#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c2x s ASP 2 N 0.00 3.71 0.00 1.62 1.01 -1.26 -5.00 116.67 116.75 3c2x s ASP 2 Ca 0.00 -3.51 0.00 0.00 0.71 0.00 0.00 52.55 49.75 3c2x s ASP 2 Cb 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.70 3c2x s ASP 2 CO 0.00 -0.13 0.69 -2.65 0.21 0.00 0.00 175.17 173.30 3c2x n PRO 3 N 2.37 0.00 0.00 8.23 -0.02 -1.26 -4.54 135.00 139.78 3c2x n PRO 3 Ca 0.22 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3c2x n PRO 3 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3c2x n PRO 3 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3c2x n PRO 4 N -1.19 0.54 -1.24 0.52 -0.02 -1.26 -4.78 135.00 127.56 3c2x n PRO 4 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 3c2x n PRO 4 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3c2x n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3c2x n ALA 5 N -1.53 0.52 -3.35 3.55 0.00 -1.26 -4.81 120.51 113.62 3c2x n ALA 5 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 53.44 52.20 3c2x n ALA 5 Cb 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3c2x n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c2x n GLY 7 N 5.36 0.00 3.69 0.00 0.00 -1.26 -4.99 105.19 107.98 3c2x n GLY 7 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3c2x n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3c2x s SER 8 N -1.23 6.28 -0.02 1.61 1.04 -1.26 -5.08 113.70 115.04 3c2x s SER 8 Ca 0.00 0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 3c2x s SER 8 Cb 0.00 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 64.00 3c2x s SER 8 CO 0.00 0.06 0.03 -0.63 0.98 0.00 0.00 173.24 173.68 3c2x s ILE 9 N 0.87 -0.05 -0.41 -1.02 1.01 -1.26 -4.50 121.20 115.83 3c2x s ILE 9 Ca 0.12 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 3c2x s ILE 9 Cb -0.13 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.26 3c2x s ILE 9 CO 0.04 0.09 1.42 -0.69 0.00 0.00 0.00 174.94 175.80 3c2x s VAL 10 N 1.10 3.90 0.84 2.92 1.01 0.46 -4.89 120.40 125.74 3c2x s VAL 10 Ca -0.09 0.91 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 3c2x s VAL 10 Cb -0.13 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.15 3c2x s VAL 10 CO -0.03 -0.76 1.12 -2.16 0.00 0.00 0.00 175.10 173.27 3c2x s PRO 11 N 4.95 1.67 0.22 2.72 0.04 -1.26 -1.55 135.00 141.79 3c2x s PRO 11 Ca 0.61 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3c2x s PRO 11 Cb -0.14 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.89 3c2x s PRO 11 CO 0.33 -2.12 1.65 0.00 0.04 0.00 0.00 177.00 176.90 3c2x h ARG 12 N -1.45 0.08 0.00 4.56 3.08 -1.94 -1.04 114.38 117.68 3c2x h ARG 12 Ca -0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3c2x h ARG 12 Cb 1.25 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3c2x h ARG 12 CO 0.47 0.05 0.00 0.54 -1.07 0.00 0.00 179.97 179.96 3c2x n ARG 13 N -5.33 0.13 0.06 0.04 1.74 -1.26 -1.07 116.66 110.98 3c2x n ARG 13 Ca 0.09 0.31 -0.11 0.00 -0.77 0.00 0.00 57.85 57.37 3c2x n ARG 13 Cb 0.36 -1.72 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 3c2x n ARG 13 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3c2x h GLU 14 N 0.00 0.10 -0.62 5.56 4.81 -1.54 -3.11 114.58 119.78 3c2x h GLU 14 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3c2x h GLU 14 Cb 0.40 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3c2x h GLU 14 CO 0.00 1.02 0.00 -2.67 -0.73 0.00 0.00 179.01 176.63 3c2x n TRP 15 N -3.38 0.99 -3.42 0.92 4.27 -1.02 -4.94 117.44 110.86 3c2x n TRP 15 Ca -0.06 -0.44 -0.18 0.00 -3.89 0.00 0.00 57.50 52.93 3c2x n TRP 15 Cb 0.98 -0.09 0.08 0.00 -1.36 0.00 0.00 31.31 30.93 3c2x n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3c2x n ARG 16 N 1.12 -6.70 -2.37 -2.67 1.74 -0.90 -4.47 116.66 102.40 3c2x n ARG 16 Ca 0.21 0.81 -0.37 0.00 -0.77 0.00 0.00 57.85 57.72 3c2x n ARG 16 Cb 0.62 -5.74 -0.02 0.00 -1.02 0.00 0.00 32.46 26.29 3c2x n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3c2x s ALA 17 N -3.34 3.10 0.54 7.54 0.00 -0.23 -4.95 121.76 124.42 3c2x s ALA 17 Ca 0.14 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 3c2x s ALA 17 Cb -0.06 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3c2x s ALA 17 CO 0.70 -0.44 1.11 -0.51 0.00 0.00 0.00 175.76 176.62 3c2x s LEU 18 N -2.62 3.75 0.67 0.00 1.43 -1.26 -4.84 118.68 115.81 3c2x s LEU 18 Ca 0.58 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.64 3c2x s LEU 18 Cb -0.27 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.38 3c2x s LEU 18 CO 0.34 -1.16 1.22 0.00 0.23 0.00 0.00 176.35 176.98 3c2x s ALA 19 N -1.84 2.30 0.16 4.21 0.00 -1.26 -4.99 121.76 120.34 3c2x s ALA 19 Ca 0.71 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 3c2x s ALA 19 Cb -0.22 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3c2x s ALA 19 CO 0.27 -1.60 0.60 0.45 0.00 0.00 0.00 175.76 175.48 3c2x s SER 20 N -1.80 6.92 0.00 0.00 0.15 -1.26 -4.94 113.70 112.78 3c2x s SER 20 Ca 0.77 1.20 0.13 0.00 0.70 0.00 0.00 55.95 58.75 3c2x s SER 20 Cb -0.31 -2.33 0.30 0.00 -1.71 0.00 0.00 66.02 61.97 3c2x s SER 20 CO 0.41 0.10 1.20 -0.62 1.20 0.00 0.00 173.24 175.53 3c2x n GLU 21 N 0.89 2.29 -2.57 5.44 -0.58 0.11 -5.00 120.64 121.22 3c2x n GLU 21 Ca -0.05 -1.93 -0.40 0.00 -0.42 0.00 0.00 57.16 54.36 3c2x n GLU 21 Cb 0.51 -1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 3c2x n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3c2x n ARG 23 N 1.45 2.29 -1.95 0.00 5.12 -1.26 -5.05 116.66 117.26 3c2x n ARG 23 Ca -0.01 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 3c2x n ARG 23 Cb 0.46 -0.75 -0.03 0.00 -1.16 0.00 0.00 32.46 30.97 3c2x n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3c2x s GLU 24 N -1.37 4.19 0.41 5.56 2.02 -1.26 -4.98 118.70 123.27 3c2x s GLU 24 Ca 0.00 2.28 0.02 0.00 0.02 0.00 0.00 54.97 57.29 3c2x s GLU 24 Cb 0.00 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 3c2x s GLU 24 CO 0.00 -0.78 0.61 1.03 0.02 0.00 0.00 175.26 176.13 3c2x s ARG 25 N 3.29 3.14 0.21 1.61 0.52 -1.26 -1.28 118.95 125.19 3c2x s ARG 25 Ca 0.74 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 55.38 3c2x s ARG 25 Cb -0.37 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3c2x s ARG 25 CO 0.32 -0.13 0.40 -0.51 0.02 0.00 0.00 175.30 175.40 3c2x s LEU 26 N -4.43 4.22 -0.41 2.53 1.43 0.58 -4.46 118.68 118.14 3c2x s LEU 26 Ca 0.46 0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 53.74 3c2x s LEU 26 Cb -0.10 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3c2x s LEU 26 CO 0.36 -0.06 0.70 -0.89 0.23 0.00 0.00 176.35 176.69 3c2x s THR 27 N -1.90 4.78 0.27 5.49 2.01 -1.26 -4.93 115.64 120.11 3c2x s THR 27 Ca 0.38 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 3c2x s THR 27 Cb -0.11 -4.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 3c2x s THR 27 CO 0.29 -0.53 1.04 -0.13 -0.69 0.00 0.00 174.62 174.61 3c2x s ARG 28 N 2.96 4.69 0.18 4.92 0.52 -1.26 -3.53 118.95 127.42 3c2x s ARG 28 Ca 0.26 1.69 -0.04 0.00 -0.52 0.00 0.00 55.73 57.12 3c2x s ARG 28 Cb -0.13 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 3c2x s ARG 28 CO 0.19 0.30 0.41 -1.25 0.02 0.00 0.00 175.30 174.96 3c2x s PRO 29 N -1.42 3.60 0.09 3.54 0.04 -1.26 -5.12 135.00 134.46 3c2x s PRO 29 Ca 0.44 -0.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.09 3c2x s PRO 29 Cb -0.29 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 3c2x s PRO 29 CO 0.37 0.42 0.78 0.08 0.04 0.00 0.00 177.00 178.69 3c2x s VAL 30 N -1.77 4.60 0.01 -0.36 1.01 0.07 -4.67 120.40 119.30 3c2x s VAL 30 Ca 0.41 1.67 0.09 0.00 0.00 0.00 0.00 61.98 64.15 3c2x s VAL 30 Cb -0.12 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.91 3c2x s VAL 30 CO 0.26 0.41 0.87 -0.09 0.00 0.00 0.00 175.10 176.56 3c2x h ARG 31 N 5.23 0.02 -6.70 2.72 2.43 -1.90 -0.44 114.38 115.75 3c2x h ARG 31 Ca -0.45 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.01 3c2x h ARG 31 Cb 1.21 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.59 3c2x h ARG 31 CO 0.69 0.72 -0.80 0.71 -1.51 0.00 0.00 179.97 179.79 3c2x s TYR 32 N -2.64 2.50 -0.11 2.20 1.51 -1.22 -0.39 117.35 119.21 3c2x s TYR 32 Ca -0.03 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 3c2x s TYR 32 Cb 0.09 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3c2x s TYR 32 CO 0.82 0.41 -0.07 0.08 -1.11 0.00 0.00 175.55 175.68 3c2x s VAL 33 N -1.26 0.95 -0.22 0.71 1.01 0.06 -0.94 120.40 120.71 3c2x s VAL 33 Ca 0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 3c2x s VAL 33 Cb -0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3c2x s VAL 33 CO 0.10 0.35 0.06 -0.69 0.00 0.00 0.00 175.10 174.92 3c2x s VAL 34 N 1.68 4.40 -0.24 2.92 1.01 -0.52 0.02 120.40 129.67 3c2x s VAL 34 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3c2x s VAL 34 Cb -0.13 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3c2x s VAL 34 CO -0.07 0.39 0.17 -0.69 0.00 0.00 0.00 175.10 174.90 3c2x s VAL 35 N 1.13 5.35 0.44 2.92 1.01 0.68 -2.07 120.40 129.86 3c2x s VAL 35 Ca 0.04 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3c2x s VAL 35 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3c2x s VAL 35 CO 0.03 0.33 0.12 -0.94 0.00 0.00 0.00 175.10 174.64 3c2x s SER 36 N 1.11 3.10 0.04 3.32 1.04 -0.89 -0.48 113.70 120.94 3c2x s SER 36 Ca 0.08 -1.71 0.03 0.00 0.48 0.00 0.00 55.95 54.83 3c2x s SER 36 Cb -0.14 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3c2x s SER 36 CO 0.05 -0.96 -0.10 -1.38 0.98 0.00 0.00 173.24 171.83 3c2x s HIS 37 N -3.13 0.86 0.11 5.02 -3.43 -1.26 -1.77 115.29 111.69 3c2x s HIS 37 Ca 0.19 -0.41 0.30 0.00 -0.80 0.00 0.00 55.06 54.34 3c2x s HIS 37 Cb 0.01 -0.51 1.19 0.00 -1.43 0.00 0.00 32.58 31.85 3c2x s HIS 37 CO 0.13 -0.02 1.93 1.79 -2.00 0.00 0.00 174.74 176.56 3c2x h THR 38 N 4.53 0.20 -1.73 -5.38 1.35 -1.39 -3.46 112.91 107.02 3c2x h THR 38 Ca -0.36 -0.73 -0.36 0.00 -0.55 0.00 0.00 66.41 64.41 3c2x h THR 38 Cb 1.19 1.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.14 3c2x h THR 38 CO 0.42 0.08 -0.40 0.00 -0.25 0.00 0.00 175.52 175.37 3c2x n ALA 39 N -2.14 -0.40 -2.86 6.62 0.00 -0.01 -4.92 120.51 116.79 3c2x n ALA 39 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3c2x n ALA 39 Cb 0.35 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3c2x n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c2x n GLY 40 N -0.91 5.81 3.78 0.00 0.00 -1.23 -4.78 105.19 107.86 3c2x n GLY 40 Ca -0.20 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 3c2x n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c2x s SER 41 N 0.23 6.17 0.40 1.61 0.01 -1.26 -3.45 113.70 117.40 3c2x s SER 41 Ca 0.00 2.18 0.08 0.00 1.31 0.00 0.00 55.95 59.52 3c2x s SER 41 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3c2x s SER 41 CO 0.00 -0.91 0.52 -1.38 0.41 0.00 0.00 173.24 171.88 3c2x s HIS 42 N -1.67 2.88 -0.04 2.43 -0.00 -1.26 -3.86 115.29 113.77 3c2x s HIS 42 Ca 0.65 -0.36 -0.11 0.00 -0.00 0.00 0.00 55.06 55.24 3c2x s HIS 42 Cb -0.25 -2.25 0.02 0.00 -0.00 0.00 0.00 32.58 30.10 3c2x s HIS 42 CO 0.30 -0.28 0.26 0.00 -0.00 0.00 0.00 174.74 175.01 3c2x n ASP 44 N 1.88 1.53 -4.12 0.00 5.68 -1.26 -2.37 116.55 117.90 3c2x n ASP 44 Ca -0.19 -2.62 -0.14 0.00 -0.50 0.00 0.00 54.79 51.35 3c2x n ASP 44 Cb 0.57 -0.32 -0.11 0.00 -1.14 0.00 0.00 41.12 40.12 3c2x n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3c2x s THR 45 N -1.78 0.73 0.28 2.12 -4.23 -1.26 -4.33 115.64 107.17 3c2x s THR 45 Ca 0.19 