 3g6e n GLY 57 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 58 N -0.52 4.48 0.17 1.61 2.02 -0.90 -4.84 118.70 120.72 3g6e s GLU 58 Ca 0.00 1.15 0.07 0.00 0.02 0.00 0.00 54.97 56.21 3g6e s GLU 58 Cb 0.00 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3g6e s GLU 58 CO 0.00 0.37 0.03 -1.21 0.02 0.00 0.00 175.26 174.47 3g6e s GLU 59 N -1.85 2.52 0.00 1.61 2.02 -1.26 -1.65 118.70 120.08 3g6e s GLU 59 Ca 0.45 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3g6e s GLU 59 Cb -0.19 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.62 3g6e s GLU 59 CO 0.24 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.39 3g6e n GLY 60 N -0.16 0.59 3.82 -1.39 0.00 -0.68 -4.95 105.19 102.41 3g6e n GLY 60 Ca -0.09 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 3g6e n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6e s GLU 61 N -2.00 4.19 -0.32 1.61 2.12 -1.26 -0.67 118.70 122.37 3g6e s GLU 61 Ca 0.00 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 55.78 3g6e s GLU 61 Cb 0.00 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3g6e s GLU 61 CO 0.00 0.55 1.22 0.08 -0.54 0.00 0.00 175.26 176.57 3g6e s VAL 62 N -1.28 4.26 -0.06 3.70 1.01 0.05 -0.43 120.40 127.64 3g6e s VAL 62 Ca 0.34 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 3g6e s VAL 62 Cb -0.18 -4.27 -0.26 0.00 0.00 0.00 0.00 36.38 31.67 3g6e s VAL 62 CO 0.20 -0.51 0.58 0.40 0.00 0.00 0.00 175.10 175.77 3g6e h ILE 63 N 5.91 0.83 -3.11 2.22 1.08 -1.12 -1.73 117.51 121.59 3g6e h ILE 63 Ca -0.24 -2.55 -0.13 0.00 -0.39 0.00 0.00 64.86 61.55 3g6e h ILE 63 Cb 1.08 2.57 -0.21 0.00 -3.07 0.00 0.00 36.82 37.19 3g6e h ILE 63 CO 1.04 0.78 -0.33 0.21 -0.69 0.00 0.00 178.15 179.16 3g6e s ASN 64 N -6.82 -0.18 -0.20 1.72 2.47 -1.13 -4.92 114.94 105.88 3g6e s ASN 64 Ca -0.14 0.13 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 3g6e s ASN 64 Cb 0.07 0.35 0.06 0.00 -1.45 0.00 0.00 41.25 40.27 3g6e s ASN 64 CO 0.81 -0.37 -0.01 -0.69 -3.72 0.00 0.00 177.10 173.12 3g6e s VAL 65 N -1.07 0.91 -0.41 -5.21 1.01 -1.26 -0.78 120.40 113.59 3g6e s VAL 65 Ca -0.11 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3g6e s VAL 65 Cb -0.05 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.09 3g6e s VAL 65 CO 0.03 -0.10 0.28 -0.62 0.00 0.00 0.00 175.10 174.69 3g6e s ASP 66 N 1.69 5.95 0.22 3.32 2.15 -0.31 -4.95 116.67 124.74 3g6e s ASP 66 Ca -0.02 -1.05 -0.02 0.00 0.43 0.00 0.00 52.55 51.90 3g6e s ASP 66 Cb -0.17 -2.10 0.21 0.00 -0.30 0.00 0.00 42.92 40.55 3g6e s ASP 66 CO -0.07 -0.47 1.59 -0.07 -0.17 0.00 0.00 175.17 175.98 3g6e h LEU 67 N 8.57 0.61 -0.22 -1.34 3.38 -1.93 -1.03 115.31 123.35 3g6e h LEU 67 Ca -0.26 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.45 3g6e h LEU 67 Cb 1.