#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4x s ARG 11 N 0.00 4.14 0.07 -0.14 3.52 -1.26 -4.97 118.95 120.31 1w4x s ARG 11 Ca 0.00 1.85 -0.30 0.00 -0.13 0.00 0.00 55.73 57.15 1w4x s ARG 11 Cb 0.00 -3.89 -0.06 0.00 -1.56 0.00 0.00 34.95 29.44 1w4x s ARG 11 CO 0.00 -0.86 1.17 -0.65 -0.81 0.00 0.00 175.30 174.15 1w4x s GLN 12 N 3.90 4.46 0.39 5.12 -1.52 -1.26 -4.59 119.66 126.15 1w4x s GLN 12 Ca 0.64 1.74 -0.25 0.00 -1.95 0.00 0.00 55.36 55.54 1w4x s GLN 12 Cb -0.26 -3.35 -0.09 0.00 -0.22 0.00 0.00 33.01 29.09 1w4x s GLN 12 CO 0.23 -0.20 1.11 -1.25 -0.25 0.00 0.00 175.29 174.92 1w4x s PRO 13 N 0.88 4.17 0.90 2.91 0.04 -1.26 -5.00 135.00 137.65 1w4x s PRO 13 Ca 0.57 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 1w4x s PRO 13 Cb -0.29 -2.68 0.14 0.00 0.04 0.00 0.00 34.50 31.72 1w4x s PRO 13 CO 0.30 -0.18 1.16 -1.25 0.04 0.00 0.00 177.00 177.07 1w4x s PRO 14 N -2.28 1.07 0.13 0.56 0.04 -1.26 -4.95 135.00 128.30 1w4x s PRO 14 Ca 0.56 1.59 0.15 0.00 0.04 0.00 0.00 61.00 63.33 1w4x s PRO 14 Cb -0.27 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1w4x s PRO 14 CO 0.34 -2.60 1.06 0.93 0.04 0.00 0.00 177.00 176.77 1w4x h GLU 15 N -1.77 0.00 -3.66 4.56 5.08 -1.93 -3.42 114.58 113.44 1w4x h GLU 15 Ca -0.43 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.68 1w4x h GLU 15 Cb 1.27 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.23 1w4x h GLU 15 CO 0.42 0.44 -0.71 -1.21 -1.00 0.00 0.00 179.01 176.94 1w4x s GLU 16 N -2.90 0.00 -0.02 2.33 2.02 -1.26 -1.03 118.70 117.84 1w4x s GLU 16 Ca -0.00 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.84 1w4x s GLU 16 Cb 0.08 -0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.30 1w4x s GLU 16 CO 0.79 -0.04 0.44 0.54 0.02 0.00 0.00 175.26 177.01 1w4x s VAL 17 N 0.24 0.04 0.10 2.63 0.11 -0.19 -4.97 120.40 118.36 1w4x s VAL 17 Ca -0.02 -0.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 1w4x s VAL 17 Cb -0.03 -0.76 -0.08 0.00 -1.53 0.00 0.00 36.38 33.98 1w4x s VAL 17 CO -0.01 -0.17 1.65 0.44 -3.33 0.00 0.00 175.10 173.68 1w4x h ASP 18 N 3.53 0.29 -3.46 3.54 3.32 -1.79 -2.76 116.42 119.10 1w4x h ASP 18 Ca -0.29 -0.15 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 1w4x h ASP 18 Cb 1.17 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 40.30 1w4x h ASP 18 CO 0.40 0.36 -0.76 -0.69 -1.72 0.00 0.00 179.24 176.82 1w4x s VAL 19 N -5.61 0.41 -0.18 -1.35 1.01 -0.71 -1.15 120.40 112.83 1w4x s VAL 19 Ca -0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1w4x s VAL 19 Cb 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1w4x s VAL 19 CO 0.71 0.20 0.04 -0.22 0.00 0.00 0.00 175.10 175.83 1w4x s LEU 20 N 1.03 3.71 -0.12 3.92 2.96 -0.39 -2.34 118.68 127.46 1w4x s LEU 20 Ca -0.09 0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1w4x s LEU 20 Cb -0.14 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1w4x s LEU 20 CO -0.01 0.18 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.49 1w4x s VAL 21 N 0.36 4.12 -0.31 1.68 1.01 0.41 -0.84 120.40 126.83 1w4x s VAL 21 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1w4x s VAL 21 Cb -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1w4x s VAL 21 CO 0.01 0.55 0.12 -0.69 0.00 0.00 