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3c2x s THR 45 Cb 0.17 -1.03 0.27 0.00 1.34 0.00 0.00 72.50 73.25 3c2x s THR 45 CO 0.02 -0.49 1.90 -0.65 -0.54 0.00 0.00 174.62 174.85 3c2x h PRO 46 N 3.98 1.11 -0.19 3.99 0.11 -1.96 -0.06 132.00 138.98 3c2x h PRO 46 Ca -0.37 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3c2x h PRO 46 Cb 1.19 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3c2x h PRO 46 CO 0.48 0.74 0.09 0.00 -0.21 0.00 0.00 178.00 179.10 3c2x h ALA 47 N 1.47 0.22 0.00 -0.75 0.00 -2.00 -1.78 119.26 116.42 3c2x h ALA 47 Ca 0.41 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 3c2x h ALA 47 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3c2x h ALA 47 CO -0.15 -0.33 -0.57 0.66 0.00 0.00 0.00 179.25 178.85 3c2x h SER 48 N 0.20 0.00 1.26 0.00 4.64 -1.88 -3.11 113.55 114.65 3c2x h SER 48 Ca 0.08 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 3c2x h SER 48 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3c2x h SER 48 CO -0.06 0.57 -0.62 0.00 -0.87 0.00 0.00 176.83 175.86 3c2x h ALA 50 N 1.38 0.55 -0.53 0.00 0.00 -1.35 -1.99 119.26 117.32 3c2x h ALA 50 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3c2x h ALA 50 Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3c2x h ALA 50 CO 0.08 0.68 0.12 0.37 0.00 0.00 0.00 179.25 180.50 3c2x h GLN 51 N 0.63 0.85 -0.52 0.00 5.75 -1.46 -2.08 115.11 118.27 3c2x h GLN 51 Ca 0.02 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.25 3c2x h GLN 51 Cb 1.11 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3c2x h GLN 51 CO 0.11 0.81 0.09 0.37 -2.65 0.00 0.00 178.83 177.57 3c2x h GLN 52 N 0.75 0.82 -0.38 1.69 5.75 -1.10 -0.13 115.11 122.51 3c2x h GLN 52 Ca 0.17 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3c2x h GLN 52 Cb 0.35 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3c2x h GLN 52 CO 0.00 0.77 0.05 0.00 -2.65 0.00 0.00 178.83 177.00 3c2x h ALA 53 N 1.31 0.50 -0.76 3.38 0.00 -1.16 -0.03 119.26 122.50 3c2x h ALA 53 Ca 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3c2x h ALA 53 Cb 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3c2x h ALA 53 CO 0.01 0.22 0.48 0.37 0.00 0.00 0.00 179.25 180.32 3c2x h GLN 54 N 0.47 0.90 -0.49 0.00 4.15 -0.97 -0.79 115.11 118.38 3c2x h GLN 54 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3c2x h GLN 54 Cb 0.38 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3c2x h GLN 54 CO 0.01 0.60 0.25 -0.91 -1.93 0.00 0.00 178.83 176.84 3c2x h ASN 55 N 0.93 0.64 -0.59 -0.69 2.35 -0.54 0.19 115.58 117.86 3c2x h ASN 55 Ca 0.31 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 3c2x h ASN 55 Cb 0.03 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3c2x h ASN 55 CO -0.12 0.57 0.06 0.58 -1.65 0.00 0.00 177.43 176.88 3c2x h VAL 56 N 0.65 1.26 -0.54 2.81 2.07 -0.46 -0.97 116.25 121.07 3c2x h VAL 56 Ca 0.17 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 3c2x h VAL 56 Cb 0.10 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3c2x h VAL 56 CO -0.02 0.39 0.09 -0.61 0.02 0.00 0.00 177.57 177.44 3c2x h GLN 57 N 0.96 0.90 -0.42 1.57 4.15 -0.88 -1.75 115.11 119.64 3c2x h GLN 57 Ca 0.18 -0.24 0.07 0.00 0.77 0.00 0.00 58.65 59.44 3c2x h GLN 57 Cb 0.47 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 3c2x h GLN 57 CO 0.02 0.87 0.06 1.03 -1.93 0.00 0.00 178.83 178.88 3c2x h SER 58 N 0.78 -0.04 0.06 -0.69 0.87 -0.18 0.15 113.55 114.51 3c2x h SER 58 Ca 0.17 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3c2x h SER 58 Cb 0.40 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3c2x h SER 58 CO 0.01 0.02 -0.03 0.22 -0.53 0.00 0.00 176.83 176.52 3c2x h TYR 59 N 0.19 -0.08 -0.06 2.24 3.20 -0.93 -0.37 116.97 121.16 3c2x h TYR 59 Ca 0.21 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3c2x h TYR 59 Cb 0.26 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3c2x h TYR 59 CO -0.22 -0.00 0.03 0.45 -1.64 0.00 0.00 178.16 176.78 3c2x h HIS 60 N -0.13 0.08 0.38 -3.82 3.86 -0.84 -0.18 115.15 114.50 3c2x h HIS 60 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3c2x h HIS 60 Cb 0.11 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3c2x h HIS 60 CO -0.06 0.10 -0.18 0.28 0.86 0.00 0.00 177.93 178.93 3c2x h VAL 61 N 0.03 0.05 -0.53 2.45 2.07 -0.74 -2.35 116.25 117.24 3c2x h VAL 61 Ca 0.02 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 3c2x h VAL 61 Cb 0.05 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3c2x h VAL 61 CO -0.00 0.01 -0.09 0.03 0.02 0.00 0.00 177.57 177.54 3c2x h ARG 62 N -1.12 0.98 0.05 1.57 -0.00 -1.18 -2.44 114.38 112.23 3c2x h ARG 62 Ca -0.05 -0.34 -0.38 0.00 -0.50 0.00 0.00 59.98 58.71 3c2x h ARG 62 Cb 0.41 -0.07 -0.05 0.00 0.00 0.00 0.00 29.97 30.26 3c2x h ARG 62 CO 0.09 1.01 -2.26 0.09 0.00 0.00 0.00 179.97 178.90 3c2x n ASN 63 N -4.15 2.04 0.04 7.04 4.13 -0.11 -4.51 115.26 119.73 3c2x n ASN 63 Ca 0.02 0.03 0.12 0.00 1.68 0.00 0.00 54.58 56.42 3c2x n ASN 63 Cb 0.38 -0.62 0.13 0.00 -1.54 0.00 0.00 39.78 38.14 3c2x n ASN 63 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3c2x n LEU 64 N -3.41 0.63 -0.04 3.41 4.77 -0.99 -4.97 117.00 116.41 3c2x n LEU 64 Ca -0.40 0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3c2x n LEU 64 Cb 1.00 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3c2x n LEU 64 CO 0.32 0.02 -0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3c2x n GLY 65 N 1.38 0.47 3.79 -0.72 0.00 -0.92 -4.99 105.19 104.21 3c2x n GLY 65 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3c2x n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3c2x s TRP 66 N -1.95 2.78 -0.80 1.61 0.51 -0.93 -4.94 118.94 115.21 3c2x s TRP 66 Ca 0.00 1.19 0.25 0.00 -2.12 0.00 0.00 56.10 55.42 3c2x