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3g6e h LEU 67 CO 0.73 0.94 0.12 -0.78 0.09 0.00 0.00 178.44 179.55 3g6e h ASP 68 N 0.48 0.19 0.17 -0.43 3.58 -1.94 -2.72 116.42 115.75 3g6e h ASP 68 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3g6e h ASP 68 Cb 0.90 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.91 3g6e h ASP 68 CO 0.08 0.14 -0.43 0.29 -2.88 0.00 0.00 179.24 176.44 3g6e n LYS 69 N -4.98 0.77 -3.70 0.28 5.02 -1.24 -4.98 118.16 109.33 3g6e n LYS 69 Ca -0.03 -0.54 -0.25 0.00 -2.02 0.00 0.00 58.31 55.48 3g6e n LYS 69 Cb 0.05 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3g6e n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g6e n ALA 70 N -0.64 -1.55 -2.21 7.82 0.00 -0.45 -5.02 120.51 118.46 3g6e n ALA 70 Ca 0.10 0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 3g6e n ALA 70 Cb 0.38 -4.02 -0.10 0.00 0.00 0.00 0.00 19.45 15.72 3g6e n ALA 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3g6e s VAL 71 N -3.39 0.54 0.12 0.00 -7.23 -0.83 -4.68 120.40 104.94 3g6e s VAL 71 Ca 0.41 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.71 3g6e s VAL 71 Cb -0.20 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3g6e s VAL 71 CO 0.78 -0.54 -0.19 0.27 -0.31 0.00 0.00 175.10 175.11 3g6e s ILE 72 N -3.74 1.66 -0.24 -0.62 -4.36 -0.36 -1.16 121.20 112.38 3g6e s ILE 72 Ca 0.22 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 58.87 3g6e s ILE 72 Cb 0.06 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3g6e s ILE 72 CO 0.02 -0.20 0.07 -1.00 0.24 0.00 0.00 174.94 174.07 3g6e s HIS 73 N -1.57 3.12 0.03 1.37 3.76 0.04 -1.39 115.29 120.64 3g6e s HIS 73 Ca 0.09 -0.30 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3g6e s HIS 73 Cb -0.08 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 3g6e s HIS 73 CO 0.05 -0.24 -0.10 0.08 -0.85 0.00 0.00 174.74 173.67 3g6e s VAL 74 N 1.36 3.39 0.31 -0.90 1.01 -1.26 -0.49 120.40 123.81 3g6e s VAL 74 Ca 0.05 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3g6e s VAL 74 Cb -0.15 -2.48 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 3g6e s VAL 74 CO 0.04 0.33 1.47 -0.70 0.00 0.00 0.00 175.10 176.23 3g6e s GLU 75 N -1.57 4.20 0.00 2.72 2.12 0.43 -2.84 118.70 123.76 3g6e s GLU 75 Ca 0.17 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.93 3g6e s GLU 75 Cb -0.11 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3g6e s GLU 75 CO 0.08 -0.46 0.00 -0.25 -0.54 0.00 0.00 175.26 174.09 3g6e n ASP 76 N 1.45 0.00 -4.34 -1.70 8.00 -1.26 -4.62 116.55 114.08 3g6e n ASP 76 Ca 0.04 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.10 3g6e n ASP 76 Cb 0.40 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3g6e n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3g6e n VAL 77 N -2.00 4.32 -4.57 2.53 0.31 -1.13 -4.95 118.33 112.84 3g6e n VAL 77 Ca 0.00 -4.75 -0.28 0.00 -0.01 0.00 0.00 64.34 59.30 3g6e n VAL 77 Cb 0.00 -2.45 -0.11 0.00 -0.91 0.00 0.00 33.84 30.38 3g6e n VAL 77 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3g6e s THR 78 N 1.03 2.05 -0.03 2.52 -4.23 -1.26 -1.67 115.64 114.06 3g6e s