#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqg s LEU 2 N 0.00 2.12 0.02 4.03 0.20 -1.26 -1.83 118.68 121.96 3fqg s LEU 2 Ca 0.00 -0.51 0.06 0.00 0.69 0.00 0.00 54.13 54.37 3fqg s LEU 2 Cb 0.00 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.34 3fqg s LEU 2 CO 0.00 0.23 -0.17 -0.13 -0.29 0.00 0.00 176.35 175.99 3fqg s ARG 3 N -0.05 1.20 0.06 1.98 3.00 -0.42 -5.00 118.95 119.71 3fqg s ARG 3 Ca -0.07 -0.75 0.09 0.00 0.00 0.00 0.00 55.73 55.01 3fqg s ARG 3 Cb -0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 34.95 33.55 3fqg s ARG 3 CO 0.05 0.32 -0.26 -1.21 0.00 0.00 0.00 175.30 174.20 3fqg s GLU 4 N -0.88 1.68 -0.13 3.54 2.02 -1.26 -0.91 118.70 122.76 3fqg s GLU 4 Ca 0.05 -1.13 -0.00 0.00 0.02 0.00 0.00 54.97 53.90 3fqg s GLU 4 Cb -0.08 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 32.28 3fqg s GLU 4 CO 0.01 0.48 -0.07 0.12 0.02 0.00 0.00 175.26 175.82 3fqg s PHE 5 N -0.85 1.56 -0.20 1.61 5.36 -0.53 -4.98 117.98 119.94 3fqg s PHE 5 Ca 0.12 -0.84 -0.11 0.00 -0.96 0.00 0.00 56.93 55.13 3fqg s PHE 5 Cb -0.10 -1.27 -0.05 0.00 -0.34 0.00 0.00 43.02 41.26 3fqg s PHE 5 CO 0.03 -0.55 0.19 0.45 -1.46 0.00 0.00 175.22 173.88 3fqg s SER 6 N 1.68 6.24 0.27 6.13 0.15 -1.26 -0.18 113.70 126.74 3fqg s SER 6 Ca 0.04 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.92 3fqg s SER 6 Cb -0.13 -2.12 0.35 0.00 -1.71 0.00 0.00 66.02 62.41 3fqg s SER 6 CO -0.08 0.12 1.94 -0.26 1.20 0.00 0.00 173.24 176.15 3fqg h PHE 7 N 6.94 1.14 0.00 3.44 0.04 -1.71 -3.05 116.94 123.74 3fqg h PHE 7 Ca -0.40 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3fqg h PHE 7 Cb 1.16 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.93 3fqg h PHE 7 CO 0.61 0.73 -0.26 0.66 -0.60 0.00 0.00 178.31 179.45 3fqg n TYR 8 N -4.39 0.17 1.21 -0.55 4.01 -1.26 -3.32 117.16 113.04 3fqg n TYR 8 Ca 0.10 0.05 0.13 0.00 -0.16 0.00 0.00 57.90 58.02 3fqg n TYR 8 Cb 0.03 -0.48 0.47 0.00 -0.31 0.00 0.00 39.34 39.06 3fqg n TYR 8 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3fqg n ASP 9 N -1.66 0.53 -4.69 7.72 8.00 -1.15 -4.87 116.55 120.42 3fqg n ASP 9 Ca 0.06 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 3fqg n ASP 9 Cb 0.36 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 3fqg n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fqg s VAL 10 N -2.68 2.97 0.60 2.53 1.01 -1.21 -4.98 120.40 118.64 3fqg s VAL 10 Ca 0.21 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 3fqg s VAL 10 Cb 0.19 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3fqg s VAL 10 CO 0.55 -0.00 1.27 -2.84 0.00 0.00 0.00 175.10 174.08 3fqg s PRO 11 N 2.66 2.86 -0.83 2.72 0.02 -1.26 -4.90 135.00 136.27 3fqg s PRO 11 Ca 0.75 2.01 -0.25 0.00 0.02 0.00 0.00 61.00 63.52 3fqg s PRO 11 Cb -0.41 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 3fqg s PRO 11 CO 0.33 -1.34 1.71 -2.14 -0.33 0.00 0.00 177.00 175.22 3fqg s PRO 12 N -3.24 2.90 0.40 5.54 0.02 -1.26 -4.95 135.00 134.41 3fqg s PRO 12 Ca 0.78 -0.23 0.07 0.00 0.02 0.00 0.00 61.00 61.65 3fqg s PRO 12 Cb -0.35 -4.81 -0.06 0.00 0.02 0.00 0.00 34.50 29.30 3fqg s PRO 12 CO 0.39 -2.75 0.12 0.00 -0.33 0.00 0.00 177.00 174.42 3fqg s ALA 13 N 8.00 3.44 0.58 -1.55 0.00 -1.26 -5.12 121.76 125.85 3fqg s ALA 13 Ca 0.58 -2.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.22 3fqg s ALA 13 Cb -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3fqg s ALA 13 CO 0.05 -0.13 1.12 -1.58 0.00 0.00 0.00 175.76 175.23 3fqg s HIS 14 N -2.62 2.65 0.21 0.00 2.46 -1.26 -4.96 115.29 111.77 3fqg s HIS 14 Ca 0.39 1.55 -0.32 0.00 0.47 0.00 0.00 55.06 57.14 3fqg s HIS 14 Cb 0.05 -3.25 -0.12 0.00 -0.13 0.00 0.00 32.58 29.12 3fqg s HIS 14 CO 0.21 -1.62 1.71 1.55 -2.47 0.00 0.00 174.74 174.12 3fqg n VAL 15 N -1.66 0.02 -1.71 0.89 3.14 -1.26 -4.87 118.33 112.88 3fqg n VAL 15 Ca 0.11 -0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.13 3fqg n VAL 15 Cb 0.51 -1.94 0.07 0.00 -1.06 0.00 0.00 33.84 31.42 3fqg n VAL 15 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3fqg s PRO 16 N 1.12 2.52 0.19 1.45 0.04 -1.26 -4.97 135.00 134.09 3fqg s PRO 16 Ca 0.75 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.37 3fqg s PRO 16 Cb -0.52 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 3fqg s PRO 16 CO 0.33 -1.57 1.38 -1.25 0.04 0.00 0.00 177.00 175.93 3fqg s PRO 17 N -3.56 4.33 -0.13 0.56 0.04 -1.26 -4.77 135.00 130.21 3fqg s PRO 17 Ca 0.78 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.99 3fqg s PRO 17 Cb -0.32 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.05 3fqg s PRO 17 CO 0.40 -0.36 -0.20 0.08 0.04 0.00 0.00 177.00 176.95 3fqg s VAL 18 N 0.36 1.90 0.74 -0.36 1.01 -1.26 -0.76 120.40 122.03 3fqg s VAL 18 Ca 0.60 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3fqg s VAL 18 Cb -0.39 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3fqg s VAL 18 CO 0.37 0.52 1.08 -0.94 0.00 0.00 0.00 175.10 176.13 3fqg s SER 19 N 0.81 4.89 0.02 3.32 1.04 -0.52 -4.98 113.70 118.29 3fqg s SER 19 Ca -0.08 1.75 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 3fqg s SER 19 Cb -0.16 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 3fqg s SER 19 CO -0.01 -1.78 1.68 -0.70 0.98 0.00 0.00 173.24 173.42 3fqg s GLU 20 N -4.91 4.19 0.08 4.02 2.12 -1.26 -4.62 118.70 118.32 3fqg s GLU 20 Ca 0.60 2.31 -0.31 0.00 0.36 0.00 0.00 54.97 57.93 3fqg s GLU 20 Cb -0.16 -3.79 -0.09 0.00 0.26 0.00 0.00 34.13 30.35 3fqg s GLU 20 CO 0.55 -0.79 1.78 -2.14 -0.54 0.00 0.00 175.26 174.11 3fqg s PRO 21 N 3.31 4.16 -0.23 4.30 0.02 -1.26 -4.85 135.00 140.44 3fqg s PRO 21 Ca 0.75 2.48 -0.06 0.00 0.02 0.00 0.00 61.00 64.20 3fqg s PRO 21 Cb -0.38 -3.68 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 3fqg s PRO 21 CO 0.32 -0.82 0.01 -0.51 -0.33 0.00 0.00 177.00 175.68 3fqg s LEU 22 N 2.98 3.17 0.11 -5.54 1.43 -0.14 -4.83 118.68 115.86 3fqg s LEU 22 Ca 0.79 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 3fqg s LEU 22 Cb -0.43 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.88 3fqg s LEU 22 CO 0.35 -0.02 1.52 -0.70 0.23 0.00 0.00 176.35 177.73 3fqg s GLU 23 N 1.52 4.25 -0.01 1.70 2.12 -1.26 -0.50 118.70 126.52 3fqg s GLU 23 Ca 0.06 2.23 0.07 0.00 0.36 0.00 0.00 54.97 57.69 3fqg s GLU 23 Cb -0.15 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.81 3fqg s GLU 23 CO 0.00 -0.58 0.22 0.44 -0.54 0.00 0.00 175.26 174.80 3fqg n ILE 24 N 4.21 0.00 -3.55 -3.70 -5.35 0.21 -4.93 119.36 106.25 3fqg n ILE 24 Ca 0.14 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.31 3fqg n ILE 24 Cb 0.41 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.87 3fqg n ILE 24 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fqg s ALA 25 N -2.20 -1.83 0.17 -1.28 0.00 -1.15 -5.04 121.76 110.43 3fqg s ALA 25 Ca -0.01 0.93 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3fqg s ALA 25 Cb 0.05 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3fqg s ALA 25 CO 0.31 -0.74 0.20 0.00 0.00 0.00 0.00 175.76 175.53 3fqg s TYR 27 N -4.03 -0.23 0.23 0.00 -0.85 -0.71 -4.66 117.35 107.11 3fqg s TYR 27 Ca 0.24 -0.17 0.11 0.00 -0.52 0.00 0.00 57.07 56.72 3fqg s TYR 27 Cb 0.05 0.68 -0.05 0.00 0.38 0.00 0.00 41.96 43.02 3fqg s TYR 27 CO 0.03 -1.13 -0.21 -1.12 -1.52 0.00 0.00 175.55 171.61 3fqg s SER 28 N -2.89 3.38 -0.05 -0.18 0.01 0.37 -0.34 113.70 113.99 3fqg s SER 28 Ca 0.10 -0.96 0.07 0.00 1.31 0.00 0.00 55.95 56.46 3fqg s SER 28 Cb -0.05 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 3fqg s SER 28 CO 0.04 0.04 -0.25 -0.76 0.41 0.00 0.00 173.24 172.72 3fqg s LEU 29 N -3.14 2.06 1.04 2.44 1.43 0.38 0.00 118.68 122.90 3fqg s LEU 29 Ca 0.25 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 3fqg s LEU 29 Cb -0.06 -1.35 0.22 0.00 0.03 0.00 0.00 46.19 45.04 3fqg s LEU 29 CO 0.12 0.26 1.23 -0.94 0.23 0.00 0.00 176.35 177.25 3fqg s SER 30 N -0.28 2.40 0.53 2.29 1.04 -0.22 -1.83 113.70 117.62 3fqg s SER 30 Ca 0.00 0.47 0.29 0.00 0.48 0.00 0.00 55.95 57.19 3fqg s SER 30 Cb -0.13 -0.64 1.51 0.00 0.10 0.00 0.00 66.02 66.86 3fqg s SER 30 CO 0.02 -3.20 2.09 0.08 0.98 0.00 0.00 173.24 173.22 3fqg h ARG 31 N -1.95 0.00 -0.75 4.02 0.11 -1.91 -0.28 114.38 113.62 3fqg h ARG 31 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3fqg h ARG 31 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3fqg h ARG 31 CO 0.39 0.10 0.00 -0.40 0.10 0.00 0.00 179.97 180.17 3fqg n ASP 32 N -3.57 3.37 -1.06 0.08 5.75 -1.26 -4.59 116.55 115.27 3fqg n ASP 32 Ca -0.02 -2.45 -0.13 0.00 -0.01 0.00 0.00 54.79 52.18 3fqg n ASP 32 Cb 0.23 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 39.70 3fqg n ASP 32 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fqg n ARG 33 N 0.36 -0.94 -2.54 0.11 5.12 -0.12 -4.99 116.66 113.66 3fqg n ARG 33 Ca 0.14 0.95 -0.42 0.00 -1.93 0.00 0.00 57.85 56.59 3fqg n ARG 33 Cb 0.71 -5.03 -0.03 0.00 -1.16 0.00 0.00 32.46 26.95 3fqg n ARG 33 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3fqg s GLU 34 N -3.23 4.39 0.13 5.56 0.41 -1.26 -4.71 118.70 119.98 3fqg s GLU 34 Ca 0.00 1.58 -0.31 0.00 -0.41 0.00 0.00 54.97 55.83 3fqg s GLU 34 Cb 0.00 -3.54 -0.08 0.00 -1.78 0.00 0.00 34.13 28.73 3fqg s GLU 34 CO 0.00 -0.38 1.40 -1.17 -0.49 0.00 0.00 175.26 174.61 3fqg s LEU 35 N 2.05 4.38 -0.11 1.80 0.20 -1.26 -1.06 118.68 124.67 3fqg s LEU 35 Ca 0.53 2.37 0.02 0.00 0.69 0.00 0.00 54.13 57.75 3fqg s LEU 35 Cb -0.23 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 41.96 3fqg s LEU 35 CO 0.21 -0.65 -0.16 -0.76 -0.29 0.00 0.00 176.35 174.70 3fqg s LEU 36 N 0.90 1.78 -1.34 -0.68 1.43 0.10 -4.94 118.68 115.93 3fqg s LEU 36 Ca 0.64 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3fqg s LEU 36 Cb -0.38 -1.15 0.12 0.00 0.03 0.00 0.00 46.19 44.82 3fqg s LEU 36 CO 0.32 0.03 2.04 0.18 0.23 0.00 0.00 176.35 179.14 3fqg n LEU 37 N 4.18 6.89 -3.84 1.79 4.77 -1.26 -0.48 117.00 129.05 3fqg n LEU 37 Ca -0.19 -4.53 -0.05 0.00 -0.03 0.00 0.00 56.01 51.21 3fqg n LEU 37 Cb 0.51 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 3fqg n LEU 37 CO 0.24 1.39 0.72 1.51 -1.33 0.00 0.00 177.39 179.92 3fqg s ASP 38 N 1.45 -0.03 -0.49 -1.43 1.47 -1.26 -5.01 116.67 111.37 3fqg s ASP 38 Ca 0.43 -0.76 0.03 0.00 1.18 0.00 0.00 52.55 53.43 3fqg s ASP 38 Cb 0.12 0.60 0.57 0.00 -0.34 0.00 0.00 42.92 43.87 3fqg s ASP 38 CO -0.03 -1.18 1.87 0.47 0.68 0.00 0.00 175.17 176.98 3fqg n ASP 39 N -1.15 4.85 -0.01 2.11 8.00 -1.26 -2.76 116.55 126.32 3fqg n ASP 39 Ca -0.05 -3.70 0.22 0.00 0.71 0.00 0.00 54.79 51.97 3fqg n ASP 39 Cb 0.60 -0.83 0.72 0.00 -0.02 0.00 0.00 41.12 41.58 3fqg n ASP 39 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3fqg h SER 40 N 1.36 0.00 -0.46 -2.24 4.64 -1.95 -1.92 113.55 112.98 3fqg h SER 40 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3fqg h SER 40 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3fqg h SER 40 CO 1.15 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.40 3fqg n LYS 41 N -4.19 2.53 -2.29 4.77 4.76 -1.26 -4.70 118.16 117.78 3fqg n LYS 41 Ca 0.11 -2.35 -0.42 0.00 -2.87 0.00 0.00 58.31 52.78 3fqg n LYS 41 Cb 0.67 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3fqg n LYS 41 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3fqg s LEU 42 N -1.34 4.32 0.44 -0.35 2.96 -0.73 -4.26 118.68 119.72 3fqg s LEU 42 Ca 0.40 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 56.43 3fqg s LEU 42 Cb 0.23 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 3fqg s LEU 42 CO 0.31 -0.65 0.16 -0.94 -1.32 0.00 0.00 176.35 173.90 3fqg s SER 43 N 1.62 4.33 -0.06 3.68 1.04 -1.26 -3.87 113.70 119.17 3fqg s SER 43 Ca 0.62 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.86 3fqg s SER 43 Cb -0.30 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.51 3fqg s SER 43 CO 0.26 -0.61 -0.10 -0.31 0.98 0.00 0.00 173.24 173.46 3fqg s TYR 44 N -2.66 2.84 0.09 5.02 1.51 0.15 -0.95 117.35 123.35 3fqg s TYR 44 Ca 0.36 -0.06 -0.31 0.00 -1.01 0.00 0.00 57.07 56.05 3fqg s TYR 44 Cb 0.04 -1.68 -0.08 0.00 -0.11 0.00 0.00 41.96 40.13 3fqg s TYR 44 CO 0.20 0.26 1.44 -0.47 -1.11 0.00 0.00 175.55 175.87 3fqg s TYR 45 N -0.75 3.05 -0.04 2.71 5.04 -0.60 0.02 117.35 126.79 3fqg s TYR 45 Ca 0.11 0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 55.55 3fqg s TYR 45 Cb -0.11 -3.74 0.03 0.00 0.35 0.00 0.00 41.96 38.50 3fqg s TYR 45 CO 0.01 -2.68 0.07 -0.47 -1.34 0.00 0.00 175.55 171.14 3fqg s TYR 46 N 1.53 0.00 0.07 4.97 5.04 -0.35 -4.90 117.35 123.72 3fqg s TYR 46 Ca 0.66 0.27 -0.33 0.00 -2.44 0.00 0.00 57.07 55.24 3fqg s TYR 46 Cb -0.37 -0.33 -0.12 0.00 0.35 0.00 0.00 41.96 41.50 3fqg s TYR 46 CO 0.30 -0.16 1.79 -0.35 -1.34 0.00 0.00 175.55 175.79 3fqg n PRO 47 N 4.77 2.47 -1.42 4.97 -0.04 -1.26 -4.39 135.00 140.11 3fqg n PRO 47 Ca -0.15 0.90 -0.31 0.00 -0.04 0.00 0.00 63.50 63.90 3fqg n PRO 47 Cb 0.50 -2.75 0.07 0.00 -0.04 0.00 0.00 33.50 31.28 3fqg n PRO 47 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3fqg s PRO 48 N 2.68 2.58 0.27 0.54 0.04 -1.26 -4.98 135.00 134.86 3fqg s PRO 48 Ca 0.84 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 3fqg s PRO 48 Cb -0.59 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 31.89 3fqg s PRO 48 CO 0.41 -1.39 1.54 -2.30 0.04 0.00 0.00 177.00 175.31 3fqg n PRO 49 N -3.31 2.48 -1.72 0.56 -0.02 -1.26 -4.96 135.00 126.77 3fqg n PRO 49 Ca 0.08 0.88 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 3fqg n PRO 49 Cb 0.53 -2.63 0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3fqg n PRO 49 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fqg n LEU 50 N 2.29 5.69 -0.73 2.45 4.77 -1.26 -2.46 117.00 127.75 3fqg n LEU 50 Ca 0.10 0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 56.86 3fqg n LEU 50 Cb 0.35 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 3fqg n LEU 50 CO 0.63 -0.93 -0.09 0.49 -1.33 0.00 0.00 177.39 176.16 3fqg n PHE 51 N -1.61 0.00 -1.67 -1.77 3.72 0.16 -5.00 117.46 111.29 3fqg n PHE 51 Ca 0.14 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.10 3fqg n PHE 51 Cb 0.47 -2.11 -0.01 0.00 -0.94 0.00 0.00 39.48 36.88 3fqg n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fqg n SER 52 N -0.35 2.46 -4.54 4.37 7.64 -1.03 -4.63 113.62 117.55 3fqg n SER 52 Ca -0.10 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.54 3fqg n SER 52 Cb 0.41 -1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.12 3fqg n SER 52 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fqg s ASP 53 N -0.17 6.37 0.00 6.43 -1.08 -1.26 -0.95 116.67 126.01 3fqg s ASP 53 Ca 0.60 -0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.73 3fqg s ASP 53 Cb -0.62 -2.33 1.21 0.00 -1.46 0.00 0.00 42.92 39.72 3fqg s ASP 53 CO 0.58 -0.72 1.70 0.18 0.52 0.00 0.00 175.17 177.43 3fqg n LEU 54 N 6.23 0.00 0.12 -1.34 4.77 -0.13 -2.33 117.00 124.32 3fqg n LEU 54 Ca -0.01 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 3fqg n LEU 54 Cb 0.48 -0.14 0.25 0.00 -2.33 0.00 0.00 43.42 41.68 3fqg n LEU 54 CO 0.52 -0.04 0.66 0.78 -1.33 0.00 0.00 177.39 177.98 3fqg h ASN 55 N 0.00 0.00 -2.43 -1.43 2.35 -1.88 -3.39 115.58 108.80 3fqg h ASN 55 Ca 0.00 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 3fqg h ASN 55 Cb 0.10 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.51 3fqg h ASN 55 CO 0.00 0.02 1.14 0.41 -1.65 0.00 0.00 177.43 177.36 3fqg n THR 56 N -2.48 0.49 0.00 2.81 -1.04 -0.98 -1.59 114.28 111.48 3fqg n THR 56 Ca 0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3fqg n THR 56 Cb 0.47 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 3fqg n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fqg n GLY 57 N 4.33 0.68 3.72 3.41 0.00 -1.26 -5.02 105.19 111.04 3fqg n GLY 57 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3fqg n GLY 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fqg s PHE 58 N -2.21 3.65 -2.49 1.61 5.36 -0.62 0.08 117.98 123.36 3fqg s PHE 58 Ca 0.00 1.47 0.22 0.00 -0.96 0.00 0.00 56.93 57.65 3fqg s PHE 58 Cb 0.00 -2.92 0.29 0.00 -0.34 0.00 0.00 43.02 40.06 3fqg s PHE 58 CO 0.00 0.11 1.28 -0.35 -1.46 0.00 0.00 175.22 174.80 3fqg n PRO 59 N 3.54 2.24 0.18 10.12 -0.04 -1.26 -4.92 135.00 144.86 3fqg n PRO 59 Ca 0.01 -2.02 0.02 0.00 -0.04 0.00 0.00 63.50 61.47 3fqg n PRO 59 Cb 0.51 -1.45 0.35 0.00 -0.04 0.00 0.00 33.50 32.86 3fqg n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3fqg h ASN 60 N 4.22 0.00 -0.63 3.54 2.35 -1.80 -1.98 115.58 121.28 3fqg h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fqg h ASN 60 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3fqg h ASN 60 CO 0.00 0.39 0.00 0.54 -1.65 0.00 0.00 177.43 176.71 3fqg n ARG 61 N -4.07 2.99 -3.68 0.81 1.74 0.11 -4.91 116.66 109.65 3fqg n ARG 61 Ca -0.02 -2.50 -0.37 0.00 -0.77 0.00 0.00 57.85 54.20 3fqg n ARG 61 Cb 0.42 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 3fqg n ARG 61 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3fqg s PHE 62 N -1.45 3.26 -0.54 -1.55 5.36 -0.74 -0.70 117.98 121.62 3fqg s PHE 62 Ca 0.46 0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.52 3fqg s PHE 62 Cb 0.26 -2.28 0.14 0.00 -0.34 0.00 0.00 43.02 40.80 3fqg s PHE 62 CO 0.27 -0.03 0.35 -1.01 -1.46 0.00 0.00 175.22 173.33 3fqg s HIS 63 N 1.25 3.46 0.36 10.12 3.76 -0.25 -4.99 115.29 129.00 3fqg s HIS 63 Ca 0.07 -2.65 -0.27 0.00 -0.15 0.00 0.00 55.06 52.06 3fqg s HIS 63 Cb -0.14 -3.19 -0.12 0.00 1.11 0.00 0.00 32.58 30.24 3fqg s HIS 63 CO 0.06 -0.88 1.26 -2.30 -0.85 0.00 0.00 174.74 172.03 3fqg n PRO 64 N 3.84 2.02 -1.61 8.40 -0.02 -1.26 -4.12 135.00 142.25 3fqg n PRO 64 Ca 0.04 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 3fqg n PRO 64 Cb 0.39 -2.31 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3fqg n PRO 64 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fqg s PRO 65 N -1.94 2.99 0.02 0.52 0.04 -1.26 -4.91 135.00 130.45 3fqg s PRO 65 Ca 0.57 0.92 -0.37 0.00 0.04 0.00 0.00 61.00 62.16 3fqg s PRO 65 Cb -0.56 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 31.82 3fqg s PRO 65 CO 0.61 -1.05 1.46 1.17 0.04 0.00 0.00 177.00 179.23 3fqg n LYS 66 N -3.10 1.29 0.12 4.56 4.81 -1.26 -4.93 118.16 119.66 3fqg n LYS 66 Ca 0.07 0.47 -0.24 0.00 -0.87 0.00 0.00 58.31 57.74 3fqg n LYS 66 Cb 0.54 -2.14 -0.15 0.00 0.02 0.00 0.00 35.03 33.30 3fqg n LYS 66 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3fqg h SER 67 N 5.37 0.80 -3.94 3.14 0.02 -2.02 -3.46 113.55 113.45 3fqg h SER 67 Ca -0.47 -0.91 -0.52 0.00 -0.84 0.00 0.00 61.79 59.05 3fqg h SER 67 Cb 1.32 -0.26 0.07 0.00 0.14 0.00 0.00 62.40 63.68 3fqg h SER 67 CO 0.83 1.64 0.58 -1.81 -1.14 0.00 0.00 176.83 176.93 3fqg s ASP 68 N -7.45 6.41 0.58 3.07 1.01 -1.26 -5.00 116.67 114.02 3fqg s ASP 68 Ca -0.10 2.56 -0.18 0.00 0.71 0.00 0.00 52.55 55.54 3fqg s ASP 68 Cb 0.04 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3fqg s ASP 68 CO 0.93 -0.77 1.16 -2.16 0.21 0.00 0.00 175.17 174.53 3fqg s PRO 69 N -2.21 3.10 0.18 8.23 0.04 -1.26 -5.02 135.00 138.05 3fqg s PRO 69 Ca 0.56 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 63.03 3fqg s PRO 69 Cb -0.36 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 3fqg s PRO 69 CO 0.46 -1.06 0.76 -0.51 0.04 0.00 0.00 177.00 176.69 3fqg s ASP 70 N -1.82 7.31 0.42 6.66 1.01 -1.26 -4.97 116.67 124.02 3fqg s ASP 70 Ca 0.74 1.59 -0.25 0.00 0.71 0.00 0.00 52.55 55.34 3fqg s ASP 70 Cb -0.26 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 3fqg s ASP 70 CO 0.32 0.17 1.22 -2.16 0.21 0.00 0.00 175.17 174.93 3fqg s PRO 71 N -1.32 3.92 0.26 8.23 0.04 -1.26 -4.65 135.00 140.22 3fqg s PRO 71 Ca 0.37 1.94 0.24 0.00 0.04 0.00 0.00 61.00 63.59 3fqg s PRO 71 Cb -0.22 -2.63 0.97 0.00 0.04 0.00 0.00 34.50 32.67 3fqg s PRO 71 CO 0.25 -0.46 1.73 1.51 0.04 0.00 0.00 177.00 180.07 3fqg n ILE 72 N -0.07 0.79 -0.11 0.56 0.13 -1.26 -2.66 119.36 116.74 3fqg n ILE 72 Ca 0.05 0.16 0.25 0.00 -1.10 0.00 0.00 62.75 62.11 3fqg n ILE 72 Cb 0.46 -1.09 0.71 0.00 -0.84 0.00 0.00 39.64 38.88 3fqg n ILE 72 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 3fqg h SER 73 N 0.00 0.00 -0.36 9.51 4.64 -1.96 -1.39 113.55 123.99 3fqg h SER 73 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3fqg h SER 73 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 3fqg h SER 73 CO 0.00 0.00 0.10 0.40 -0.87 0.00 0.00 176.83 176.46 3fqg h ILE 74 N 0.00 0.86 -0.51 0.95 2.04 -1.90 0.26 117.51 119.21 3fqg h ILE 74 Ca 0.36 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 66.05 3fqg h ILE 74 Cb 1.44 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3fqg h ILE 74 CO -0.00 0.04 0.00 0.58 0.00 0.00 0.00 178.15 178.77 3fqg h VAL 75 N 0.24 1.26 -0.26 1.67 2.07 -1.49 0.07 116.25 119.80 3fqg h VAL 75 Ca 0.17 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.62 3fqg h VAL 75 Cb 0.17 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3fqg h VAL 75 CO -0.19 0.38 0.12 0.50 0.02 0.00 0.00 177.57 178.40 3fqg h LYS 76 N 0.77 0.25 -0.28 1.57 3.64 -1.34 -1.06 116.57 120.13 3fqg h LYS 76 Ca 0.15 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3fqg h LYS 76 Cb 0.52 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3fqg h LYS 76 CO 0.03 0.17 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.86 3fqg h ASP 77 N 0.26 -0.28 -0.13 4.20 3.32 -0.14 0.94 116.42 124.58 3fqg h ASP 77 Ca 0.11 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3fqg h ASP 77 Cb 0.04 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3fqg h ASP 77 CO -0.09 -0.10 -0.08 0.58 -1.72 0.00 0.00 179.24 177.83 3fqg h VAL 78 N -0.01 0.75 -0.60 -1.35 2.07 -0.66 0.28 116.25 116.73 3fqg h VAL 78 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 3fqg h VAL 78 Cb 0.22 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3fqg h VAL 78 CO -0.29 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.46 3fqg h LEU 79 N -0.08 0.83 -0.59 2.57 3.38 -0.93 -1.89 115.31 118.59 3fqg h LEU 79 Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fqg h LEU 79 