s TRP 66 Cb 0.00 -3.11 0.94 0.00 -0.81 0.00 0.00 33.47 30.49 3c2x s TRP 66 CO 0.00 -1.82 1.76 0.00 -0.51 0.00 0.00 176.95 176.38 3c2x s ASP 68 N -3.78 -0.01 0.36 0.00 2.15 -1.26 -0.71 116.67 113.42 3c2x s ASP 68 Ca 0.10 -0.34 -0.27 0.00 0.43 0.00 0.00 52.55 52.47 3c2x s ASP 68 Cb 0.13 0.27 -0.12 0.00 -0.30 0.00 0.00 42.92 42.90 3c2x s ASP 68 CO 0.48 -0.53 1.15 0.55 -0.17 0.00 0.00 175.17 176.66 3c2x n VAL 69 N -0.76 2.19 0.14 1.11 3.14 -1.26 -4.55 118.33 118.34 3c2x n VAL 69 Ca -0.01 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.87 3c2x n VAL 69 Cb 0.60 -1.33 0.21 0.00 -1.06 0.00 0.00 33.84 32.25 3c2x n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3c2x h GLY 70 N 2.10 0.03 -2.41 7.55 0.00 -1.92 -3.41 103.07 105.02 3c2x h GLY 70 Ca -0.44 -0.04 -0.46 0.00 0.00 0.00 0.00 47.33 46.39 3c2x h GLY 70 CO 0.60 0.03 0.28 -0.19 0.00 0.00 0.00 176.54 177.27 3c2x s TYR 71 N -3.78 3.39 0.19 5.60 1.51 -1.26 -0.65 117.35 122.34 3c2x s TYR 71 Ca -0.02 1.55 0.02 0.00 -1.01 0.00 0.00 57.07 57.60 3c2x s TYR 71 Cb 0.13 -2.79 0.11 0.00 -0.11 0.00 0.00 41.96 39.30 3c2x s TYR 71 CO 0.76 -0.01 1.46 -0.91 -1.11 0.00 0.00 175.55 175.74 3c2x h ASN 72 N 2.20 0.35 -5.02 2.29 4.21 -1.15 -2.20 115.58 116.25 3c2x h ASN 72 Ca -0.48 -0.23 -0.11 0.00 1.21 0.00 0.00 56.30 56.69 3c2x h ASN 72 Cb 1.18 -0.10 -0.18 0.00 -1.12 0.00 0.00 38.32 38.09 3c2x h ASN 72 CO 0.63 0.96 -0.27 -0.36 -1.29 0.00 0.00 177.43 177.10 3c2x s PHE 73 N -3.55 -0.14 0.11 1.19 0.40 -1.15 -0.56 117.98 114.28 3c2x s PHE 73 Ca -0.04 0.11 0.09 0.00 -0.60 0.00 0.00 56.93 56.49 3c2x s PHE 73 Cb 0.11 0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.69 3c2x s PHE 73 CO 0.82 -0.45 -0.23 -0.51 0.70 0.00 0.00 175.22 175.55 3c2x s LEU 74 N -1.70 2.30 -0.12 -0.37 1.02 -0.30 -1.68 118.68 117.82 3c2x s LEU 74 Ca -0.09 -0.70 0.03 0.00 0.02 0.00 0.00 54.13 53.39 3c2x s LEU 74 Cb -0.03 -1.03 0.00 0.00 0.02 0.00 0.00 46.19 45.15 3c2x s LEU 74 CO 0.00 0.12 -0.22 -0.63 0.02 0.00 0.00 176.35 175.64 3c2x s ILE 75 N -1.09 2.15 0.22 -0.59 -1.09 0.59 -0.23 121.20 121.16 3c2x s ILE 75 Ca 0.10 -0.97 0.05 0.00 -2.23 0.00 0.00 60.65 57.60 3c2x s ILE 75 Cb -0.10 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.90 3c2x s ILE 75 CO 0.05 0.55 0.30 -0.83 -1.23 0.00 0.00 174.94 173.78 3c2x s GLY 76 N 0.57 1.39 0.00 6.18 0.00 -0.67 -0.58 107.32 114.21 3c2x s GLY 76 Ca -0.13 -1.22 0.20 0.00 0.00 0.00 0.00 44.72 43.58 3c2x s GLY 76 CO 0.04 -1.24 1.65 1.18 0.00 0.00 0.00 173.10 174.73 3c2x n GLU 77 N -1.10 0.78 0.00 2.90 1.02 -1.00 -1.43 120.64 121.82 3c2x n GLU 77 Ca -0.08 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.20 3c2x n GLU 77 Cb 0.56 -1.40 0.59 0.00 -0.02 0.00 0.00 31.44 31.17 3c2x n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3c2x n ASP 78 N -0.90 0.61 0.00 1.62 5.75 -1.23 -4.70 116.55 117.70 3c2x n ASP 78 Ca 0.15 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 3c2x n ASP 78 Cb 0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3c2x n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3c2x n GLY 79 N 1.26 0.58 3.55 6.12 0.00 -0.51 -4.91 105.19 111.28 3c2x n GLY 79 Ca 0.15 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3c2x n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c2x s LEU 80 N 0.00 2.93 -0.13 0.99 1.43 -1.25 -4.69 118.68 117.95 3c2x s LEU 80 Ca 0.00 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 3c2x s LEU 80 Cb 0.00 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3c2x s LEU 80 CO 0.00 0.15 0.23 -0.69 0.23 0.00 0.00 176.35 176.27 3c2x s VAL 81 N -1.40 5.35 -0.19 -1.59 1.01 -1.26 -1.67 120.40 120.64 3c2x s VAL 81 Ca 0.22 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 3c2x s VAL 81 Cb -0.10 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3c2x s VAL 81 CO 0.13 0.50 -0.03 -0.31 0.00 0.00 0.00 175.10 175.39 3c2x s TYR 82 N -0.23 2.99 0.05 5.22 1.51 0.68 -0.40 117.35 127.18 3c2x s TYR 82 Ca 0.15 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 3c2x s TYR 82 Cb -0.13 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 39.60 3c2x s TYR 82 CO 0.04 -0.29 1.72 -2.00 -1.11 0.00 0.00 175.55 173.92 3c2x s GLU 83 N 0.96 4.18 0.00 -0.62 2.56 -0.59 -1.15 118.70 124.03 3c2x s GLU 83 Ca 0.00 2.38 0.00 0.00 0.00 0.00 0.00 54.97 57.36 3c2x s GLU 83 Cb -0.15 -3.76 0.00 0.00 2.00 0.00 0.00 34.13 32.23 3c2x s GLU 83 CO 0.01 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.32 3c2x n GLY 84 N 4.13 0.79 0.15 -1.50 0.00 0.28 -4.54 105.19 104.49 3c2x n GLY 84 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3c2x n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3c2x h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -1.02 -3.47 114.38 114.58 3c2x h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3c2x h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3c2x h ARG 85 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3c2x n GLY 86 N 0.09 -2.11 0.20 0.04 0.00 -0.37 -4.10 105.19 98.93 3c2x n GLY 86 Ca 0.02 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.54 3c2x n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3c2x h TRP 87 N 0.00 0.00 -0.02 1.61 4.06 -1.94 -3.36 115.95 116.31 3c2x h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3c2x h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3c2x h TRP 87 CO 0.00 0.30 -0.34 0.09 -3.56 0.00 0.00 178.44 174.93 3c2x n ASN 88 N -3.33 2.07 -4.44 -3.49 3.02 -1.26 -4.82 115.26 103.02 3c2x n ASN 88 Ca 0.01 -1.53 -0.33 0.00 -0.03 0.00 0.00 54.58 52.70 3c2x n ASN 88 Cb 0.53 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.95 3c2x n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3c2x s ILE 89 N -2.17 3.14 0.32 2.41 -1.09 -1.26 -0.30 121.20 122.25 3c2x s ILE 89 Ca 0.18 -0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 3c2x s ILE 89 Cb 0.17 -2.28 -0.12 0.00 -1.58 0.00 0.00 42.46 38.65 3c2x s ILE 89 CO 0.46 0.56 1.54 1.17 -1.23 0.00 0.00 174.94 177.43 3c2x n LYS 90 N 2.93 2.63 -0.81 2.79 4.81 -0.40 -4.73 118.16 125.38 3c2x n LYS 90 Ca -0.18 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3c2x n LYS 90 Cb 0.52 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3c2x n LYS 90 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3c2x n GLY 91 N 1.55 1.76 2.57 3.14 0.00 -1.26 -4.95 105.19 108.00 3c2x n GLY 91 Ca 0.06 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 3c2x n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c2x s ALA 92 N -2.11 0.41 0.00 4.61 0.00 0.17 -4.84 121.76 120.01 3c2x s ALA 92 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 3c2x s ALA 92 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3c2x s ALA 92 CO 0.00 -2.11 0.00 -2.39 0.00 0.00 0.00 175.76 171.26 3c2x n HIS 93 N 3.92 0.00 -2.31 0.00 1.44 -1.26 -4.37 115.22 112.64 3c2x n HIS 93 Ca 0.14 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.89 3c2x n HIS 93 Cb 0.42 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.59 3c2x n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c2x n ALA 94 N 0.00 2.68 -0.25 1.59 0.00 -1.26 -5.06 120.51 118.21 3c2x n ALA 94 Ca 0.00 -2.59 0.03 0.00 0.00 0.00 0.00 53.44 50.88 3c2x n ALA 94 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3c2x n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c2x n GLY 95 N 0.10 -2.77 0.34 0.00 0.00 -1.26 -4.04 105.19 97.55 3c2x n GLY 95 Ca 0.09 -1.37 0.19 0.00 0.00 0.00 0.00 46.02 44.93 3c2x n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3c2x h PRO 96 N -0.23 0.00 0.00 1.61 0.13 -1.99 0.26 132.00 131.79 3c2x h PRO 96 Ca -0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 3c2x h PRO 96 Cb 0.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 3c2x h PRO 96 CO 0.01 0.00 -1.05 1.79 -0.23 0.00 0.00 178.00 178.52 3c2x h THR 97 N 0.00 0.30 0.00 1.56 1.35 -1.99 -3.40 112.91 110.72 3c2x h THR 97 Ca 0.02 -1.55 -0.30 0.00 -0.55 0.00 0.00 66.41 64.03 3c2x h THR 97 Cb 0.36 1.86 -0.06 0.00 -1.73 0.00 0.00 68.15 68.58 3c2x h THR 97 CO -0.00 0.17 -2.13 0.79 -0.25 0.00 0.00 175.52 174.11 3c2x n TRP 98 N -2.86 0.00 -0.33 4.73 7.02 -0.85 -4.58 117.44 120.57 3c2x n TRP 98 Ca -0.04 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.59 3c2x n TRP 98 Cb 0.69 -0.79 0.37 0.00 -2.42 0.00 0.00 31.31 29.16 3c2x n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3c2x h ASN 99 N 0.00 0.69 0.71 -0.99 2.35 -0.67 -1.61 115.58 116.06 3c2x h ASN 99 Ca -0.44 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3c2x h ASN 99 Cb 1.88 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.21 3c2x h ASN 99 CO -0.01 0.25 0.00 -0.81 -1.65 0.00 0.00 177.43 175.20 3c2x n PRO 100 N -4.70 0.19 -0.43 0.81 -0.04 -1.26 -3.78 135.00 125.78 3c2x n PRO 100 Ca 0.23 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 3c2x n PRO 100 Cb 0.61 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.66 3c2x n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3c2x n ILE 101 N -1.39 1.09 -3.96 0.52 -5.35 -0.64 -4.65 119.36 104.97 3c2x n ILE 101 Ca 0.09 -1.48 -0.08 0.00 -0.27 0.00 0.00 62.75 61.01 3c2x n ILE 101 Cb 0.26 0.14 -0.08 0.00 -1.74 0.00 0.00 39.64 38.22 3c2x n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3c2x s SER 102 N -2.19 0.22 -0.20 7.28 1.04 -1.00 -3.41 113.70 115.45 3c2x s SER 102 Ca 0.22 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 3c2x s SER 102 Cb 0.21 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 3c2x s SER 102 CO -0.01 -0.72 0.01 -0.63 0.98 0.00 0.00 173.24 172.87 3c2x s ILE 103 N -3.91 4.08 -0.23 -1.02 -1.09 -0.12 -4.69 121.20 114.23 3c2x s ILE 103 Ca 0.09 -0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.15 3c2x s ILE 103 Cb 0.06 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3c2x s ILE 103 CO -0.08 0.43 0.10 -0.83 -1.23 0.00 0.00 174.94 173.32 3c2x s GLY 104 N 0.95 1.88 -0.06 6.18 0.00 -1.26 -1.44 107.32 113.56 3c2x s GLY 104 Ca 0.02 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.86 3c2x s GLY 104 CO 0.02 0.34 -0.25 -0.26 0.00 0.00 0.00 173.10 172.95 3c2x s ILE 105 N 1.06 2.04 -0.05 0.90 -4.36 -0.88 -0.60 121.20 119.31 3c2x s ILE 105 Ca 0.05 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.43 3c2x s ILE 105 Cb -0.14 -1.73 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 3c2x s ILE 105 CO 0.04 0.57 -0.18 -0.55 0.24 0.00 0.00 174.94 175.05 3c2x s SER 106 N -0.12 2.33 -0.03 4.36 0.15 -0.68 -2.08 113.70 117.64 3c2x s SER 106 Ca -0.05 -0.39 -0.22 0.00 0.70 0.00 0.00 55.95 55.99 3c2x s SER 106 Cb -0.14 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.42 3c2x s SER 106 CO 0.04 0.16 0.66 -0.36 1.20 0.00 0.00 173.24 174.94 3c2x s PHE 107 N 0.07 3.64 -0.45 3.44 0.40 -0.73 -0.30 117.98 124.06 3c2x s PHE 107 Ca -0.06 1.25 -0.29 0.00 -0.60 0.00 0.00 56.93 57.24 3c2x s PHE 107 Cb -0.13 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.71 3c2x s PHE 107 CO 0.03 0.22 1.21 -1.64 0.70 0.00 0.00 175.22 175.74 3c2x s MET 108 N 0.27 3.72 0.00 0.44 -1.94 0.25 -2.01 119.30 120.03 3c2x s MET 108 Ca 0.35 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.03 3c2x s MET 108 Cb -0.18 -3.92 0.00 0.00 2.01 0.00 0.00 34.83 32.73 3c2x s MET 108 CO 0.18 -1.39 0.00 0.41 -0.01 0.00 0.00 175.02 174.21 3c2x n GLY 109 N 4.83 -0.15 3.03 -0.03 0.00 -1.25 -4.40 105.19 107.21 3c2x n GLY 109 Ca 0.13 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 3c2x n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3c2x