0.00 175.10 175.09 1w4x s VAL 22 N -0.26 4.32 0.00 2.92 1.01 -0.07 -1.09 120.40 127.23 1w4x s VAL 22 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1w4x s VAL 22 Cb -0.12 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1w4x s VAL 22 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1w4x n GLY 23 N 4.93 2.81 2.08 4.51 0.00 0.41 -0.88 105.19 119.06 1w4x n GLY 23 Ca -0.14 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 1w4x n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4x n ALA 24 N 1.31 5.11 -1.55 4.61 0.00 -1.26 -3.79 120.51 124.95 1w4x n ALA 24 Ca 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1w4x n ALA 24 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1w4x n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4x n GLY 25 N -0.70 0.55 0.31 0.00 0.00 -1.26 -1.44 105.19 102.64 1w4x n GLY 25 Ca 0.45 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.71 1w4x n GLY 25 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1w4x h PHE 26 N -0.05 0.73 0.81 1.61 0.04 -1.95 -1.90 116.94 116.22 1w4x h PHE 26 Ca 0.00 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 1w4x h PHE 26 Cb 0.00 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 37.96 1w4x h PHE 26 CO 0.00 0.14 -0.39 0.77 -0.60 0.00 0.00 178.31 178.23 1w4x h SER 27 N 0.58 -0.92 -0.98 2.17 0.02 -1.92 -3.02 113.55 109.47 1w4x h SER 27 Ca 0.47 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1w4x h SER 27 Cb 0.71 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 1w4x h SER 27 CO -0.39 -0.56 0.64 1.23 -1.14 0.00 0.00 176.83 176.61 1w4x h GLY 28 N -1.26 1.39 0.96 -3.77 0.00 -1.62 -1.96 103.07 96.80 1w4x h GLY 28 Ca -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1w4x h GLY 28 CO 0.18 0.52 0.19 1.41 0.00 0.00 0.00 176.54 178.85 1w4x h LEU 29 N 1.34 0.59 -0.79 3.11 3.38 -1.43 -1.02 115.31 120.49 1w4x h LEU 29 Ca 0.36 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1w4x h LEU 29 Cb -0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1w4x h LEU 29 CO -0.08 0.58 -0.35 0.22 0.09 0.00 0.00 178.44 178.90 1w4x h TYR 30 N 0.57 0.59 -0.08 1.13 3.20 -1.38 -0.95 116.97 120.05 1w4x h TYR 30 Ca 0.15 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1w4x h TYR 30 Cb 0.16 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1w4x h TYR 30 CO -0.00 0.79 0.04 0.00 -1.64 0.00 0.00 178.16 177.35 1w4x h ALA 31 N 1.19 0.10 -0.04 1.82 0.00 -1.18 0.21 119.26 121.37 1w4x h ALA 31 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1w4x h ALA 31 Cb 0.81 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1w4x h ALA 31 CO 0.07 -0.37 -0.29 1.25 0.00 0.00 0.00 179.25 179.91 1w4x h LEU 32 N 0.04 -0.88 -0.11 0.00 5.85 -1.08 0.22 115.31 119.34 1w4x h LEU 32 Ca 0.03 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1w4x h LEU 32 Cb 0.07 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1w4x h LEU 32 CO -0.00 -0.35 0.03 0.22 -0.34 0.00 0.00 178.44 177.99 1w4x h TYR 33 N -0.42 0.05 -0.40 1.25 3.20 -0.95 -1.68 116.97 118.03 1w4x h TYR 33 Ca 0.07 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 1w4x h TYR 33 Cb 0.52 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1w4x h TYR 33 CO -0.34 0.02 -0.21 -0.09 -1.64 