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3fqg h LEU 79 CO -0.18 0.78 0.34 0.24 0.09 0.00 0.00 178.44 179.70 3fqg h MET 80 N 0.83 0.81 -0.84 1.13 2.86 -0.37 0.12 114.93 119.47 3fqg h MET 80 Ca 0.20 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3fqg h MET 80 Cb 0.21 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3fqg h MET 80 CO -0.02 0.60 0.56 1.15 1.06 0.00 0.00 176.91 180.26 3fqg h THR 81 N 0.80 1.21 -0.00 2.22 2.02 -0.20 -1.79 112.91 117.17 3fqg h THR 81 Ca 0.21 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3fqg h THR 81 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 3fqg h THR 81 CO -0.04 0.21 -0.17 0.29 0.37 0.00 0.00 175.52 176.17 3fqg n LYS 82 N -4.41 0.40 -2.33 6.66 5.02 -0.73 -4.94 118.16 117.83 3fqg n LYS 82 Ca 0.10 -0.15 -0.08 0.00 -2.02 0.00 0.00 58.31 56.16 3fqg n LYS 82 Cb 0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3fqg n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fqg n GLY 83 N 1.38 0.14 3.69 0.72 0.00 0.07 -5.01 105.19 106.19 3fqg n GLY 83 Ca 0.11 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3fqg n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fqg s ILE 84 N -2.56 5.28 0.33 -0.61 1.01 0.19 -5.01 121.20 119.82 3fqg s ILE 84 Ca 0.05 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 3fqg s ILE 84 Cb -0.02 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 3fqg s ILE 84 CO 0.06 0.33 1.10 -1.58 0.00 0.00 0.00 174.94 174.86 3fqg s GLN 85 N 0.87 4.45 -0.29 2.79 2.00 -1.26 -4.47 119.66 123.74 3fqg s GLN 85 Ca 0.15 1.74 0.01 0.00 -2.00 0.00 0.00 55.36 55.26 3fqg s GLN 85 Cb -0.14 -2.96 0.06 0.00 0.80 0.00 0.00 33.01 30.78 3fqg s GLN 85 CO 0.05 0.06 -0.05 -1.64 -0.50 0.00 0.00 175.29 173.21 3fqg s MET 86 N -1.82 2.23 -0.14 1.67 -1.94 -1.26 -4.99 119.30 113.04 3fqg s MET 86 Ca 0.49 -1.39 0.15 0.00 -1.71 0.00 0.00 55.69 53.23 3fqg s MET 86 Cb -0.29 -3.05 0.34 0.00 2.01 0.00 0.00 34.83 33.84 3fqg s MET 86 CO 0.37 -0.64 1.17 0.09 -0.01 0.00 0.00 175.02 176.01 3fqg n ASN 87 N 4.49 1.72 -5.00 3.03 3.02 -1.26 -5.00 115.26 116.25 3fqg n ASN 87 Ca -0.12 -3.27 -0.19 0.00 -0.03 0.00 0.00 54.58 50.98 3fqg n ASN 87 Cb 0.42 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3fqg n ASN 87 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3fqg s SER 88 N -2.80 5.32 0.08 6.41 1.04 -1.26 -5.04 113.70 117.45 3fqg s SER 88 Ca 0.32 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.95 3fqg s SER 88 Cb 0.31 -0.21 -0.23 0.00 0.10 0.00 0.00 66.02 66.00 3fqg s SER 88 CO -0.04 -1.00 1.19 0.28 0.98 0.00 0.00 173.24 174.65 3fqg h SER 89 N 0.50 0.89 -4.36 7.02 0.02 -1.11 -3.40 113.55 113.10 3fqg h SER 89 Ca -0.36 -0.72 -0.45 0.00 -0.84 0.00 0.00 61.79 59.42 3fqg h SER 89 Cb 1.28 -0.27 -0.23 0.00 0.14 0.00 0.00 62.40 63.32 3fqg h SER 89 CO 0.45 1.53 -0.79 -0.36 -1.14 0.00 0.00 176.83 176.51 3fqg s PHE 90 N -3.29 1.31 -0.11 3.45 0.40 -0.66 -0.65 117.98 118.43 3fqg s PHE 90 Ca -0.10 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3fqg s PHE 90 Cb 0.07 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.88 3fqg s PHE 90 CO 0.92 0.06 -0.03 -1.17 0.70 0.00 0.00 175.22 175.70 3fqg s LEU 91 N -1.42 0.98 0.00 -0.37 2.96 -0.12 -1.22 118.68 119.49 3fqg s LEU 91 Ca 0.01 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3fqg s LEU 91 Cb -0.09 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 45.98 3fqg s LEU 91 CO 0.02 -0.18 0.40 1.07 -1.32 0.00 0.00 176.35 176.35 3fqg n THR 92 N 5.03 0.00 -2.97 3.68 5.66 -0.61 -1.70 114.28 123.38 3fqg n THR 92 Ca -0.10 -0.48 -0.40 0.00 -3.05 0.00 0.00 64.05 60.02 3fqg n THR 92 Cb 0.49 0.49 -0.05 0.00 -1.55 0.00 0.00 70.33 69.71 3fqg n THR 92 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3fqg s TRP 93 N -5.48 3.72 0.28 1.09 0.52 -1.26 -1.97 118.94 115.84 3fqg s TRP 93 Ca 0.08 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.66 3fqg s TRP 93 Cb -0.02 -2.84 0.64 0.00 -1.15 0.00 0.00 33.47 30.10 3fqg s TRP 93 CO 0.06 0.24 1.61 -0.09 0.02 0.00 0.00 176.95 178.78 3fqg h ARG 94 N 5.82 0.08 -0.25 4.98 1.12 -1.38 -1.05 114.38 123.70 3fqg h ARG 94 Ca -0.43 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.50 3fqg h ARG 94 Cb 1.21 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 3fqg h ARG 94 CO 0.72 0.05 0.24 0.78 -3.11 0.00 0.00 179.97 178.65 3fqg h GLY 95 N 0.08 0.00 1.93 2.80 0.00 -1.93 -0.16 103.07 105.79 3fqg h GLY 95 Ca 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.72 3fqg h GLY 95 CO -0.79 0.00 -0.72 1.41 0.00 0.00 0.00 176.54 176.44 3fqg h LEU 96 N 0.00 0.00 -0.13 3.11 3.38 -1.59 -2.11 115.31 117.97 3fqg h LEU 96 Ca 0.12 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 3fqg h LEU 96 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3fqg h LEU 96 CO -0.00 0.67 -0.90 0.40 0.09 0.00 0.00 178.44 178.70 3fqg h ILE 97 N 0.00 1.30 -0.69 1.22 1.08 -1.09 -3.02 117.51 116.31 3fqg h ILE 97 Ca -0.02 -2.15 0.11 0.00 -0.39 0.00 0.00 64.86 62.41 3fqg h ILE 97 Cb 1.52 2.20 -0.08 0.00 -3.07 0.00 0.00 36.82 37.39 3fqg h ILE 97 CO 0.08 0.67 0.29 0.74 -0.69 0.00 0.00 178.15 179.24 3fqg h THR 98 N 0.42 0.74 -0.76 -0.27 2.02 -1.20 0.29 112.91 114.16 3fqg h THR 98 Ca -0.08 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 66.98 3fqg h THR 98 Cb 1.53 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3fqg h THR 98 CO 0.17 0.09 0.46 0.11 0.37 0.00 0.00 175.52 176.72 3fqg h LYS 99 N 0.47 0.85 -0.17 6.66 1.57 -1.38 0.10 116.57 124.66 3fqg h LYS 99 Ca 0.36 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 3fqg h LYS 99 Cb 0.47 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3fqg h LYS 99 CO -0.34 0.56 -0.08 0.82 -0.57 0.00 0.00 179.45 179.84 3fqg h ILE 100 N 0.87 1.31 -0.71 1.86 2.04 -1.24 -2.17 117.51 119.47 3fqg h ILE 100 Ca 0.32 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3fqg h ILE 100 Cb 0.10 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3fqg h ILE 100 CO -0.15 0.34 0.20 -0.03 0.00 0.00 0.00 178.15 178.51 3fqg h MET 101 N 0.05 1.12 -0.16 2.37 4.05 -0.68 -3.02 114.93 118.66 3fqg h MET 101 Ca 0.04 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3fqg h MET 101 Cb 0.56 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3fqg h MET 101 CO 0.03 0.96 0.00 0.00 0.23 0.00 0.00 176.91 178.13 3fqg h ALA 103 N 4.53 0.79 0.00 0.00 0.00 -1.25 0.35 119.26 123.69 3fqg h ALA 103 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fqg h ALA 103 Cb 0.88 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fqg h ALA 103 CO 0.00 -0.26 0.01 -1.35 0.00 0.00 0.00 179.25 177.66 3fqg h PRO 104 N 0.33 0.00 0.10 0.00 0.11 -1.81 -3.01 132.00 127.72 3fqg h PRO 104 Ca 0.33 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.09 3fqg h PRO 104 Cb 0.47 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3fqg h PRO 104 CO -0.38 0.00 -1.96 1.28 -0.21 0.00 0.00 178.00 176.74 3fqg n LEU 105 N -2.55 2.32 -3.78 2.35 4.77 0.09 -4.74 117.00 115.45 3fqg n LEU 105 Ca -0.02 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 3fqg n LEU 105 Cb 0.06 -0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 40.14 3fqg n LEU 105 CO 0.13 0.77 -0.20 1.51 -1.33 0.00 0.00 177.39 178.28 3fqg s ASP 106 N -6.86 3.84 0.00 -1.43 3.84 -1.05 -4.96 116.67 110.06 3fqg s ASP 106 Ca -0.19 -2.98 0.08 0.00 -0.00 0.00 0.00 52.55 49.45 3fqg s ASP 106 Cb 0.07 -1.25 0.42 0.00 -1.38 0.00 0.00 42.92 40.79 3fqg s ASP 106 CO 0.78 -0.22 1.11 -0.81 -0.00 0.00 0.00 175.17 176.03 3fqg n PRO 107 N 3.09 0.13 0.09 2.11 -0.04 -1.26 -2.10 135.00 137.02 3fqg n PRO 107 Ca 0.11 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 3fqg n PRO 107 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3fqg n PRO 107 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3fqg n ARG 108 N -1.25 0.61 -2.90 0.54 0.63 -1.26 -4.23 116.66 108.81 3fqg n ARG 108 Ca 0.04 0.09 -0.44 0.00 -0.92 0.00 0.00 57.85 56.63 3fqg n ARG 108 Cb 0.06 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 3fqg n ARG 108 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3fqg s ASN 109 N -5.28 6.51 0.24 6.15 3.04 -0.89 -5.02 114.94 119.69 3fqg s ASN 109 Ca -0.01 -1.76 -0.16 0.00 0.04 0.00 0.00 52.86 50.97 3fqg s ASN 109 Cb 0.10 -2.41 -0.08 0.00 -1.54 0.00 0.00 41.25 37.32 3fqg s ASN 109 CO 0.81 -1.18 0.68 -1.00 -3.04 0.00 0.00 177.10 173.37 3fqg s HIS 110 N 3.12 3.53 0.19 0.43 3.76 -1.26 -4.88 115.29 120.19 3fqg s HIS 110 Ca 0.30 1.23 -0.20 0.00 -0.15 0.00 0.00 55.06 56.24 3fqg s HIS 110 Cb -0.08 -2.51 0.04 0.00 1.11 0.00 0.00 32.58 31.14 3fqg s HIS 110 CO -0.05 0.27 0.59 1.67 -0.85 0.00 0.00 174.74 176.37 3fqg s TRP 111 N -1.69 -0.30 -0.10 1.40 1.48 -0.77 -5.02 118.94 113.95 3fqg s TRP 111 Ca 0.46 -0.01 -0.04 0.00 -1.06 0.00 0.00 56.10 55.45 3fqg s TRP 111 Cb -0.14 0.51 0.05 0.00 -1.16 0.00 0.00 33.47 32.74 3fqg s TRP 111 CO 0.19 -0.94 0.21 -2.00 -4.06 0.00 0.00 176.95 170.36 3fqg s GLU 112 N -3.83 0.14 0.17 3.25 2.12 -1.26 -1.50 118.70 117.79 3fqg s GLU 112 Ca 0.06 0.55 0.10 0.00 0.36 0.00 0.00 54.97 56.04 3fqg s GLU 112 Cb -0.02 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 3fqg s GLU 112 CO -0.05 -0.22 -0.19 0.95 -0.54 0.00 0.00 175.26 175.21 3fqg s THR 113 N 1.68 2.68 -0.10 -1.70 -4.23 0.48 -4.71 115.64 109.74 3fqg s THR 113 Ca -0.05 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3fqg s THR 113 Cb -0.11 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 3fqg s THR 113 CO -0.07 -0.05 0.09 -0.31 -0.54 0.00 0.00 174.62 173.74 3fqg s TYR 114 N -1.50 3.44 0.00 3.99 1.51 0.14 -0.25 117.35 124.68 3fqg s TYR 114 Ca 0.21 0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 3fqg s TYR 114 Cb -0.09 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3fqg s TYR 114 CO 0.11 0.64 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.61 3fqg s LEU 115 N -1.03 2.06 -0.12 -1.29 1.02 -0.54 -1.13 118.68 117.65 3fqg s LEU 115 Ca 0.15 -0.20 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 3fqg s LEU 115 Cb -0.12 -0.34 0.03 0.00 0.02 0.00 0.00 46.19 45.79 3fqg s LEU 115 CO 0.04 0.04 0.31 -0.69 0.02 0.00 0.00 176.35 176.07 3fqg s VAL 116 N -0.38 -0.01 -0.15 -1.59 1.01 -0.70 -1.09 120.40 117.50 3fqg s VAL 116 Ca 0.01 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 3fqg s VAL 116 Cb -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3fqg s VAL 116 CO -0.00 0.01 0.73 -0.32 0.00 0.00 0.00 175.10 175.52 3fqg s MET 117 N 0.41 4.30 0.06 2.72 1.75 -1.26 -0.44 119.30 126.84 3fqg s MET 117 Ca -0.02 0.85 -0.31 0.00 -1.25 0.00 0.00 55.69 54.96 3fqg s MET 117 Cb -0.04 -3.54 -0.07 0.00 2.84 0.00 0.00 34.83 34.02 3fqg s MET 117 CO -0.02 -0.20 1.47 0.34 -0.65 0.00 0.00 175.02 175.96 3fqg s ASP 118 N 1.08 6.77 0.09 1.11 2.15 -0.50 -0.61 116.67 126.77 3fqg s ASP 118 Ca 0.35 2.29 0.13 0.00 0.43 0.00 0.00 52.55 55.75 3fqg s ASP 118 Cb -0.17 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.48 3fqg s ASP 118 CO 0.13 -0.75 1.41 -0.81 -0.17 0.00 0.00 175.17 174.98 3fqg n