THR 78 Ca 0.41 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3g6e s THR 78 Cb -0.01 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 3g6e s THR 78 CO -0.00 -0.02 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.17 3g6e s LEU 79 N -3.72 1.90 -0.25 4.79 1.43 0.14 -4.72 118.68 118.25 3g6e s LEU 79 Ca 0.35 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 3g6e s LEU 79 Cb 0.09 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 3g6e s LEU 79 CO 0.18 0.12 0.47 -0.70 0.23 0.00 0.00 176.35 176.66 3g6e s GLU 80 N -0.02 4.08 1.07 1.70 2.12 -1.26 -0.92 118.70 125.47 3g6e s GLU 80 Ca -0.01 0.26 -0.18 0.00 0.36 0.00 0.00 54.97 55.41 3g6e s GLU 80 Cb -0.08 -3.63 0.26 0.00 0.26 0.00 0.00 34.13 30.94 3g6e s GLU 80 CO 0.01 -0.28 1.06 1.63 -0.54 0.00 0.00 175.26 177.13 3g6e n LYS 81 N 5.31 -2.51 0.07 4.30 5.02 -0.09 -4.96 118.16 125.29 3g6e n LYS 81 Ca -0.05 -1.68 -0.11 0.00 -2.02 0.00 0.00 58.31 54.45 3g6e n LYS 81 Cb 0.50 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3g6e n LYS 81 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3g6e h THR 82 N -2.39 1.41 0.00 -0.18 2.02 -1.98 -3.14 112.91 108.65 3g6e h THR 82 Ca -0.38 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.45 3g6e h THR 82 Cb 1.14 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 3g6e h THR 82 CO 0.26 0.70 0.00 -2.24 0.37 0.00 0.00 175.52 174.60 3g6e h ASP 83 N 0.22 0.00 0.00 4.18 3.04 -2.04 -3.46 116.42 118.36 3g6e h ASP 83 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 3g6e h ASP 83 Cb 1.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.72 3g6e h ASP 83 CO 0.14 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.95 3g6e n GLY 84 N 0.34 1.12 3.75 7.15 0.00 -1.19 -5.10 105.19 111.25 3g6e n GLY 84 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3g6e n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6e s GLU 85 N -0.26 4.43 -0.51 1.61 2.12 -1.26 -4.72 118.70 120.11 3g6e s GLU 85 Ca 0.00 2.04 -0.18 0.00 0.36 0.00 0.00 54.97 57.20 3g6e s GLU 85 Cb 0.00 -3.16 0.07 0.00 0.26 0.00 0.00 34.13 31.30 3g6e s GLU 85 CO 0.00 -0.15 0.56 -1.21 -0.54 0.00 0.00 175.26 173.92 3g6e s GLU 86 N -0.77 3.06 -0.03 4.30 2.02 -1.26 -0.91 118.70 125.10 3g6e s GLU 86 Ca 0.52 -1.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 3g6e s GLU 86 Cb -0.36 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 29.68 3g6e s GLU 86 CO 0.42 -1.23 0.17 0.14 0.02 0.00 0.00 175.26 174.79 3g6e s VAL 87 N 2.29 5.43 0.37 2.63 -7.23 -0.10 -4.87 120.40 118.92 3g6e s VAL 87 Ca 0.10 -0.08 -0.27 0.00 -1.81 0.00 0.00 61.98 59.92 3g6e s VAL 87 Cb -0.22 -3.50 -0.09 0.00 0.56 0.00 0.00 36.38 33.13 3g6e s VAL 87 CO 0.09 0.39 1.30 -2.16 -0.31 0.00 0.00 175.10 174.41 3g6e s PRO 88 N -1.73 4.16 -0.42 4.82 0.04 -1.26 0.23 135.00 140.84 3g6e s PRO 88 Ca 0.24 2.17 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 3g6e s PRO 88 Cb -0.12 