s ASN 110 N -1.64 3.74 -0.53 1.61 3.84 -1.22 -0.83 114.94 119.90 3c2x s ASN 110 Ca 0.00 -1.05 0.02 0.00 0.21 0.00 0.00 52.86 52.04 3c2x s ASN 110 Cb 0.00 -1.36 0.45 0.00 -0.55 0.00 0.00 41.25 39.78 3c2x s ASN 110 CO 0.00 -0.15 1.69 -1.22 -2.79 0.00 0.00 177.10 174.63 3c2x n TYR 111 N 4.59 3.05 0.00 0.43 4.02 -1.26 -4.46 117.16 123.54 3c2x n TYR 111 Ca -0.15 -2.70 -0.18 0.00 -0.01 0.00 0.00 57.90 54.86 3c2x n TYR 111 Cb 0.45 -0.98 -0.09 0.00 -0.02 0.00 0.00 39.34 38.71 3c2x n TYR 111 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 176.86 176.37 3c2x h MET 112 N 2.16 0.71 0.00 -0.72 2.86 -1.87 -1.44 114.93 116.63 3c2x h MET 112 Ca 0.51 -0.65 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3c2x h MET 112 Cb 1.03 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3c2x h MET 112 CO 1.25 1.25 -0.09 0.09 1.06 0.00 0.00 176.91 180.47 3c2x n ASN 113 N -3.96 1.47 -3.97 1.22 4.13 -1.26 -3.72 115.26 109.17 3c2x n ASN 113 Ca -0.09 -2.26 -0.09 0.00 1.68 0.00 0.00 54.58 53.82 3c2x n ASN 113 Cb 0.78 -0.20 -0.10 0.00 -1.54 0.00 0.00 39.78 38.72 3c2x n ASN 113 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3c2x s ARG 114 N -1.37 0.45 0.15 3.52 0.52 -1.26 -5.05 118.95 115.92 3c2x s ARG 114 Ca 0.12 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.70 3c2x s ARG 114 Cb 0.10 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 3c2x s ARG 114 CO 0.01 -0.09 -0.08 0.14 0.02 0.00 0.00 175.30 175.30 3c2x s VAL 115 N -2.09 3.37 0.67 3.52 -7.23 -1.26 -4.41 120.40 112.98 3c2x s VAL 115 Ca -0.10 -1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 3c2x s VAL 115 Cb -0.05 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3c2x s VAL 115 CO -0.03 -0.03 1.09 -2.84 -0.31 0.00 0.00 175.10 172.98 3c2x s PRO 116 N -2.64 2.81 0.66 4.82 0.02 -1.26 -4.99 135.00 134.43 3c2x s PRO 116 Ca 0.24 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.36 3c2x s PRO 116 Cb -0.10 -1.96 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 3c2x s PRO 116 CO 0.15 -1.22 1.08 -1.25 -0.33 0.00 0.00 177.00 175.44 3c2x s PRO 117 N -4.40 2.90 0.33 5.54 0.04 -1.26 -4.81 135.00 133.34 3c2x s PRO 117 Ca 0.64 1.24 0.11 0.00 0.04 0.00 0.00 61.00 63.03 3c2x s PRO 117 Cb -0.18 -1.97 0.94 0.00 0.04 0.00 0.00 34.50 33.33 3c2x s PRO 117 CO 0.45 -1.15 1.71 -1.35 0.04 0.00 0.00 177.00 176.71 3c2x h PRO 118 N -0.10 0.50 -0.20 0.56 0.11 -1.98 0.85 132.00 131.74 3c2x h PRO 118 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3c2x h PRO 118 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3c2x h PRO 118 CO 0.55 0.33 0.02 0.07 -0.21 0.00 0.00 178.00 178.76 3c2x h ARG 119 N 0.51 0.29 -0.22 1.05 0.11 -1.93 0.21 114.38 114.40 3c2x h ARG 119 Ca 0.67 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 60.57 3c2x h ARG 119 Cb 1.35 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3c2x h ARG 119 CO -0.51 0.31 -0.41 0.00 0.10 0.00 0.00 179.97 179.46 3c2x h ALA 120 N 1.74 0.35 -0.73 0.08 0.00 -1.08 -1.96 119.26 117.65 3c2x h ALA 120 Ca 0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3c2x h ALA 120 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3c2x h ALA 120 CO 0.00 0.46 0.25 -0.07 0.00 0.00 0.00 179.25 179.89 3c2x h LEU 121 N 0.37 1.04 -0.47 0.00 3.38 -0.88 -2.16 115.31 116.60 3c2x h LEU 121 Ca 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3c2x h LEU 121 Cb 1.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3c2x h LEU 121 CO 0.09 0.95 0.12 0.03 0.09 0.00 0.00 178.44 179.72 3c2x h ARG 122 N 1.08 0.74 -0.24 1.13 3.08 -0.93 -1.55 114.38 117.70 3c2x h ARG 122 Ca 0.24 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3c2x h ARG 122 Cb 0.26 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3c2x h ARG 122 CO -0.01 0.73 0.06 0.00 -1.07 0.00 0.00 179.97 179.68 3c2x h ALA 123 N 0.98 0.26 0.16 0.04 0.00 -1.03 0.95 119.26 120.62 3c2x h ALA 123 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3c2x h ALA 123 Cb 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3c2x h ALA 123 CO 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 179.25 178.73 3c2x h ALA 124 N 1.17 -0.33 -0.53 0.00 0.00 -1.26 0.48 119.26 118.80 3c2x h ALA 124 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3c2x h ALA 124 Cb 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3c2x h ALA 124 CO -0.13 -0.71 0.35 1.96 0.00 0.00 0.00 179.25 180.71 3c2x h GLN 125 N -0.36 0.68 -0.01 0.00 4.20 -1.07 -1.98 115.11 116.57 3c2x h GLN 125 Ca 0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3c2x h GLN 125 Cb 0.34 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3c2x h GLN 125 CO -0.05 0.45 -0.36 -0.91 -0.67 0.00 0.00 178.83 177.30 3c2x h ASN 126 N 0.70 0.02 -0.57 1.46 -0.26 -0.59 -2.12 115.58 114.22 3c2x h ASN 126 Ca 0.19 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3c2x h ASN 126 Cb -0.07 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 3c2x h ASN 126 CO -0.05 0.37 0.36 0.25 -1.06 0.00 0.00 177.43 177.31 3c2x h LEU 127 N 0.01 0.66 -0.33 1.61 5.85 -0.20 -1.21 115.31 121.71 3c2x h LEU 127 Ca -0.00 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3c2x h LEU 127 Cb 0.64 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3c2x h LEU 127 CO 0.05 0.50 0.07 -0.07 -0.34 0.00 0.00 178.44 178.65 3c2x h LEU 128 N 0.77 0.52 -1.02 2.25 3.38 -1.00 -0.59 115.31 119.61 3c2x h LEU 128 Ca 0.21 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3c2x h LEU 128 Cb -0.06 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 3c2x h LEU 128 CO -0.04 0.63 0.63 0.00 0.09 0.00 0.00 178.44 179.75 3c2x h ALA 129 N 0.91 1.51 -0.74 1.53 0.00 -1.15 0.26 119.26 121.58 3c2x h ALA 129 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3c2x