PRO 119 N 4.98 0.06 -0.10 4.34 -0.04 -1.26 -1.04 135.00 141.94 3fqg n PRO 119 Ca 0.13 0.40 -0.19 0.00 -0.04 0.00 0.00 63.50 63.81 3fqg n PRO 119 Cb 0.42 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 3fqg n PRO 119 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3fqg n THR 120 N -1.74 1.12 0.07 0.52 -1.04 -1.26 -4.72 114.28 107.22 3fqg n THR 120 Ca 0.02 -0.34 0.02 0.00 -2.04 0.00 0.00 64.05 61.71 3fqg n THR 120 Cb 0.12 -1.57 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 3fqg n THR 120 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3fqg h SER 121 N -0.48 0.00 0.00 8.00 4.64 -1.96 -3.48 113.55 120.28 3fqg h SER 121 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fqg h SER 121 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3fqg h SER 121 CO -0.23 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3fqg n GLY 122 N 1.33 0.37 3.78 -0.77 0.00 -0.21 -4.96 105.19 104.72 3fqg n GLY 122 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3fqg n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fqg s ILE 123 N -1.76 4.64 -0.41 -0.61 1.01 -1.26 -4.78 121.20 118.04 3fqg s ILE 123 Ca 0.00 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.86 3fqg s ILE 123 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3fqg s ILE 123 CO 0.00 0.48 0.97 -0.63 0.00 0.00 0.00 174.94 175.76 3fqg s ILE 124 N -0.74 4.49 -0.19 2.92 1.01 0.18 -1.41 121.20 127.46 3fqg s ILE 124 Ca 0.34 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 62.01 3fqg s ILE 124 Cb -0.21 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 3fqg s ILE 124 CO 0.22 -0.68 0.13 -0.04 0.00 0.00 0.00 174.94 174.56 3fqg s MET 125 N 3.71 4.11 -0.02 2.79 -1.94 0.41 -0.94 119.30 127.42 3fqg s MET 125 Ca 0.40 -0.21 0.06 0.00 -1.71 0.00 0.00 55.69 54.22 3fqg s MET 125 Cb -0.11 -3.39 -0.01 0.00 2.01 0.00 0.00 34.83 33.33 3fqg s MET 125 CO 0.22 0.35 -0.19 -1.64 -0.01 0.00 0.00 175.02 173.76 3fqg s MET 126 N 0.22 1.55 0.24 2.03 -1.94 -0.69 -1.71 119.30 119.00 3fqg s MET 126 Ca 0.09 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.22 3fqg s MET 126 Cb -0.11 -1.48 0.01 0.00 2.01 0.00 0.00 34.83 35.26 3fqg s MET 126 CO -0.01 0.39 0.57 -1.83 -0.01 0.00 0.00 175.02 174.13 3fqg s GLU 127 N -0.41 1.57 0.15 2.03 -1.05 -0.28 -4.29 118.70 116.42 3fqg s GLU 127 Ca 0.06 -1.03 0.01 0.00 -0.15 0.00 0.00 54.97 53.86 3fqg s GLU 127 Cb -0.08 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 3fqg s GLU 127 CO -0.00 -0.68 0.30 -1.21 0.95 0.00 0.00 175.26 174.62 3fqg s GLU 128 N -3.94 3.47 0.00 -4.83 2.02 -1.26 0.28 118.70 114.45 3fqg s GLU 128 Ca 0.14 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3fqg s GLU 128 Cb -0.03 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3fqg s GLU 128 CO 0.04 0.50 0.00 0.54 0.02 0.00 0.00 175.26 176.36 3fqg n ARG 129 N -0.37 2.73 -0.25 1.61 1.74 -1.26 -4.77 116.66 116.08 3fqg n ARG 129 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3fqg n ARG 129 Cb 0.53 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 3fqg n ARG 129 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3fqg n THR 130 N -1.51 0.00 0.00 0.55 5.66 -1.26 -4.81 114.28 112.90 3fqg n THR 130 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3fqg n THR 130 Cb 0.32 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 3fqg n THR 130 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3fqg n ASN 138 N -1.53 0.00 -0.11 1.09 4.05 -1.26 -4.63 115.26 112.87 3fqg n ASN 138 Ca 0.00 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.11 3fqg n ASN 138 Cb 0.00 0.00 0.12 0.00 1.23 0.00 0.00 39.78 41.13 3fqg n ASN 138 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3fqg n GLN 139 N 0.00 1.76 -1.64 1.20 10.64 -1.26 -4.75 117.38 123.34 3fqg n GLN 139 Ca 0.00 -2.36 -0.29 0.00 -1.83 0.00 0.00 57.00 52.52 3fqg n GLN 139 Cb 0.00 -1.41 0.12 0.00 -0.86 0.00 0.00 30.24 28.08 3fqg n GLN 139 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3fqg s ASP 140 N -2.40 3.94 0.23 2.61 1.47 -1.26 -4.84 116.67 116.43 3fqg s ASP 140 Ca 0.26 0.97 -0.07 0.00 1.18 0.00 0.00 52.55 54.88 3fqg s ASP 140 Cb 0.22 -1.55 0.24 0.00 -0.34 0.00 0.00 42.92 41.49 3fqg s ASP 140 CO 0.03 -2.28 1.90 -0.09 0.68 0.00 0.00 175.17 175.41 3fqg h ARG 141 N -1.31 1.14 -0.59 2.11 2.43 -1.99 -1.40 114.38 114.77 3fqg h ARG 141 Ca -0.49 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3fqg h ARG 141 Cb 1.32 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 3fqg h ARG 141 CO 0.63 0.75 0.36 0.52 -1.51 0.00 0.00 179.97 180.72 3fqg h MET 142 N 1.18 0.70 -0.52 0.20 2.86 -2.00 -0.41 114.93 116.93 3fqg h MET 142 Ca 0.34 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 3fqg h MET 142 Cb -0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 3fqg h MET 142 CO -0.09 0.46 0.29 0.00 1.06 0.00 0.00 176.91 178.63 3fqg h TYR 144 N 0.69 1.03 -0.84 0.00 3.20 -0.85 -1.89 116.97 118.31 3fqg h TYR 144 Ca 0.18 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.24 3fqg h TYR 144 Cb 0.03 -0.33 -0.10 0.00 1.54 0.00 0.00 36.73 37.87 3fqg h TYR 144 CO -0.02 0.52 0.40 -1.49 -1.64 0.00 0.00 178.16 175.94 3fqg h TRP 145 N 1.01 0.69 -0.10 -3.82 6.55 -0.79 0.63 115.95 120.13 3fqg h TRP 145 Ca 0.39 0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.25 3fqg h TRP 145 Cb 0.17 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.29 3fqg h TRP 145 CO -0.03 0.12 0.01 0.78 -1.05 0.00 0.00 178.44 178.28 3fqg h GLY 146 N 0.55 0.17 1.31 1.49 0.00 -1.31 -1.38 103.07 103.89 3fqg h GLY 146 Ca 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3fqg h GLY 146 CO -0.40 0.11 0.13 -0.97 0.00 0.00 0.00 176.54 175.41 3fqg h TYR 147 N -0.08 0.89 -0.54 5.60 0.05 -0.72 -2.29 116.97 119.88 3fqg h TYR 147 Ca 0.03 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.61 3fqg h TYR 147 Cb 0.29 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 3fqg h TYR 147 CO 0.02 0.74 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.54 3fqg h LYS 148 N 0.83 1.03 -0.58 4.88 1.63 0.33 -0.58 116.57 124.10 3fqg h LYS 148 Ca 0.18 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 3fqg h LYS 148 Cb 0.31 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 3fqg h LYS 148 CO -0.00 1.08 0.32 0.35 -3.45 0.00 0.00 179.45 177.74 3fqg h PHE 149 N 0.91 0.80 -0.32 1.91 3.57 -1.12 -0.15 116.94 122.54 3fqg h PHE 149 Ca 0.14 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fqg h PHE 149 Cb 0.69 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3fqg h PHE 149 CO 0.05 0.58 0.20 0.93 -2.23 0.00 0.00 178.31 177.84 3fqg h GLU 150 N 0.79 0.41 -0.36 1.11 5.08 -1.24 -1.84 114.58 118.52 3fqg h GLU 150 Ca 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3fqg h GLU 150 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3fqg h GLU 150 CO -0.03 0.27 0.20 0.00 -1.00 0.00 0.00 179.01 178.44 3fqg h ALA 151 N 1.13 0.46 0.00 3.43 0.00 -0.73 -3.06 119.26 120.48 3fqg h ALA 151 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fqg h ALA 151 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fqg h ALA 151 CO -0.04 -0.02 -0.06 -0.84 0.00 0.00 0.00 179.25 178.29 3fqg h ILE 152 N 0.45 0.11 -0.02 0.00 3.07 -0.99 -3.15 117.51 116.98 3fqg h ILE 152 Ca 0.13 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.60 3fqg h ILE 152 Cb 0.05 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3fqg h ILE 152 CO -0.02 0.05 0.00 -1.20 -1.05 0.00 0.00 178.15 175.93 3fqg n SER 153 N -3.13 1.51 -4.21 2.16 7.64 -0.70 -4.43 113.62 112.46 3fqg n SER 153 Ca 0.02 -1.51 -0.24 0.00 1.01 0.00 0.00 58.87 58.15 3fqg n SER 153 Cb 0.46 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 3fqg n SER 153 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fqg s THR 154 N -1.99 1.50 -0.10 0.44 -4.23 -1.17 -1.21 115.64 108.88 3fqg s THR 154 Ca 0.38 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 3fqg s THR 154 Cb 0.21 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.75 3fqg s THR 154 CO 0.33 0.22 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.17 3fqg s LEU 155 N -0.98 2.09 0.86 4.79 2.96 0.10 -4.90 118.68 123.62 3fqg s LEU 155 Ca 0.06 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 3fqg s LEU 155 Cb -0.08 -1.41 0.11 0.00 0.50 0.00 0.00 46.19 45.31 3fqg s LEU 155 CO 0.01 0.15 1.09 -2.16 -1.32 0.00 0.00 176.35 174.13 3fqg s PRO 156 N 0.37 1.53 0.16 0.98 0.04 -1.26 0.31 135.00 137.13 3fqg s PRO 156 Ca -0.18 0.85 -0.32 0.00 0.04 0.00 0.00 61.00 61.39 3fqg s PRO 156 Cb -0.18 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3fqg s PRO 156 CO 0.08 -2.06 1.63 -2.00 0.04 0.00 0.00 177.00 174.69 3fqg s GLU 157 N -4.96 4.19 -0.00 4.56 2.56 -1.25 -4.77 118.70 119.02 3fqg s GLU 157 Ca 0.63 2.43 -0.01 0.00 0.00 0.00 0.00 54.97 58.01 3fqg s GLU 157 Cb -0.17 -3.21 -0.01 0.00 2.00 0.00 0.00 34.13 32.73 3fqg s GLU 157 CO 0.56 -0.67 -0.03 -0.89 -0.56 0.00 0.00 175.26 173.67 3fqg n ILE 158 N 4.11 0.41 -0.33 -3.70 5.41 -1.26 -4.48 119.36 119.52 3fqg n ILE 158 Ca 0.15 0.07 -0.04 0.00 1.00 0.00 0.00 62.75 63.92 3fqg n ILE 158 Cb 0.38 -1.56 0.08 0.00 -0.71 0.00 0.00 39.64 37.83 3fqg n ILE 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3fqg h TRP 159 N -0.09 1.20 -0.37 1.39 2.91 -2.04 -2.90 115.95 116.05 3fqg h TRP 159 Ca -0.05 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.92 3fqg h TRP 159 Cb 0.82 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 3fqg h TRP 159 CO -0.02 0.83 0.02 -0.25 -1.03 0.00 0.00 178.44 177.99 3fqg n ASP 160 N -4.36 4.28 0.00 2.65 8.00 -1.26 -5.35 116.55 120.52 3fqg n ASP 160 Ca 0.09 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.53 3fqg n ASP 160 Cb 0.09 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 3fqg n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqg n ALA 161 N -0.28 0.00 0.00 2.24 0.00 -1.10 -5.12 120.51 116.25 3fqg n ALA 161 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3fqg n ALA 161 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 3fqg n ALA 161 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3fqg n GLN 173 N 0.00 0.00 -2.56 0.00 7.27 -1.26 -5.04 117.38 115.80 3fqg n GLN 173 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 3fqg n GLN 173 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 3fqg n GLN 173 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3fqg s ASP 174 N 0.00 7.25 -0.48 1.69 1.11 -1.26 -4.94 116.67 120.04 3fqg s ASP 174 Ca 0.00 1.92 -0.18 0.00 0.18 0.00 0.00 52.55 54.46 3fqg s ASP 174 Cb 0.00 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.45 3fqg s ASP 174 CO 0.00 -0.30 0.56 -0.69 1.18 0.00 0.00 175.17 175.92 3fqg s VAL 175 N 0.58 4.96 -0.56 -1.27 1.01 0.13 -4.98 120.40 120.26 3fqg s VAL 175 Ca 0.53 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3fqg s VAL 175 Cb -0.27 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.07 3fqg s VAL 175 CO 0.30 -0.68 0.41 -0.69 0.00 0.00 0.00 175.10 174.45 3fqg s VAL 176 N 2.43 1.66 0.15 2.92 