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.53 3g6e s PRO 88 CO 0.15 -0.33 0.46 0.50 0.04 0.00 0.00 177.00 177.82 3g6e s ARG 89 N -2.03 3.14 0.27 4.56 6.06 -0.67 -4.76 118.95 125.53 3g6e s ARG 89 Ca 0.53 -0.69 -0.31 0.00 -2.50 0.00 0.00 55.73 52.76 3g6e s ARG 89 Cb -0.38 -3.96 -0.12 0.00 0.06 0.00 0.00 34.95 30.55 3g6e s ARG 89 CO 0.50 -0.86 1.60 -2.30 -2.50 0.00 0.00 175.30 171.75 3g6e n PRO 90 N 5.67 2.63 -4.53 5.12 -0.02 -1.26 -4.73 135.00 137.88 3g6e n PRO 90 Ca -0.07 0.94 -0.31 0.00 -2.02 0.00 0.00 63.50 62.05 3g6e n PRO 90 Cb 0.47 -2.72 -0.12 0.00 -0.02 0.00 0.00 33.50 31.11 3g6e n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g6e s LEU 91 N -0.07 2.72 -0.01 2.45 1.43 -0.49 -4.92 118.68 119.80 3g6e s LEU 91 Ca 0.67 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 3g6e s LEU 91 Cb -0.52 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3g6e s LEU 91 CO 0.45 0.24 0.65 -0.62 0.23 0.00 0.00 176.35 177.29 3g6e s ASP 92 N -1.64 7.01 0.47 2.29 -1.08 -1.26 -1.22 116.67 121.24 3g6e s ASP 92 Ca 0.16 1.21 0.32 0.00 -0.52 0.00 0.00 52.55 53.72 3g6e s ASP 92 Cb -0.11 -2.39 1.62 0.00 -1.46 0.00 0.00 42.92 40.58 3g6e s ASP 92 CO 0.07 0.03 1.97 0.71 0.52 0.00 0.00 175.17 178.48 3g6e h THR 93 N 4.30 0.00 0.00 1.71 1.35 -1.85 -1.98 112.91 116.44 3g6e h THR 93 Ca -0.44 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.27 3g6e h THR 93 Cb 1.20 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3g6e h THR 93 CO 0.71 0.00 -0.15 -1.28 -0.25 0.00 0.00 175.52 174.55 3g6e h SER 94 N 0.00 0.00 -0.61 5.36 0.87 -1.92 -1.61 113.55 115.64 3g6e h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3g6e h SER 94 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3g6e h SER 94 CO 0.00 0.15 0.00 0.59 -0.53 0.00 0.00 176.83 177.04 3g6e n ASN 95 N -3.38 3.63 -4.25 6.23 3.02 -0.74 -4.95 115.26 114.82 3g6e n ASN 95 Ca -0.00 -2.12 -0.17 0.00 -0.03 0.00 0.00 54.58 52.25 3g6e n ASN 95 Cb 0.35 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.95 3g6e n ASN 95 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g6e s VAL 96 N -1.37 1.33 -0.03 2.41 0.11 -0.61 -1.07 120.40 121.17 3g6e s VAL 96 Ca 0.43 -1.80 0.02 0.00 -2.93 0.00 0.00 61.98 57.70 3g6e s VAL 96 Cb 0.24 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.49 3g6e s VAL 96 CO 0.26 -0.48 -0.07 -0.60 -3.33 0.00 0.00 175.10 170.88 3g6e s ARG 97 N -2.90 0.89 -0.15 1.54 3.52 -0.08 -3.59 118.95 118.18 3g6e s ARG 97 Ca 0.11 -0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 55.20 3g6e s ARG 97 Cb -0.03 -0.84 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 3g6e s ARG 97 CO 0.03 0.06 0.87 0.08 -0.81 0.00 0.00 175.30 175.53 3g6e s VAL 98 N 0.36 4.86 -0.23 7.11 1.01 -0.24 0.23 120.40 133.50 3g6e s VAL 98 Ca -0.05 1.73 0.09 0.00 0.00 0.00 0.00 61.98 63.74 3g6e s VAL 98 Cb -0.10 -4.18 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 3g6e s VAL 98 CO 0.00 0.03 -0.10 0.35 0.00 0.00 0.00 