h ALA 129 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3c2x h ALA 129 CO 0.00 0.25 0.26 0.00 0.00 0.00 0.00 179.25 179.77 3c2x h GLY 131 N 1.12 1.27 0.72 0.00 0.00 0.59 -0.78 103.07 105.99 3c2x h GLY 131 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3c2x h GLY 131 CO -0.01 0.40 -0.05 -2.08 0.00 0.00 0.00 176.54 174.79 3c2x h VAL 132 N 1.14 1.05 -0.55 4.60 2.07 -0.95 0.44 116.25 124.04 3c2x h VAL 132 Ca 0.35 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3c2x h VAL 132 Cb -0.02 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3c2x h VAL 132 CO -0.10 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.01 3c2x h ALA 133 N 0.42 1.86 0.00 1.67 0.00 -1.05 -0.33 119.26 121.84 3c2x h ALA 133 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3c2x h ALA 133 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3c2x h ALA 133 CO 0.02 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3c2x n LEU 134 N -4.47 0.75 0.00 0.00 4.77 -0.33 -4.84 117.00 112.88 3c2x n LEU 134 Ca 0.08 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 3c2x n LEU 134 Cb 0.24 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3c2x n LEU 134 CO 0.34 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3c2x n GLY 135 N 0.86 0.78 0.15 -0.72 0.00 -0.13 -4.76 105.19 101.36 3c2x n GLY 135 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3c2x n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c2x h ALA 136 N 0.00 0.70 -3.91 4.61 0.00 -1.16 -3.40 119.26 116.11 3c2x h ALA 136 Ca 0.00 -0.63 -0.69 0.00 0.00 0.00 0.00 54.91 53.60 3c2x h ALA 136 Cb 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.49 3c2x h ALA 136 CO 0.00 0.82 -0.86 -0.51 0.00 0.00 0.00 179.25 178.70 3c2x s LEU 137 N -7.69 2.36 0.61 0.00 1.43 -0.74 -0.75 118.68 113.91 3c2x s LEU 137 Ca -0.03 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 3c2x s LEU 137 Cb 0.11 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 3c2x s LEU 137 CO 0.81 0.19 1.18 -0.13 0.23 0.00 0.00 176.35 178.62 3c2x s ARG 138 N -2.02 2.92 0.46 1.70 0.52 -0.17 -4.30 118.95 118.06 3c2x s ARG 138 Ca 0.14 1.71 0.21 0.00 -0.52 0.00 0.00 55.73 57.27 3c2x s ARG 138 Cb -0.10 -1.94 1.11 0.00 0.52 0.00 0.00 34.95 34.55 3c2x s ARG 138 CO 0.06 -1.21 1.97 0.66 0.02 0.00 0.00 175.30 176.79 3c2x h SER 139 N 0.68 0.00 -1.17 0.23 4.64 -1.91 -2.19 113.55 113.83 3c2x h SER 139 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.18 3c2x h SER 139 Cb 1.28 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.03 3c2x h SER 139 CO 0.55 0.21 0.24 -0.46 -0.87 0.00 0.00 176.83 176.50 3c2x n ASN 140 N -3.87 6.54 -4.71 4.97 6.94 -1.26 -5.02 115.26 118.85 3c2x n ASN 140 Ca -0.02 -3.78 -0.31 0.00 -0.02 0.00 0.00 54.58 50.45 3c2x n ASN 140 Cb 0.30 -0.75 0.14 0.00 -2.36 0.00 0.00 39.78 37.11 3c2x n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3c2x s TYR 141 N -3.78 1.98 -0.05 -2.53 -0.85 -0.82 -5.02 117.35 106.28 3c2x s TYR 141 Ca 0.57 1.70 0.06 0.00 -0.52 0.00 0.00 57.07 58.88 3c2x s TYR 141 Cb 0.46 -3.24 -0.01 0.00 0.38 0.00 0.00 41.96 39.54 3c2x s TYR 141 CO -0.09 -2.44 -0.23 -1.21 -1.52 0.00 0.00 175.55 170.06 3c2x s GLU 142 N -4.72 2.28 -0.17 -3.49 2.02 0.48 -4.84 118.70 110.26 3c2x s GLU 142 Ca 0.65 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 3c2x s GLU 142 Cb -0.21 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.00 3c2x s GLU 142 CO 0.57 0.37 0.13 0.08 0.02 0.00 0.00 175.26 176.42 3c2x s VAL 143 N -0.18 5.38 0.08 2.63 1.01 0.36 -0.76 120.40 128.92 3c2x s VAL 143 Ca -0.02 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3c2x s VAL 143 Cb -0.13 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3c2x s VAL 143 CO 0.03 0.50 -0.16 -0.54 0.00 0.00 0.00 175.10 174.93 3c2x s LYS 144 N -0.12 0.92 0.42 2.72 1.02 0.10 -1.98 119.74 122.82 3c2x s LYS 144 Ca 0.10 -0.99 -0.17 0.00 0.02 0.00 0.00 55.97 54.94 3c2x s LYS 144 Cb -0.11 -1.00 -0.09 0.00 -0.52 0.00 0.00 37.83 36.11 3c2x s LYS 144 CO 0.00 0.23 0.87 0.20 -0.92 0.00 0.00 175.35 175.74 3c2x s GLY 145 N -1.71 2.22 0.27 -3.33 0.00 -1.26 -0.23 107.32 103.28 3c2x s GLY 145 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.89 3c2x s GLY 145 CO 0.03 0.40 1.79 0.84 0.00 0.00 0.00 173.10 176.15 3c2x h HIS 146 N 1.63 0.94 0.00 1.90 2.76 -0.91 0.88 115.15 122.36 3c2x h HIS 146 Ca -0.48 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3c2x h HIS 146 Cb 1.18 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.86 3c2x h HIS 146 CO 0.62 0.28 0.00 0.07 -1.30 0.00 0.00 177.93 177.61 3c2x h ARG 147 N 0.77 0.00 0.00 5.26 0.11 -1.13 -0.59 114.38 118.81 3c2x h ARG 147 Ca 0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.57 3c2x h ARG 147 Cb 0.63 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 3c2x h ARG 147 CO -0.33 0.00 -0.02 -0.44 0.10 0.00 0.00 179.97 179.28 3c2x h ASP 148 N 0.00 0.00 -0.00 0.08 3.32 -1.12 -3.32 116.42 115.38 3c2x h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3c2x h ASP 148 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3c2x h ASP 148 CO 0.00 0.02 -0.15 1.33 -1.72 0.00 0.00 179.24 178.72 3c2x n VAL 149 N -3.11 0.00 -3.67 -1.35 0.24 -0.66 -5.02 118.33 104.76 3c2x n VAL 149 Ca 0.04 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 3c2x n VAL 149 Cb 0.53 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 3c2x n VAL 149 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3c2x s GLN 150 N -1.23 0.69 -0.45 7.34 -0.21 -0.32 -4.98 119.66 120.50 3c2x s GLN 150 Ca 0.02 0.65 -0.26 0.00 0.02 0.00 0.00 55.36 55.79 3c2x s GLN 150 Cb 0.03 0.33 -0.06 0.00 1.00 0.00 0.00 33.01 34.31 3c2x s GLN 150 CO 0.14 -0.11 2.34 -2.14 -2.12 0.00 0.00 175.29 173.40 3c2x