1.01 -1.26 -1.09 120.40 126.21 3fqg s VAL 176 Ca 0.14 -3.46 0.33 0.00 0.00 0.00 0.00 61.98 58.98 3fqg s VAL 176 Cb -0.19 -2.11 0.34 0.00 0.00 0.00 0.00 36.38 34.42 3fqg s VAL 176 CO 0.12 -1.11 2.00 -0.65 0.00 0.00 0.00 175.10 175.46 3fqg h PRO 177 N 5.56 0.00 -0.78 2.72 0.11 -1.93 -1.79 132.00 135.89 3fqg h PRO 177 Ca 0.20 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.35 3fqg h PRO 177 Cb 0.83 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 3fqg h PRO 177 CO 0.55 0.00 0.51 -0.44 -0.21 0.00 0.00 178.00 178.41 3fqg h ASP 178 N 0.00 0.80 -2.81 -2.05 3.32 -1.86 -3.40 116.42 110.42 3fqg h ASP 178 Ca 0.00 -0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 3fqg h ASP 178 Cb 0.12 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3fqg h ASP 178 CO 0.00 0.54 0.96 -0.70 -1.72 0.00 0.00 179.24 178.32 3fqg s GLU 179 N -5.80 4.22 0.23 3.56 2.12 -0.67 -4.58 118.70 117.77 3fqg s GLU 179 Ca -0.11 1.86 -0.22 0.00 0.36 0.00 0.00 54.97 56.86 3fqg s GLU 179 Cb 0.19 -3.83 0.05 0.00 0.26 0.00 0.00 34.13 30.79 3fqg s GLU 179 CO 0.78 -0.75 0.86 1.14 -0.54 0.00 0.00 175.26 176.75 3fqg s GLN 180 N 3.62 1.53 0.06 4.30 -2.07 -0.76 -4.98 119.66 121.36 3fqg s GLN 180 Ca 0.62 -0.88 0.08 0.00 -1.82 0.00 0.00 55.36 53.36 3fqg s GLN 180 Cb -0.26 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 3fqg s GLN 180 CO 0.20 -0.71 -0.22 -0.47 -1.32 0.00 0.00 175.29 172.78 3fqg s TYR 181 N -3.35 1.88 0.00 9.60 6.14 -1.26 -0.47 117.35 129.89 3fqg s TYR 181 Ca 0.13 -0.39 0.03 0.00 0.64 0.00 0.00 57.07 57.48 3fqg s TYR 181 Cb -0.04 -1.10 -0.01 0.00 0.42 0.00 0.00 41.96 41.23 3fqg s TYR 181 CO 0.05 0.12 -0.09 0.00 0.64 0.00 0.00 175.55 176.28 3fqg s SER 183 N -0.39 4.19 -0.19 0.00 0.15 -0.24 -1.74 113.70 115.48 3fqg s SER 183 Ca 0.02 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.39 3fqg s SER 183 Cb -0.04 -1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 62.89 3fqg s SER 183 CO -0.00 0.24 0.00 -0.63 1.20 0.00 0.00 173.24 174.05 3fqg s ILE 184 N -0.11 4.03 0.11 6.45 1.01 0.54 -1.53 121.20 131.70 3fqg s ILE 184 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.44 3fqg s ILE 184 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3fqg s ILE 184 CO 0.03 0.44 -0.21 -0.69 0.00 0.00 0.00 174.94 174.51 3fqg s VAL 185 N 0.86 1.74 -0.22 2.92 1.01 0.68 -0.62 120.40 126.77 3fqg s VAL 185 Ca 0.01 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 3fqg s VAL 185 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3fqg s VAL 185 CO 0.02 -0.08 0.18 -0.54 0.00 0.00 0.00 175.10 174.68 3fqg s LYS 186 N -1.99 4.13 -0.02 2.72 1.02 0.34 -0.80 119.74 125.13 3fqg s LYS 186 Ca 0.07 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.88 3fqg s LYS 186 Cb -0.10 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3fqg s LYS 186 CO 0.04 0.13 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.09 3fqg s ILE 187 N 0.85 0.19 -0.19 2.17 2.07 -0.36 -0.96 121.20 124.97 3fqg s ILE 187 Ca 0.09 -0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 3fqg s ILE 187 Cb -0.13 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 3fqg s ILE 187 CO 0.03 0.10 0.02 0.20 -1.91 0.00 0.00 174.94 173.38 3fqg s ASN 188 N 0.50 5.08 -0.34 4.50 0.01 -1.26 -0.55 114.94 122.89 3fqg s ASN 188 Ca -0.05 -0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.01 3fqg s ASN 188 Cb -0.08 -1.87 0.09 0.00 0.41 0.00 0.00 41.25 39.81 3fqg s ASN 188 CO -0.01 0.11 0.05 -0.63 -1.51 0.00 0.00 177.10 175.11 3fqg s ILE 189 N 0.73 2.64 0.00 0.60 1.01 0.25 -1.44 121.20 125.00 3fqg s ILE 189 Ca 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.67 3fqg s ILE 189 Cb -0.14 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3fqg s ILE 189 CO 0.02 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.13 3fqg n GLY 190 N 4.43 3.59 0.17 6.18 0.00 0.06 -1.21 105.19 118.41 3fqg n GLY 190 Ca -0.04 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3fqg n GLY 190 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fqg n LYS 191 N 14.00 1.11 -3.79 1.61 5.02 -1.26 -4.82 118.16 130.02 3fqg n LYS 191 Ca 0.00 -0.34 -0.36 0.00 -2.02 0.00 0.00 58.31 55.59 3fqg n LYS 191 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 3fqg n LYS 191 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3fqg s SER 192 N -2.13 5.83 -0.22 4.39 0.01 -0.35 -5.03 113.70 116.21 3fqg s SER 192 Ca 0.40 0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.59 3fqg s SER 192 Cb 0.21 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 3fqg s SER 192 CO 0.39 0.10 0.31 -0.54 0.41 0.00 0.00 173.24 173.90 3fqg s LYS 193 N 0.86 4.14 0.03 12.44 1.02 -1.26 -0.58 119.74 136.38 3fqg s LYS 193 Ca 0.06 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.15 3fqg s LYS 193 Cb -0.13 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 3fqg s LYS 193 CO 0.03 -0.00 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.71 3fqg s LEU 194 N 1.21 2.14 -0.20 3.17 1.02 0.29 -0.44 118.68 125.87 3fqg s LEU 194 Ca 0.15 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 3fqg s LEU 194 Cb -0.14 -1.15 -0.01 0.00 0.02 0.00 0.00 46.19 44.90 3fqg s LEU 194 CO 0.07 0.23 -0.04 -0.63 0.02 0.00 0.00 176.35 175.99 3fqg s ILE 195 N -0.74 3.48 -0.03 -0.59 1.01 -0.35 -1.22 121.20 122.75 3fqg s ILE 195 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3fqg s ILE 195 Cb -0.09 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3fqg s ILE 195 CO 0.01 0.44 -0.18 -0.76 0.00 0.00 0.00 174.94 174.45 3fqg s LEU 196 N 1.18 1.97 -0.06 2.97 1.43 0.02 -1.57 118.68 124.61 3fqg s LEU 196 Ca 0.02 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3fqg s LEU 196 Cb -0.14 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3fqg s LEU 196 CO -0.01 0.19 -0.15 0.00 0.23 0.00 0.00 176.35 176.61 3fqg s ALA 197 N -0.15 2.61 0.00 4.21 0.00 -0.83 -0.23 121.76 127.37 3fqg s ALA 197 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3fqg s ALA 197 Cb -0.10 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.07 3fqg s ALA 197 CO 0.01 0.49 0.37 0.20 0.00 0.00 0.00 175.76 176.84 3fqg s GLY 198 N -0.50 -0.22 0.24 0.00 0.00 -0.58 -0.99 107.32 105.27 3fqg s GLY 198 Ca 0.06 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 3fqg s GLY 198 CO 0.02 0.14 1.34 1.85 0.00 0.00 0.00 173.10 176.45 3fqg s GLU 199 N -1.78 4.36 -0.24 2.90 2.12 -1.26 -1.07 118.70 123.72 3fqg s GLU 199 Ca -0.10 2.15 -0.04 0.00 0.36 0.00 0.00 54.97 57.34 3fqg s GLU 199 Cb -0.03 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.21 3fqg s GLU 199 CO 0.02 -0.28 -0.02 0.08 -0.54 0.00 0.00 175.26 174.53 3fqg s VAL 200 N -0.19 3.42 0.17 3.70 1.01 -0.06 -4.88 120.40 123.56 3fqg s VAL 200 Ca 0.56 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3fqg s VAL 200 Cb -0.39 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.42 3fqg s VAL 200 CO 0.42 0.32 1.81 0.44 0.00 0.00 0.00 175.10 178.10 3fqg h ASP 201 N 8.12 0.61 -5.52 3.32 3.32 -1.84 -3.39 116.42 121.04 3fqg h ASP 201 Ca -0.38 -0.04 0.21 0.00 0.02 0.00 0.00 57.03 56.84 3fqg h ASP 201 Cb 1.14 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 3fqg h ASP 201 CO 0.60 0.47 0.67 0.00 -1.72 0.00 0.00 179.24 179.25 3fqg s ILE 203 N -2.13 2.13 0.14 0.00 2.07 -0.13 -1.08 121.20 122.20 3fqg s ILE 203 Ca 0.24 -1.65 -0.11 0.00 -1.41 0.00 0.00 60.65 57.71 3fqg s ILE 203 Cb -0.02 -1.88 -0.04 0.00 0.13 0.00 0.00 42.46 40.65 3fqg s ILE 203 CO 0.04 0.11 1.49 -0.25 -1.91 0.00 0.00 174.94 174.41 3fqg h TRP 204 N 4.08 1.13 -1.03 3.50 2.91 -0.68 -1.59 115.95 124.26 3fqg h TRP 204 Ca -0.49 -0.32 0.00 0.00 1.13 0.00 0.00 58.89 59.20 3fqg h TRP 204 Cb 1.17 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 3fqg h TRP 204 CO 0.58 1.15 0.00 -0.40 -1.03 0.00 0.00 178.44 178.75 3fqg n ASP 205 N -4.08 0.00 -4.75 2.65 5.68 -1.26 -4.59 116.55 110.19 3fqg n ASP 205 Ca -0.02 -0.03 -0.41 0.00 -0.50 0.00 0.00 54.79 53.83 3fqg n ASP 205 Cb 0.53 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 3fqg n ASP 205 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3fqg s LYS 206 N 0.90 4.25 0.08 0.11 0.00 -1.26 -4.93 119.74 118.90 3fqg s LYS 206 Ca 0.00 2.34 -0.31 0.00 0.00 0.00 0.00 55.97 58.00 3fqg s LYS 206 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 37.83 34.66 3fqg s LYS 206 CO 0.00 -0.43 1.61 0.21 0.00 0.00 0.00 175.35 176.75 3fqg s LYS 207 N -0.63 4.21 -0.26 1.78 2.20 -1.26 -4.92 119.74 120.87 3fqg s LYS 207 Ca 0.58 2.30 -0.28 0.00 -0.36 0.00 0.00 55.97 58.21 3fqg s LYS 207 Cb -0.43 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 3fqg s LYS 207 CO 0.46 -0.69 2.06 -2.14 -0.36 0.00 0.00 175.35 174.68 3fqg s PRO 208 N 2.31 3.22 0.00 4.03 0.02 -1.26 -5.14 135.00 138.18 3fqg s PRO 208 Ca 0.72 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3fqg s PRO 208 Cb -0.40 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 29.82 3fqg s PRO 208 CO 0.32 -2.00 0.41 0.00 -0.33 0.00 0.00 177.00 175.39 3fqg n GLU 231 N -0.31 -1.95 -1.68 0.00 2.13 -1.26 -5.15 120.64 112.41 3fqg n GLU 231 Ca 0.00 1.41 -0.45 0.00 0.66 0.00 0.00 57.16 58.79 3fqg n GLU 231 Cb 0.03 -1.88 -0.04 0.00 0.27 0.00 0.00 31.44 29.82 3fqg n GLU 231 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3fqg n ASN 232 N 0.27 3.37 0.17 4.31 5.15 -1.26 -4.90 115.26 122.36 3fqg n ASN 232 Ca 0.00 1.08 0.13 0.00 -0.60 0.00 0.00 54.58 55.18 3fqg n ASN 232 Cb 0.00 -1.47 0.32 0.00 -0.53 0.00 0.00 39.78 38.10 3fqg n ASN 232 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3fqg h PRO 233 N 6.20 0.00 -0.28 1.20 0.13 -1.94 -3.41 132.00 133.90 3fqg h PRO 233 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3fqg h PRO 233 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3fqg h PRO 233 CO 0.91 0.00 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.74 3fqg h ASN 234 N 0.00 0.40 0.58 1.44 2.35 -1.88 -0.34 115.58 118.12 3fqg h ASN 234 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3fqg h ASN 234 Cb 0.83 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3fqg h ASN 234 CO 0.00 0.48 0.00 0.18 -1.65 0.00 0.00 177.43 176.44 3fqg n LEU 235 N -4.29 0.51 0.13 1.61 4.77 -1.17 -1.47 117.00 117.08 3fqg n LEU 235 Ca 0.01 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3fqg n LEU 235 Cb 0.24 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 3fqg n LEU 235 CO 0.38 -0.54 0.29 0.45 -1.33 0.00 0.00 177.39 176.64 3fqg h HIS 236 N 0.00 0.00 -4.18 -1.77 3.86 -1.37 -3.29 115.15 108.40 3fqg h HIS 236 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3fqg h HIS 236 Cb 0.29 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.84 3fqg h HIS 236 CO 0.00 0.00 0.38 0.71 0.86 0.00 0.00 177.93 179.88 3fqg s TYR 237 N -3.29 2.83 -0.01 2.45 4.12 -0.54 0.05 117.35 122.96 3fqg s TYR 237 Ca 0.03 1.53 0.03 0.00 0.02 0.00 0.00 57.07 58.68 3fqg s TYR 237 Cb 0.09 -3.09 -0.01 0.00 -1.52 0.00 0.00 41.96 37.43 3fqg s TYR 237 CO 0.74 -1.35 -0.11 0.08 0.02 0.00 0.00 175.55 174.93 3fqg s VAL 238 N -2.34 0.89 -0.15 0.71 1.01 -0.24 -2.49 120.40 117.78 3fqg s VAL 238 Ca 0.66 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3fqg s VAL 238 Cb -0.18 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3fqg s VAL 238 CO 0.37 0.26 -0.04 -0.70 0.00 0.00 0.00 175.10 174.99 3fqg s GLU 239 N -0.14 3.64 -0.18 2.72 2.56 0.14 -3.22 118.70 124.22 3fqg s GLU 239 Ca 0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 54.97 54.38 3fqg s GLU 239 Cb -0.06 -2.89 -0.04 0.00 2.00 0.00 0.00 34.13 33.14 3fqg s GLU 239 CO -0.00 0.25 0.08 -0.51 -0.56 0.00 0.00 175.26 174.52 3fqg s LEU 240 N 0.33 3.96 0.10 2.70 1.43 -1.26 -0.60 118.68 125.34 3fqg s LEU 240 Ca -0.04 0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3fqg s LEU 240 Cb -0.14 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3fqg s LEU 240 CO 0.03 0.21 -0.13 -0.54 0.23 0.00 0.00 176.35 176.15 3fqg s LYS 241 N 0.16 0.90 -0.03 1.70 -0.14 -0.57 -4.95 119.74 116.81 3fqg s LYS 241 Ca 0.06 -1.10 0.06 0.00 -1.36 0.00 0.00 55.97 53.63 3fqg s LYS 241 Cb -0.12 -0.80 -0.01 0.00 -1.68 0.00 0.00 37.83 35.22 3fqg s LYS 241 CO -0.00 0.16 -0.22 0.99 -0.76 0.00 0.00 175.35 175.52 3fqg s THR 242 N -1.84 1.74 0.09 2.17 2.01 -1.26 -0.21 115.64 118.34 3fqg s THR 242 Ca 0.04 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 3fqg s THR 242 Cb -0.07 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.06 3fqg s THR 242 CO 0.02 0.49 0.62 -0.55 -0.69 0.00 0.00 174.62 174.51 3fqg s SER 243 N -0.38 -0.59 0.35 3.53 0.15 -1.02 -4.96 113.70 110.78 3fqg s SER 243 Ca 0.05 0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.66 3fqg s SER 243 Cb -0.10 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.69 3fqg s SER 243 CO 0.00 -0.86 0.98 -0.75 1.20 0.00 0.00 173.24 173.81 3fqg s LYS 244 N -2.96 4.47 -0.08 5.44 2.20 -1.26 -1.26 119.74 126.29 3fqg s LYS 244 Ca -0.03 1.38 -0.24 0.00 -0.36 0.00 0.00 55.97 56.72 3fqg s LYS 244 Cb -0.01 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3fqg s LYS 244 CO -0.06 0.16 0.72 0.21 -0.36 0.00 0.00 175.35 176.02 3fqg s LYS 245 N -2.20 4.42 0.18 4.03 2.20 -1.26 -4.94 119.74 122.16 3fqg s LYS 245 Ca 0.52 0.91 0.08 0.00 -0.36 0.00 0.00 55.97 57.13 3fqg s LYS 245 Cb -0.19 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3fqg s LYS 245 CO 0.25 0.01 -0.17 0.71 -0.36 0.00 0.00 175.35 175.78 3fqg s TYR 246 N 0.98 1.80 0.84 4.03 1.51 -1.26 -5.13 117.35 120.12 3fqg s TYR 246 Ca 0.38 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.83 3fqg s TYR 246 Cb -0.18 -0.87 0.10 0.00 -0.11 0.00 0.00 41.96 40.90 3fqg s TYR 246 CO 0.18 0.35 1.17 -2.14 -1.11 0.00 0.00 175.55 174.00 3fqg s PRO 247 N -3.05 1.47 0.12 -1.71 0.02 -1.26 -4.89 135.00 125.70 3fqg s PRO 247 Ca 0.18 1.61 0.22 0.00 0.02 0.00 0.00 61.00 63.03 3fqg s PRO 247 Cb -0.04 -1.77 0.87 0.00 0.02 0.00 0.00 34.50 33.57 3fqg s PRO 247 CO 0.07 -2.31 1.67 1.28 -0.33 0.00 0.00 177.00 177.38 3fqg n LEU 248 N -3.67 0.35 0.28 -5.54 4.77 -1.26 -1.65 117.00 110.27 3fqg n LEU 248 Ca 0.12 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 3fqg n LEU 248 Cb 0.51 -0.50 0.77 0.00 -2.33 0.00 0.00 43.42 41.88 3fqg n LEU 248 CO 0.49 -0.31 1.07 -0.33 -1.33 0.00 0.00 177.39 176.98 3fqg h GLU 249 N 0.00 0.00 -6.18 3.23 3.07 -1.93 -3.42 114.58 109.34 3fqg h GLU 249 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3fqg h GLU 249 Cb 0.40 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 3fqg h GLU 249 CO 0.00 0.03 0.91 1.21 -1.40 0.00 0.00 179.01 179.76 3fqg s ASN 250 N -6.51 6.90 0.21 1.42 3.84 -0.66 -4.93 114.94 115.21 3fqg s ASN 250 Ca -0.05 1.56 -0.09 0.00 0.21 0.00 0.00 52.86 54.49 3fqg s ASN 250 Cb 0.15 -2.54 0.24 0.00 -0.55 0.00 0.00 41.25 38.55 3fqg s ASN 250 CO 0.60 -0.82 1.82 0.22 -2.79 0.00 0.00 177.10 176.13 3fqg h TYR 251 N 8.38 0.75 -0.66 0.43 3.20 -1.88 -1.75 116.97 125.44 3fqg h TYR 251 Ca -0.26 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.67 3fqg h TYR 251 Cb 1.10 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 3fqg h TYR 251 CO 0.81 0.38 0.40 0.78 -1.64 0.00 0.00 178.16 178.90 3fqg h GLY 252 N 0.76 0.96 0.97 1.82 0.00 -1.96 -1.47 103.07 104.15 3fqg h GLY 252 Ca 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3fqg h GLY 252 CO -0.16 0.25 0.24 1.98 0.00 0.00 0.00 176.54 178.85 3fqg h MET 253 N 0.79 0.61 -0.56 4.80 1.85 -1.73 -1.62 114.93 119.06 3fqg h MET 253 Ca 0.27 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.29 3fqg h MET 253 Cb 0.05 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 3fqg h MET 253 CO -0.12 0.49 0.35 0.00 -0.40 0.00 0.00 176.91 177.23 3fqg h ARG 254 N 0.57 0.76 -0.69 0.39 3.08 -0.92 -1.28 114.38 116.29 3fqg h ARG 254 Ca 0.15 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3fqg h ARG 254 Cb 0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3fqg h ARG 254 CO -0.03 0.54 0.36 -0.22 -1.07 0.00 0.00 179.97 179.55 3fqg h LYS 255 N 0.76 0.98 -0.45 0.04 3.64 -1.20 -0.25 116.57 120.09 3fqg h LYS 255 Ca 0.20 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3fqg h LYS 255 Cb -0.03 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3fqg h LYS 255 CO -0.04 0.76 0.15 -0.22 -2.27 0.00 0.00 179.45 177.83 3fqg h LYS 256 N 0.96 0.69 -0.82 1.90 3.64 -1.06 -1.73 116.57 120.15 3fqg h LYS 256 Ca 0.24 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3fqg h LYS 256 Cb 0.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3fqg h LYS 256 CO -0.03 0.66 0.36 -0.07 -2.27 0.00 0.00 179.45 178.09 3fqg h LEU 257 N 0.59 1.10 -0.73 5.20 3.38 -1.01 -0.65 115.31 123.19 3fqg h LEU 257 Ca 0.15 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fqg h LEU 257 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3fqg h LEU 257 CO -0.01 0.96 0.48 -0.07 0.09 0.00 0.00 178.44 179.89 3fqg h LEU 258 N 1.18 0.81 -0.81 1.67 4.07 -0.79 0.12 115.31 121.55 3fqg h LEU 258 Ca 0.28 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 58.10 3fqg h LEU 258 Cb 0.17 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 3fqg h LEU 258 CO -0.03 0.58 -0.38 0.11 -1.08 0.00 0.00 178.44 177.64 3fqg h LYS 259 N 0.96 0.43 -0.04 1.13 1.57 -1.08 0.08 116.57 119.62 3fqg h LYS 259 Ca 0.28 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fqg h LYS 259 Cb -0.07 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3fqg h LYS 259 CO -0.08 0.75 0.03 1.88 -0.57 0.00 0.00 179.45 181.46 3fqg h TYR 260 N 0.36 0.05 0.12 -1.35 -1.99 -0.60 -2.46 116.97 111.11 3fqg h TYR 260 Ca 0.04 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3fqg h TYR 260 Cb 0.83 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.53 3fqg h TYR 260 CO 0.03 0.04 -0.15 2.35 -0.00 0.00 0.00 178.16 180.42 3fqg h TRP 261 N 0.05 -0.39 -0.22 4.88 7.01 -0.56 -2.83 115.95 123.90 3fqg h TRP 261 Ca 0.02 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.08 3fqg h TRP 261 Cb -0.00 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.15 3fqg h TRP 261 CO -0.08 -0.23 -0.18 0.00 -2.79 0.00 0.00 178.44 175.16 3fqg h ALA 262 N 0.53 -0.05 -0.38 2.65 0.00 -0.97 0.27 119.26 121.31 3fqg h ALA 262 Ca 0.01 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3fqg h ALA 262 Cb 0.31 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3fqg h ALA 262 CO -0.06 -0.61 0.00 0.37 0.00 0.00 0.00 179.25 178.95 3fqg h GLN 263 N -0.19 0.10 -0.05 0.00 4.15 -1.42 -2.26 115.11 115.44 3fqg h GLN 263 Ca 0.13 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.31 3fqg h GLN 263 Cb 0.38 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.06 3fqg h GLN 263 CO -0.33 0.07 -0.90 0.77 -1.93 0.00 0.00 178.83 176.51 3fqg h SER 264 N 0.10 0.75 -0.74 -0.69 0.02 -1.24 -3.16 113.55 108.59 3fqg h SER 264 Ca 0.19 -0.55 0.13 0.00 -0.84 0.00 0.00 61.79 60.71 3fqg h SER 264 Cb 0.26 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.48 3fqg h SER 264 CO -0.31 1.34 0.31 0.15 -1.14 0.00 0.00 176.83 177.18 3fqg h PHE 265 N 0.37 0.54 0.00 3.45 3.57 -0.32 -1.33 116.94 123.21 3fqg h PHE 265 Ca -0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3fqg h PHE 265 Cb 1.53 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 3fqg h PHE 265 CO 0.08 0.10 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.09 3fqg h LEU 266 N 0.48 0.00 -2.47 0.59 3.38 -1.37 -2.65 115.31 113.27 3fqg h LEU 266 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3fqg h LEU 266 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fqg h LEU 266 CO -0.37 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.44 3fqg n LEU 267 N -3.29 2.74 -0.76 1.67 4.77 -1.03 -4.91 117.00 116.18 3fqg n LEU 267 Ca -0.00 -1.71 -0.10 0.00 -0.03 0.00 0.00 56.01 54.17 3fqg n LEU 267 Cb 0.32 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3fqg n LEU 267 CO 0.29 0.65 -0.09 0.61 -1.33 0.00 0.00 177.39 177.51 3fqg n GLY 268 N 0.64 1.14 3.73 -0.72 0.00 -0.70 -4.90 105.19 104.38 3fqg n GLY 268 Ca 0.11 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3fqg n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fqg s ILE 269 N -2.34 2.65 0.06 -0.61 -1.09 -0.59 -3.02 121.20 116.27 3fqg s ILE 269 Ca 0.00 0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 3fqg s ILE 269 Cb 0.00 -3.32 -0.28 0.00 -1.58 0.00 0.00 42.46 37.27 3fqg s ILE 269 CO 0.00 0.06 1.09 1.23 -1.23 0.00 0.00 174.94 176.10 3fqg h GLY 270 N 5.85 0.31 -4.93 6.18 0.00 -1.19 -3.41 103.07 105.88 3fqg h GLY 270 Ca -0.44 -0.78 -0.42 0.00 0.00 0.00 0.00 47.33 45.68 3fqg h GLY 270 CO 0.84 0.68 -0.79 0.50 0.00 0.00 0.00 176.54 177.78 3fqg s ARG 271 N -2.65 0.88 -0.15 4.80 0.52 -1.13 -1.17 118.95 120.05 3fqg s ARG 271 Ca -0.05 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3fqg s ARG 271 Cb 0.07 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.70 3fqg s ARG 271 CO 0.88 0.22 -0.20 0.42 0.02 0.00 0.00 175.30 176.64 3fqg s ILE 272 N -0.61 1.96 -0.23 1.52 1.01 -0.38 -0.68 121.20 123.80 3fqg s ILE 272 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 3fqg s ILE 272 Cb -0.06 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.65 3fqg s ILE 272 CO 0.00 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.77 3fqg s ILE 273 N 1.09 2.99 -0.22 2.92 1.01 0.23 -0.70 121.20 128.52 3fqg s ILE 273 Ca -0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 3fqg s ILE 273 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3fqg s ILE 273 CO -0.07 0.36 0.14 -0.63 0.00 0.00 0.00 174.94 174.73 3fqg s ILE 274 N 1.40 5.29 -0.52 2.92 1.01 0.44 -1.51 121.20 130.21 3fqg s ILE 274 Ca 0.04 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 3fqg s ILE 274 Cb -0.15 -3.44 0.07 0.00 0.01 0.00 0.00 42.46 38.95 3fqg s ILE 274 CO -0.05 0.38 0.63 -0.83 0.00 0.00 0.00 174.94 175.07 3fqg s GLY 275 N 0.80 1.79 0.03 6.18 0.00 0.70 -0.78 107.32 116.04 3fqg s GLY 275 Ca 0.07 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 3fqg s GLY 275 CO 0.02 1.48 1.07 -1.36 0.00 0.00 0.00 173.10 174.30 3fqg s PHE 276 N 2.59 3.57 0.21 1.90 0.40 0.17 -2.44 117.98 124.39 3fqg s