175.10 175.38 3g6e n THR 99 N 4.67 1.43 -3.82 3.92 -2.24 -0.46 -2.23 114.28 115.54 3g6e n THR 99 Ca 0.05 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 61.03 3g6e n THR 99 Cb 0.49 -1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 67.58 3g6e n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g6e s ASP 100 N -6.05 -0.15 0.21 3.42 -1.08 -1.14 -4.94 116.67 106.93 3g6e s ASP 100 Ca -0.24 0.27 0.06 0.00 -0.52 0.00 0.00 52.55 52.11 3g6e s ASP 100 Cb 0.08 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.83 3g6e s ASP 100 CO 0.69 -0.10 0.19 -0.76 0.52 0.00 0.00 175.17 175.70 3g6e s LEU 101 N -0.12 3.86 -0.46 -1.34 1.43 -1.26 -0.68 118.68 120.12 3g6e s LEU 101 Ca -0.02 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3g6e s LEU 101 Cb -0.02 -2.43 0.11 0.00 0.03 0.00 0.00 46.19 43.88 3g6e s LEU 101 CO 0.00 0.01 0.33 -0.62 0.23 0.00 0.00 176.35 176.30 3g6e s ASP 102 N -3.52 5.70 -0.59 2.29 -1.08 -1.26 -4.89 116.67 113.31 3g6e s ASP 102 Ca 0.32 -1.81 -0.00 0.00 -0.52 0.00 0.00 52.55 50.55 3g6e s ASP 102 Cb -0.09 -2.01 0.46 0.00 -1.46 0.00 0.00 42.92 39.82 3g6e s ASP 102 CO 0.25 -0.66 1.87 0.18 0.52 0.00 0.00 175.17 177.33 3g6e n LEU 103 N 4.92 7.12 0.18 -1.34 4.77 -1.26 -4.62 117.00 126.77 3g6e n LEU 103 Ca -0.09 -4.36 0.02 0.00 -0.03 0.00 0.00 56.01 51.56 3g6e n LEU 103 Cb 0.41 -0.85 0.33 0.00 -2.33 0.00 0.00 43.42 40.98 3g6e n LEU 103 CO 0.42 1.58 0.68 -0.33 -1.33 0.00 0.00 177.39 178.42 3g6e h GLU 104 N 2.00 0.00 -6.22 3.23 5.08 -2.01 -3.42 114.58 113.23 3g6e h GLU 104 Ca 0.56 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.37 3g6e h GLU 104 Cb 1.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 3g6e h GLU 104 CO 1.41 0.41 0.18 0.34 -1.00 0.00 0.00 179.01 180.35 3g6e s ASP 105 N -6.88 7.16 0.27 1.42 2.15 -1.26 -4.96 116.67 114.56 3g6e s ASP 105 Ca -0.02 1.39 0.10 0.00 0.43 0.00 0.00 52.55 54.45 3g6e s ASP 105 Cb 0.14 -2.47 0.35 0.00 -0.30 0.00 0.00 42.92 40.64 3g6e s ASP 105 CO 0.73 -0.10 1.61 -0.33 -0.17 0.00 0.00 175.17 176.91 3g6e h GLU 106 N 6.36 0.00 -0.06 4.34 5.08 -2.00 -3.07 114.58 125.23 3g6e h GLU 106 Ca -0.42 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.72 3g6e h GLU 106 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3g6e h GLU 106 CO 0.74 0.62 -0.85 0.87 -1.00 0.00 0.00 179.01 179.39 3g6e h LYS 107 N 0.00 0.51 -0.28 2.33 1.57 -1.96 -2.17 116.57 116.57 3g6e h LYS 107 Ca -0.01 -0.47 -0.16 0.00 -1.87 0.00 0.00 60.65 58.14 3g6e h LYS 107 Cb 1.11 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3g6e h LYS 107 CO 0.08 1.11 -0.48 -0.09 -0.57 0.00 0.00 179.45 179.50 3g6e h ARG 108 N 0.32 0.75 -0.43 3.15 2.43 -1.96 -1.87 114.38 116.76 3g6e h ARG 108 Ca -0.06 -0.43 -0.12 0.00 -0.81 0.00 0.00 59.98 58.55 3g6e h ARG 108 Cb 1.46 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 3g6e h ARG 108 CO 0.15 1.06 -0.20 1.49 -1.51 0.00 0.00 179.97 180.96 3g6e h GLU 109 N 0.59 0.90 -0.54 0.20 4.81 -1.58 -1.77 114.58 117.19 3g6e h GLU 109 Ca 0.03 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3g6e h GLU 109 Cb 1.