s PRO 151 N 0.03 2.30 -0.13 2.91 0.02 -1.26 -3.97 135.00 134.89 3c2x s PRO 151 Ca -0.02 1.46 -0.33 0.00 0.02 0.00 0.00 61.00 62.12 3c2x s PRO 151 Cb -0.04 -4.54 0.13 0.00 0.02 0.00 0.00 34.50 30.07 3c2x s PRO 151 CO 0.02 -3.06 1.14 -0.08 -0.33 0.00 0.00 177.00 174.70 3c2x s THR 152 N 11.39 0.00 0.23 0.99 -1.32 -1.26 -5.01 115.64 120.65 3c2x s THR 152 Ca 0.96 -0.03 0.09 0.00 -1.21 0.00 0.00 61.69 61.50 3c2x s THR 152 Cb -0.19 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.63 3c2x s THR 152 CO 0.27 0.00 1.52 -0.07 -2.21 0.00 0.00 174.62 174.13 3c2x h LEU 153 N 2.00 0.01 -9.42 9.08 4.07 -1.98 -3.40 115.31 115.67 3c2x h LEU 153 Ca -0.13 -0.01 -0.62 0.00 0.08 0.00 0.00 57.88 57.20 3c2x h LEU 153 Cb 1.19 -0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.03 3c2x h LEU 153 CO 0.25 0.73 0.10 -0.24 -1.08 0.00 0.00 178.44 178.19 3c2x n SER 154 N -3.69 1.11 -1.15 -0.43 2.88 -1.26 -0.74 113.62 110.34 3c2x n SER 154 Ca -0.01 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3c2x n SER 154 Cb 0.70 -1.25 0.14 0.00 -0.75 0.00 0.00 64.21 63.05 3c2x n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3c2x n PRO 155 N 0.87 2.34 0.00 -1.46 -0.04 -1.26 -0.86 135.00 134.59 3c2x n PRO 155 Ca 0.11 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 3c2x n PRO 155 Cb 0.31 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3c2x n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3c2x n GLY 156 N 0.16 2.39 0.15 0.55 0.00 0.08 -4.34 105.19 104.19 3c2x n GLY 156 Ca 0.14 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3c2x n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3c2x h ASP 157 N 0.00 0.38 -0.61 1.61 3.32 -1.71 -1.13 116.42 118.28 3c2x h ASP 157 Ca 0.00 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3c2x h ASP 157 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3c2x h ASP 157 CO 0.00 0.38 0.03 0.03 -1.72 0.00 0.00 179.24 177.96 3c2x h ARG 158 N 0.36 1.07 -0.00 3.56 2.47 -1.34 -3.06 114.38 117.44 3c2x h ARG 158 Ca 0.10 -0.32 -0.18 0.00 -1.26 0.00 0.00 59.98 58.32 3c2x h ARG 158 Cb 0.09 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 3c2x h ARG 158 CO -0.01 1.03 -0.82 1.25 0.56 0.00 0.00 179.97 181.97 3c2x h LEU 159 N 0.99 0.18 -1.18 3.04 5.85 -1.56 -3.22 115.31 119.41 3c2x h LEU 159 Ca 0.18 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3c2x h LEU 159 Cb 0.52 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3c2x h LEU 159 CO 0.03 0.92 0.08 0.22 -0.34 0.00 0.00 178.44 179.35 3c2x h TYR 160 N 0.08 0.67 -0.21 1.25 3.20 -1.12 -1.89 116.97 118.95 3c2x h TYR 160 Ca -0.03 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 3c2x h TYR 160 Cb 1.43 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3c2x h TYR 160 CO 0.02 0.59 -0.40 1.05 -1.64 0.00 0.00 178.16 177.79 3c2x h GLU 161 N 0.63 0.65 -0.27 1.82 4.11 -1.57 -1.56 114.58 118.39 3c2x h GLU 161 Ca 0.14 -0.41 0.06 0.00 0.07 0.00 0.00 59.36 59.22 3c2x h GLU 161 Cb 0.28 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3c2x h GLU 161 CO 0.00 1.03 -0.08 0.82 0.07 0.00 0.00 179.01 180.85 3c2x h ILE 162 N 0.34 0.71 0.00 -1.06 2.04 -1.49 -0.73 117.51 117.32 3c2x h ILE 162 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3c2x h ILE 162 Cb 0.99 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3c2x h ILE 162 CO 0.09 0.00 -0.12 0.16 0.00 0.00 0.00 178.15 178.28 3c2x h ILE 163 N -0.02 0.40 0.00 -0.67 3.07 -1.30 -0.95 117.51 118.04 3c2x h ILE 163 Ca 0.13 -0.70 -0.00 0.00 1.55 0.00 0.00 64.86 65.84 3c2x h ILE 163 Cb 0.22 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.27 3c2x h ILE 163 CO -0.29 0.12 -0.01 1.56 -1.05 0.00 0.00 178.15 178.48 3c2x h GLN 164 N 0.00 0.00 -0.00 0.16 4.20 -0.07 -0.48 115.11 118.92 3c2x h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3c2x h GLN 164 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3c2x h GLN 164 CO 0.02 0.01 -0.42 0.25 -0.67 0.00 0.00 178.83 178.01 3c2x n THR 165 N -3.33 0.00 -2.08 -0.54 -2.24 -0.36 -4.88 114.28 100.84 3c2x n THR 165 Ca -0.03 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3c2x n THR 165 Cb 0.10 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3c2x n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3c2x s TRP 166 N -2.72 2.76 0.29 4.78 0.52 -0.19 -4.93 118.94 119.44 3c2x s TRP 166 Ca 0.18 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.77 3c2x s TRP 166 Cb 0.18 -3.59 0.59 0.00 -1.15 0.00 0.00 33.47 29.51 3c2x s TRP 166 CO 0.62 -2.00 1.82 1.03 0.02 0.00 0.00 176.95 178.43 3c2x h SER 167 N 2.27 0.87 -0.46 2.95 0.87 -1.92 -2.31 113.55 115.82 3c2x h SER 167 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3c2x h SER 167 Cb 1.26 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3c2x h SER 167 CO 0.61 0.42 0.00 1.41 -0.53 0.00 0.00 176.83 178.74 3c2x n HIS 168 N -4.67 0.64 -2.36 2.24 8.25 -1.26 -4.96 115.22 113.09 3c2x n HIS 168 Ca 0.20 -0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 3c2x n HIS 168 Cb 0.41 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 3c2x n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3c2x s TYR 169 N -1.40 3.41 -0.21 4.41 5.04 -0.87 -0.49 117.35 127.24 3c2x s TYR 169 Ca 0.31 1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 56.29 3c2x s TYR 169 Cb 0.16 -3.45 0.08 0.00 0.35 0.00 0.00 41.96 39.11 3c2x s TYR 169 CO 0.21 -1.27 0.15 1.03 -1.34 0.00 0.00 175.55 174.32 3c2x s ARG 170 N -0.12 0.14 0.00 4.97 1.81 -0.84 -4.86 118.95 120.05 3c2x s ARG 170 Ca 0.54 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.48 3c2x s ARG 170 Cb -0.33 -1.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 3c2x s ARG 170 CO 0.36 -0.74 0.44 0.00 -0.68 0.00 0.00 175.30 174.68