PHE 276 Ca 0.14 1.54 0.10 0.00 -0.60 0.00 0.00 56.93 58.11 3fqg s PHE 276 Cb -0.21 -3.24 -0.05 0.00 0.51 0.00 0.00 43.02 40.04 3fqg s PHE 276 CO 0.10 -0.51 -0.20 -0.98 0.70 0.00 0.00 175.22 174.33 3fqg s ARG 277 N 1.02 1.48 0.55 0.44 3.03 -0.38 -0.42 118.95 124.66 3fqg s ARG 277 Ca 0.55 -1.58 -0.02 0.00 2.03 0.00 0.00 55.73 56.71 3fqg s ARG 277 Cb -0.24 -1.58 0.11 0.00 -1.03 0.00 0.00 34.95 32.20 3fqg s ARG 277 CO 0.29 0.31 0.75 -0.40 -1.13 0.00 0.00 175.30 175.12 3fqg n ASP 278 N -0.09 0.87 0.27 -2.89 5.68 -0.49 -4.29 116.55 115.61 3fqg n ASP 278 Ca -0.10 -1.77 0.18 0.00 -0.50 0.00 0.00 54.79 52.61 3fqg n ASP 278 Cb 0.58 -0.50 0.81 0.00 -1.14 0.00 0.00 41.12 40.87 3fqg n ASP 278 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3fqg h ASP 279 N -0.53 0.00 0.88 -1.12 3.32 -2.01 -1.64 116.42 115.33 3fqg h ASP 279 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3fqg h ASP 279 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3fqg h ASP 279 CO 0.25 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.36 3fqg n ASN 280 N -2.96 0.00 0.00 6.45 3.02 -1.26 -4.91 115.26 115.59 3fqg n ASN 280 Ca -0.00 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 3fqg n ASN 280 Cb 0.22 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3fqg n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqg n GLY 281 N 1.22 0.47 3.73 7.41 0.00 -0.61 -4.82 105.19 112.58 3fqg n GLY 281 Ca 0.07 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3fqg n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fqg s ILE 282 N -2.00 5.15 -0.25 -0.61 -1.09 -1.26 -0.96 121.20 120.19 3fqg s ILE 282 Ca 0.00 1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 59.15 3fqg s ILE 282 Cb 0.00 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3fqg s ILE 282 CO 0.00 0.33 1.44 -0.22 -1.23 0.00 0.00 174.94 175.26 3fqg s LEU 283 N 0.52 3.93 -0.08 2.97 2.96 -0.12 -1.40 118.68 127.46 3fqg s LEU 283 Ca 0.27 1.46 0.13 0.00 -0.22 0.00 0.00 54.13 55.77 3fqg s LEU 283 Cb -0.16 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 3fqg s LEU 283 CO 0.12 -1.11 0.16 2.30 -1.32 0.00 0.00 176.35 176.49 3fqg n ILE 284 N 6.18 0.51 -3.63 6.68 -5.35 0.44 0.39 119.36 124.58 3fqg n ILE 284 Ca 0.16 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 3fqg n ILE 284 Cb 0.46 -0.29 -0.07 0.00 -1.74 0.00 0.00 39.64 37.99 3fqg n ILE 284 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3fqg s GLU 285 N -2.61 0.82 -0.04 6.28 2.12 -1.11 -4.82 118.70 119.35 3fqg s GLU 285 Ca -0.06 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.17 3fqg s GLU 285 Cb 0.06 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 3fqg s GLU 285 CO 0.56 -0.11 -0.04 0.00 -0.54 0.00 0.00 175.26 175.13 3fqg s MET 286 N 0.22 2.75 -0.16 4.30 0.00 -1.26 0.46 119.30 125.61 3fqg s MET 286 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 55.69 55.09 3fqg s MET 286 Cb -0.04 -2.62 0.04 0.00 0.00 0.00 0.00 34.83 32.20 3fqg s MET 286 CO 0.02 0.65 -0.06 0.21 0.00 0.00 0.00 175.02 175.83 3fqg s LYS 287 N -1.17 1.51 -0.21 3.16 2.20 0.04 -4.99 119.74 120.29 3fqg s LYS 287 Ca 0.16 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 55.10 3fqg s LYS 287 Cb -0.11 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 3fqg s LYS 287 CO 0.05 -0.39 0.56 -1.21 -0.36 0.00 0.00 175.35 174.01 3fqg s GLU 288 N 1.63 4.18 0.07 4.03 2.02 -1.26 -0.42 118.70 128.95 3fqg s GLU 288 Ca 0.02 0.48 0.09 0.00 0.02 0.00 0.00 54.97 55.58 3fqg s GLU 288 Cb -0.15 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 3fqg s GLU 288 CO -0.08 -0.22 -0.25 -0.51 0.02 0.00 0.00 175.26 174.22 3fqg s LEU 289 N 1.87 2.28 0.02 1.80 1.43 0.13 -5.01 118.68 121.18 3fqg s LEU 289 Ca 0.25 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3fqg s LEU 289 Cb -0.16 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 3fqg s LEU 289 CO 0.10 0.24 0.63 -0.36 0.23 0.00 0.00 176.35 177.18 3fqg s PHE 290 N -0.90 3.71 0.19 0.29 0.40 -1.26 -1.25 117.98 119.17 3fqg s PHE 290 Ca 0.13 1.27 -0.15 0.00 -0.60 0.00 0.00 56.93 57.57 3fqg s PHE 290 Cb -0.10 -2.64 0.18 0.00 0.51 0.00 0.00 43.02 40.97 3fqg s PHE 290 CO 0.04 0.36 1.64 1.15 0.70 0.00 0.00 175.22 179.10 3fqg h THR 291 N 4.06 0.43 0.00 0.64 2.02 -1.38 0.03 112.91 118.71 3fqg h THR 291 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3fqg h THR 291 Cb 1.20 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3fqg h THR 291 CO 0.69 0.00 0.00 1.12 0.37 0.00 0.00 175.52 177.70 3fqg h HIS 292 N -0.02 0.00 0.00 3.16 2.07 -1.89 -2.36 115.15 116.10 3fqg h HIS 292 Ca 0.26 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.69 3fqg h HIS 292 Cb 0.42 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 3fqg h HIS 292 CO -0.47 0.00 -0.43 1.96 -3.07 0.00 0.00 177.93 175.92 3fqg h GLN 293 N 0.00 0.00 0.01 5.12 4.20 -1.38 -3.38 115.11 119.68 3fqg h GLN 293 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3fqg h GLN 293 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3fqg h GLN 293 CO 0.00 0.43 -0.08 0.82 -0.67 0.00 0.00 178.83 179.33 3fqg h ILE 294 N 0.00 0.79 -0.61 2.54 2.04 -1.45 0.33 117.51 121.15 3fqg h ILE 294 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3fqg h ILE 294 Cb 1.25 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3fqg h ILE 294 CO 0.06 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.96 3fqg h PRO 295 N -0.15 0.66 -0.22 2.37 0.11 -1.78 -1.12 132.00 131.87 3fqg h PRO 295 Ca 0.03 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 3fqg h PRO 295 Cb 0.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3fqg h PRO 295 CO -0.08 0.44 -0.11 0.87 -0.21 0.00 0.00 178.00 178.90 3fqg h LYS 296 N 0.68 0.47 -0.38 1.05 1.57 -1.53 -2.76 116.57 115.67 3fqg h LYS 296 Ca 0.25 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3fqg h LYS 296 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3fqg h LYS 296 CO -0.07 0.75 0.21 1.98 -0.57 0.00 0.00 179.45 181.74 3fqg h MET 297 N 0.18 0.52 0.00 3.15 4.05 -0.02 -2.96 114.93 119.85 3fqg h MET 297 Ca 0.05 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3fqg h MET 297 Cb 0.61 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3fqg h MET 297 CO 0.03 0.38 -0.25 -0.07 0.23 0.00 0.00 176.91 177.23 3fqg h LEU 298 N 0.52 0.00 -0.60 3.39 3.38 -1.11 -3.39 115.31 117.50 3fqg h LEU 298 Ca 0.14 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.15 3fqg h LEU 298 Cb 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3fqg h LEU 298 CO -0.02 0.04 0.01 -0.09 0.09 0.00 0.00 178.44 178.46 3fqg h ARG 299 N 0.00 0.12 0.00 1.13 2.43 -1.31 -0.37 114.38 116.37 3fqg h ARG 299 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fqg h ARG 299 Cb 0.77 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3fqg h ARG 299 CO 0.00 0.08 0.00 -1.35 -1.51 0.00 0.00 179.97 177.19 3fqg h PRO 300 N 0.12 0.00 0.00 0.20 0.11 -1.81 -3.26 132.00 127.36 3fqg h PRO 300 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3fqg h PRO 300 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3fqg h PRO 300 CO -0.51 0.00 -0.89 0.66 -0.21 0.00 0.00 178.00 177.05 3fqg n TYR 301 N -2.97 0.00 -2.06 0.65 4.02 -0.16 -4.94 117.16 111.70 3fqg n TYR 301 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 3fqg n TYR 301 Cb 0.16 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 3fqg n TYR 301 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3fqg s PHE 302 N -2.67 2.71 0.48 -0.72 2.99 -1.13 -4.96 117.98 114.68 3fqg s PHE 302 Ca 0.06 0.59 -0.07 0.00 0.00 0.00 0.00 56.93 57.51 3fqg s PHE 302 Cb 0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 43.02 39.28 3fqg s PHE 302 CO 0.71 -3.17 0.80 0.15 -0.00 0.00 0.00 175.22 173.71 3fqg s LYS 303 N 2.29 3.58 0.42 0.44 -0.14 -1.26 -5.00 119.74 120.07 3fqg s LYS 303 Ca 0.69 0.29 -0.25 0.00 -1.36 0.00 0.00 55.97 55.34 3fqg s LYS 303 Cb -0.37 -2.35 -0.10 0.00 -1.68 0.00 0.00 37.83 33.33 3fqg s LYS 303 CO 0.30 -0.21 1.19 -2.30 -0.76 0.00 0.00 175.35 173.57 3fqg n PRO 304 N -2.14 1.74 -0.91 -1.68 -0.02 -1.26 -1.85 135.00 128.87 3fqg n PRO 304 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3fqg n PRO 304 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3fqg n PRO 304 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fqg n ASN 305 N 0.31 -3.13 -4.77 2.55 4.13 -1.26 -5.01 115.26 108.09 3fqg n ASN 305 Ca 0.08 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.95 3fqg n ASN 305 Cb 0.39 -1.90 -0.01 0.00 -1.54 0.00 0.00 39.78 36.72 3fqg n ASN 305 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3fqg s ASP 306 N -2.15 6.40 0.06 6.41 1.11 -0.77 -4.99 116.67 122.74 3fqg s ASP 306 Ca 0.00 2.48 -0.31 0.00 0.18 0.00 0.00 52.55 54.90 3fqg s ASP 306 Cb 0.00 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.30 3fqg s ASP 306 CO 0.00 -0.77 1.42 0.26 1.18 0.00 0.00 175.17 177.26 3fqg s TRP 307 N -1.35 2.97 0.24 4.23 0.52 -1.26 -5.00 118.94 119.29 3fqg s TRP 307 Ca 0.57 0.82 0.09 0.00 0.02 0.00 0.00 56.10 57.60 3fqg s TRP 307 Cb -0.34 -3.70 -0.04 0.00 -1.15 0.00 0.00 33.47 28.24 3fqg s TRP 307 CO 0.43 -2.57 0.02 0.95 0.02 0.00 0.00 176.95 175.80 3fqg s THR 308 N 1.88 3.64 0.23 2.01 -4.23 -1.26 -4.99 115.64 112.92 3fqg s THR 308 Ca 0.65 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 3fqg s THR 308 Cb -0.35 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 70.88 3fqg s THR 308 CO 0.29 -0.30 1.61 -0.65 -0.54 0.00 0.00 174.62 175.03 3fqg h PRO 309 N 2.08 0.00 -0.67 3.99 0.11 -1.96 0.38 132.00 135.92 3fqg h PRO 309 Ca -0.46 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3fqg h PRO 309 Cb 1.23 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 3fqg h PRO 309 CO 0.60 0.00 0.44 -0.91 -0.21 0.00 0.00 178.00 177.92 3fqg h ASN 310 N 0.00 0.76 -0.47 -2.05 2.35 -2.00 -1.85 115.58 112.34 3fqg h ASN 310 Ca 0.36 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.98 3fqg h ASN 310 Cb 0.55 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3fqg h ASN 310 CO -0.76 0.55 -0.12 -0.09 -1.65 0.00 0.00 177.43 175.36 3fqg h ARG 311 N 0.90 0.95 -0.78 0.81 2.43 -1.75 -2.15 114.38 114.79 3fqg h ARG 311 Ca 0.25 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3fqg h ARG 311 Cb -0.09 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3fqg h ARG 311 CO -0.06 1.01 0.41 -0.07 -1.51 0.00 0.00 179.97 179.75 3fqg h LEU 312 N 0.84 0.98 -0.45 3.80 3.38 -0.56 -1.79 115.31 121.51 3fqg h LEU 312 Ca 0.13 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3fqg h LEU 312 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3fqg h LEU 312 CO 0.05 0.80 -0.31 -0.07 0.09 0.00 0.00 178.44 179.00 3fqg h LEU 313 N 1.09 1.00 0.02 1.67 3.38 -1.15 -1.35 115.31 119.97 3fqg h LEU 313 Ca 0.27 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3fqg h LEU 313 Cb 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3fqg h LEU 313 CO -0.04 1.22 -0.01 0.58 0.09 0.00 0.00 178.44 180.28 3fqg h VAL 314 N 0.80 1.02 -0.70 1.22 2.07 -1.17 -1.60 116.25 117.89 3fqg h VAL 314 Ca 0.08 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3fqg h VAL 314 Cb 0.89 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3fqg h VAL 314 CO 0.08 0.03 0.38 0.58 0.02 0.00 0.00 177.57 178.67 3fqg h VAL 315 N -0.08 1.22 0.21 2.57 2.07 -1.33 -2.13 116.25 118.77 3fqg h VAL 315 Ca -0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3fqg h VAL 315 Cb 0.08 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3fqg h VAL 315 CO 0.00 0.24 -0.12 0.25 0.02 0.00 0.00 177.57 177.96 3fqg h LEU 316 N 0.97 -0.31 -0.80 2.57 5.85 -1.16 0.14 115.31 122.57 3fqg h LEU 316 Ca 0.25 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.14 3fqg h LEU 316 Cb 0.04 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 3fqg h LEU 316 CO -0.04 -0.20 0.34 -0.08 -0.34 0.00 0.00 178.44 178.12 3fqg h GLU 317 N -0.32 0.45 -0.28 1.25 4.81 -1.16 0.18 114.58 119.51 3fqg h GLU 317 Ca -0.02 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 3fqg h GLU 317 Cb 0.