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3g6e h GLU 109 CO 0.10 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.41 3g6e h ALA 110 N 0.83 0.95 -0.24 2.92 0.00 -1.33 -1.96 119.26 120.44 3g6e h ALA 110 Ca 0.10 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3g6e h ALA 110 Cb 0.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3g6e h ALA 110 CO 0.06 0.63 -0.53 -0.09 0.00 0.00 0.00 179.25 179.32 3g6e h ARG 111 N 0.87 0.69 -0.14 0.00 2.43 -1.27 -2.66 114.38 114.30 3g6e h ARG 111 Ca 0.16 -0.43 -0.14 0.00 -0.81 0.00 0.00 59.98 58.76 3g6e h ARG 111 Cb 0.53 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3g6e h ARG 111 CO 0.03 1.05 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.93 3g6e h LEU 112 N 0.53 0.44 0.00 3.80 3.38 -1.17 -3.26 115.31 119.03 3g6e h LEU 112 Ca 0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3g6e h LEU 112 Cb 1.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3g6e h LEU 112 CO 0.11 0.89 -0.50 -0.62 0.09 0.00 0.00 178.44 178.41 3g6e n GLU 113 N -3.95 0.12 -3.09 1.13 1.02 -0.75 -4.77 120.64 110.35 3g6e n GLU 113 Ca -0.02 0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 3g6e n GLU 113 Cb 0.58 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3g6e n GLU 113 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3g6e s SER 114 N -3.49 7.17 0.18 1.62 1.04 -1.01 -4.99 113.70 114.22 3g6e s SER 114 Ca 0.09 1.46 0.24 0.00 0.48 0.00 0.00 55.95 58.23 3g6e s SER 114 Cb 0.16 -2.43 0.40 0.00 0.10 0.00 0.00 66.02 64.24 3g6e s SER 114 CO 0.69 0.13 1.40 1.05 0.98 0.00 0.00 173.24 177.50 3g6e h GLU 115 N 3.90 0.00 0.01 4.02 -0.00 -1.90 -3.36 114.58 117.25 3g6e h GLU 115 Ca -0.48 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 58.65 3g6e h GLU 115 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 3g6e h GLU 115 CO 0.65 0.00 -1.12 -0.44 -0.00 0.00 0.00 179.01 178.10 3g6e h ASP 116 N 0.00 0.04 -3.08 3.06 3.32 -1.94 -3.47 116.42 114.34 3g6e h ASP 116 Ca 0.00 -0.04 -0.47 0.00 0.02 0.00 0.00 57.03 56.53 3g6e h ASP 116 Cb 0.80 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.20 3g6e h ASP 116 CO 0.00 1.03 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.25 3g6e s ASP 117 N -6.66 2.63 0.12 6.45 -1.08 -1.26 -5.17 116.67 111.70 3g6e s ASP 117 Ca -0.00 -1.16 0.09 0.00 -0.52 0.00 0.00 52.55 50.96 3g6e s ASP 117 Cb 0.09 -0.14 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 3g6e s ASP 117 CO 0.83 -0.33 -0.22 -0.94 0.52 0.00 0.00 175.17 175.03 3g6e s SER 118 N -3.40 2.80 0.00 -0.34 1.04 -1.26 -4.68 113.70 107.85 3g6e s SER 118 Ca 0.28 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3g6e s SER 118 Cb 0.03 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3g6e s SER 118 CO 0.11 0.07 0.51 0.00 0.98 0.00 0.00 173.24 174.91