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3fqg h GLU 317 CO 0.02 0.30 -0.50 0.45 -0.73 0.00 0.00 179.01 178.56 3fqg h HIS 318 N 0.47 0.95 -0.49 0.92 3.86 -1.04 -1.75 115.15 118.07 3fqg h HIS 318 Ca 0.45 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3fqg h HIS 318 Cb 0.72 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 3fqg h HIS 318 CO -0.15 1.11 0.30 0.00 0.86 0.00 0.00 177.93 180.05 3fqg h ALA 319 N 0.83 0.62 -0.31 2.45 0.00 0.12 -1.09 119.26 121.88 3fqg h ALA 319 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3fqg h ALA 319 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3fqg h ALA 319 CO 0.11 0.01 -0.33 -0.07 0.00 0.00 0.00 179.25 178.97 3fqg h LEU 320 N 0.61 0.71 -0.36 0.00 3.38 -0.55 -1.27 115.31 117.83 3fqg h LEU 320 Ca 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fqg h LEU 320 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3fqg h LEU 320 CO -0.07 0.99 0.07 -0.08 0.09 0.00 0.00 178.44 179.43 3fqg h GLU 321 N 0.58 0.59 -0.83 1.13 4.57 -1.22 -1.73 114.58 117.66 3fqg h GLU 321 Ca 0.06 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3fqg h GLU 321 Cb 0.84 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3fqg h GLU 321 CO 0.07 0.65 0.53 2.35 -1.18 0.00 0.00 179.01 181.43 3fqg h TRP 322 N 0.43 1.07 -0.18 0.92 7.01 -1.01 -1.34 115.95 122.86 3fqg h TRP 322 Ca 0.11 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3fqg h TRP 322 Cb 0.34 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3fqg h TRP 322 CO 0.02 0.70 0.08 0.82 -2.79 0.00 0.00 178.44 177.27 3fqg h ILE 323 N 1.14 1.14 0.13 2.65 2.04 -1.12 -1.98 117.51 121.52 3fqg h ILE 323 Ca 0.30 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3fqg h ILE 323 Cb -0.08 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3fqg h ILE 323 CO -0.06 0.13 -0.28 0.11 0.00 0.00 0.00 178.15 178.05 3fqg h LYS 324 N 0.15 -0.48 -0.57 2.37 1.57 -1.07 -0.77 116.57 117.77 3fqg h LYS 324 Ca 0.06 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3fqg h LYS 324 Cb 0.14 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3fqg h LYS 324 CO -0.01 -0.32 0.23 -0.56 -0.57 0.00 0.00 179.45 178.22 3fqg h GLN 325 N -0.50 0.82 0.51 3.15 3.07 -1.26 -1.86 115.11 119.04 3fqg h GLN 325 Ca 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 3fqg h GLN 325 Cb 0.52 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.94 3fqg h GLN 325 CO -0.15 0.67 -0.24 1.15 0.09 0.00 0.00 178.83 180.35 3fqg h THR 326 N 0.81 0.34 -0.92 1.86 2.02 -1.16 -3.13 112.91 112.74 3fqg h THR 326 Ca 0.19 -0.44 0.18 0.00 0.77 0.00 0.00 66.41 67.12 3fqg h THR 326 Cb 0.16 0.47 -0.11 0.00 -1.74 0.00 0.00 68.15 66.93 3fqg h THR 326 CO -0.02 0.05 0.49 0.58 0.37 0.00 0.00 175.52 177.00 3fqg h VAL 327 N -1.00 0.65 0.00 3.16 2.07 -1.09 -1.11 116.25 118.93 3fqg h VAL 327 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3fqg h VAL 327 Cb 0.61 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3fqg h VAL 327 CO 0.11 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.11 3fqg n LYS 328 N -4.88 0.44 0.00 1.57 5.02 -0.70 -1.72 118.16 117.89 3fqg n LYS 328 Ca 0.21 0.06 0.15 0.00 -2.02 0.00 0.00 58.31 56.70 3fqg n LYS 328 Cb 0.54 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.80 3fqg n LYS 328 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fqg n GLN 329 N -1.16 1.24 -4.30 1.97 6.02 -0.42 -4.84 117.38 115.89 3fqg n GLN 329 Ca 0.12 -0.41 -0.20 0.00 -0.01 0.00 0.00 57.00 56.50 3fqg n GLN 329 Cb 0.12 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 3fqg n GLN 329 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3fqg s HIS 330 N -2.04 1.66 0.75 1.08 3.76 -0.70 -5.14 115.29 114.67 3fqg s HIS 330 Ca 0.42 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.67 3fqg s HIS 330 Cb 0.21 -0.83 0.05 0.00 1.11 0.00 0.00 32.58 33.12 3fqg s HIS 330 CO 0.37 0.27 1.22 -0.35 -0.85 0.00 0.00 174.74 175.39 3fqg n PRO 331 N 0.28 0.49 -0.68 8.40 -0.04 -1.26 -4.96 135.00 137.23 3fqg n PRO 331 Ca -0.13 0.24 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 3fqg n PRO 331 Cb 0.57 -2.46 0.17 0.00 -0.04 0.00 0.00 33.50 31.75 3fqg n PRO 331 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3fqg n PRO 332 N -2.77 -0.75 -1.11 0.54 -0.04 -1.26 -3.03 135.00 126.58 3fqg n PRO 332 Ca 0.14 -0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 3fqg n PRO 332 Cb 0.50 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 3fqg n PRO 332 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3fqg n SER 333 N -3.43 -4.59 -4.66 3.54 7.64 0.22 -4.90 113.62 107.44 3fqg n SER 333 Ca 0.09 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.65 3fqg n SER 333 Cb 0.53 -2.42 -0.04 0.00 -1.01 0.00 0.00 64.21 61.27 3fqg n SER 333 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fqg s THR 334 N -1.76 4.86 0.05 0.44 2.01 -1.17 -4.97 115.64 115.10 3fqg s THR 334 Ca 0.00 1.61 -0.22 0.00 0.31 0.00 0.00 61.69 63.39 3fqg s THR 334 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 3fqg s THR 334 CO 0.00 -0.02 0.66 -1.61 -0.69 0.00 0.00 174.62 172.96 3fqg s GLU 335 N 2.48 4.38 0.15 4.92 2.02 -1.26 -4.29 118.70 127.09 3fqg s GLU 335 Ca 0.37 0.89 0.07 0.00 0.02 0.00 0.00 54.97 56.31 3fqg s GLU 335 Cb -0.16 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 3fqg s GLU 335 CO 0.10 0.43 -0.15 -0.06 0.02 0.00 0.00 175.26 175.61 3fqg s PHE 336 N -0.50 1.53 -0.15 1.61 0.40 -0.25 -0.59 117.98 120.04 3fqg s PHE 336 Ca 0.33 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3fqg s PHE 336 Cb -0.20 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 3fqg s PHE 336 CO 0.20 0.21 -0.07 0.99 0.70 0.00 0.00 175.22 177.26 3fqg s THR 337 N -2.39 3.56 -0.24 0.64 2.01 0.29 -1.47 115.64 118.06 3fqg s THR 337 Ca 0.13 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 3fqg s THR 337 Cb -0.04 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 3fqg s THR 337 CO 0.04 0.50 0.04 -0.22 -0.69 0.00 0.00 174.62 174.30 3fqg s LEU 338 N 0.40 3.32 0.03 4.42 2.96 0.65 -0.34 118.68 130.11 3fqg s LEU 338 Ca -0.06 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3fqg s LEU 338 Cb -0.15 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3fqg s LEU 338 CO 0.04 -0.02 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.39 3fqg s SER 339 N 1.53 2.52 -0.18 3.68 0.01 0.29 -0.39 113.70 121.16 3fqg s SER 339 Ca 0.06 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3fqg s SER 339 Cb -0.15 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.88 3fqg s SER 339 CO 0.02 0.19 -0.15 -0.47 0.41 0.00 0.00 173.24 173.24 3fqg s TYR 340 N -0.72 2.51 -0.42 2.43 5.04 -0.56 -1.43 117.35 124.21 3fqg s TYR 340 Ca 0.08 -1.52 0.10 0.00 -2.44 0.00 0.00 57.07 53.28 3fqg s TYR 340 Cb -0.09 -1.75 0.41 0.00 0.35 0.00 0.00 41.96 40.89 3fqg s TYR 340 CO 0.01 -0.75 1.01 0.25 -1.34 0.00 0.00 175.55 174.73 3fqg n THR 341 N 4.68 1.83 -0.97 4.34 -2.24 -1.26 -1.84 114.28 118.82 3fqg n THR 341 Ca -0.18 -4.43 0.05 0.00 -2.27 0.00 0.00 64.05 57.22 3fqg n THR 341 Cb 0.49 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 3fqg n THR 341 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fqg n GLY 342 N -0.25 -2.11 7.00 3.38 0.00 -1.26 -5.04 105.19 106.91 3fqg n GLY 342 Ca 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3fqg n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqg n GLY 343 N -1.64 -0.53 2.55 -0.02 0.00 -1.26 -4.41 105.19 99.88 3fqg n GLY 343 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3fqg n GLY 343 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fqg n SER 344 N -0.25 2.85 -3.88 1.61 3.41 -1.26 -4.92 113.62 111.18 3fqg n SER 344 Ca 0.00 -2.93 -0.11 0.00 -0.26 0.00 0.00 58.87 55.57 3fqg n SER 344 Cb 0.00 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 3fqg n SER 344 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3fqg s LYS 345 N -3.50 0.52 0.07 4.33 -2.85 -1.26 -1.67 119.74 115.38 3fqg s LYS 345 Ca 0.36 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 3fqg s LYS 345 Cb 0.40 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 36.34 3fqg s LYS 345 CO -0.03 -0.13 0.21 -0.51 0.10 0.00 0.00 175.35 174.99 3fqg s LEU 346 N -1.58 4.33 -0.10 2.77 1.43 0.74 -4.61 118.68 121.67 3fqg s LEU 346 Ca -0.12 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3fqg s LEU 346 Cb -0.06 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.25 3fqg s LEU 346 CO -0.00 0.16 -0.12 -0.69 0.23 0.00 0.00 176.35 175.93 3fqg s VAL 347 N -1.52 1.24 -0.25 -1.59 1.01 -0.51 -1.46 120.40 117.32 3fqg s VAL 347 Ca 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3fqg s VAL 347 Cb -0.13 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3fqg s VAL 347 CO 0.28 0.39 0.03 -0.22 0.00 0.00 0.00 175.10 175.58 3fqg s LEU 348 N 1.15 3.30 -0.13 3.92 2.96 -0.09 -0.55 118.68 129.25 3fqg s LEU 348 Ca -0.05 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3fqg s LEU 348 Cb -0.14 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.70 3fqg s LEU 348 CO -0.03 -0.05 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.13 3fqg s ARG 349 N 1.55 2.98 -0.01 1.98 3.52 0.54 -1.31 118.95 128.20 3fqg s ARG 349 Ca 0.06 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 3fqg s ARG 349 Cb -0.15 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 3fqg s ARG 349 CO 0.01 0.04 1.19 -1.14 -0.81 0.00 0.00 175.30 174.59 3fqg s GLN 350 N 0.69 4.39 -0.44 5.12 0.74 -0.76 -0.55 119.66 128.85 3fqg s GLN 350 Ca -0.10 1.69 -0.24 0.00 0.05 0.00 0.00 55.36 56.76 3fqg s GLN 350 Cb -0.16 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.48 3fqg s GLN 350 CO 0.01 -0.37 0.86 0.42 -0.55 0.00 0.00 175.29 175.67 3fqg s ILE 351 N 1.79 4.57 -2.46 -2.34 1.01 0.24 -4.44 121.20 119.57 3fqg s ILE 351 Ca 0.57 0.70 0.20 0.00 0.00 0.00 0.00 60.65 62.11 3fqg s ILE 351 Cb -0.26 -4.36 0.16 0.00 0.01 0.00 0.00 42.46 38.00 3fqg s ILE 351 CO 0.25 -0.72 1.12 2.30 0.00 0.00 0.00 174.94 177.89