0.00 0.00 178.16 175.91 1w4x h ARG 34 N 0.08 0.77 -0.28 1.82 2.43 -0.43 -1.54 114.38 117.23 1w4x h ARG 34 Ca 0.05 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.83 1w4x h ARG 34 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1w4x h ARG 34 CO -0.06 0.92 -0.20 -0.07 -1.51 0.00 0.00 179.97 179.05 1w4x h LEU 35 N 0.68 0.50 0.07 3.80 3.38 -0.85 -1.12 115.31 121.77 1w4x h LEU 35 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1w4x h LEU 35 Cb 0.71 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1w4x h LEU 35 CO 0.05 0.71 -0.04 0.03 0.09 0.00 0.00 178.44 179.29 1w4x h ARG 36 N 0.46 -0.09 -0.27 1.13 3.08 -0.92 -1.51 114.38 116.25 1w4x h ARG 36 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1w4x h ARG 36 Cb 0.60 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1w4x h ARG 36 CO 0.04 -0.03 0.19 0.93 -1.07 0.00 0.00 179.97 180.03 1w4x h GLU 37 N -0.14 0.11 -0.01 0.04 5.08 -0.93 -1.20 114.58 117.54 1w4x h GLU 37 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1w4x h GLU 37 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1w4x h GLU 37 CO 0.02 0.07 -0.04 1.28 -1.00 0.00 0.00 179.01 179.34 1w4x n LEU 38 N -4.48 0.83 0.00 1.33 4.77 -0.46 -4.91 117.00 114.08 1w4x n LEU 38 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1w4x n LEU 38 Cb 0.27 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1w4x n LEU 38 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1w4x n GLY 39 N 1.16 0.60 3.80 -0.72 0.00 -0.45 -5.04 105.19 104.53 1w4x n GLY 39 Ca 0.19 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1w4x n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w4x s ARG 40 N -3.44 2.87 0.02 1.61 1.81 -0.60 -5.05 118.95 116.17 1w4x s ARG 40 Ca 0.00 -1.02 -0.25 0.00 -1.72 0.00 0.00 55.73 52.74 1w4x s ARG 40 Cb 0.00 -2.56 -0.05 0.00 -0.45 0.00 0.00 34.95 31.89 1w4x s ARG 40 CO 0.00 0.42 0.77 -1.54 -0.68 0.00 0.00 175.30 174.27 1w4x s SER 41 N -3.60 7.17 -0.19 0.23 1.04 -1.26 -4.37 113.70 112.72 1w4x s SER 41 Ca 0.32 1.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 1w4x s SER 41 Cb -0.08 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.63 1w4x s SER 41 CO 0.24 -0.03 0.48 0.54 0.98 0.00 0.00 173.24 175.44 1w4x s VAL 42 N 0.20 -0.02 0.09 5.02 0.11 -1.26 -1.75 120.40 122.80 1w4x s VAL 42 Ca 0.39 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.56 1w4x s VAL 42 Cb -0.20 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1w4x s VAL 42 CO 0.22 0.02 -0.15 -2.28 -3.33 0.00 0.00 175.10 169.59 1w4x s HIS 43 N 1.24 1.33 -0.06 1.54 2.46 -0.99 -4.92 115.29 115.89 1w4x s HIS 43 Ca -0.08 -0.49 0.02 0.00 0.47 0.00 0.00 55.06 54.98 1w4x s HIS 43 Cb -0.07 -0.73 -0.03 0.00 -0.13 0.00 0.00 32.58 31.63 1w4x s HIS 43 CO -0.12 0.10 -0.11 0.08 -2.47 0.00 0.00 174.74 172.22 1w4x s VAL 44 N -1.56 3.38 -0.14 0.89 1.01 0.10 -0.45 120.40 123.63 1w4x s VAL 44 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1w4x s VAL 44 Cb -0.08 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1w4x s VAL 44 CO 0.03 0.59 -0.09 -0.63 0.00 0.00 0.00 175.10 175.00 1w4x s ILE 45 N -0.73 3.39 -0.03 2.22 -1.09 -0.25 -0.66 121.20 124.05 1w4x s ILE 45 Ca 0.11 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1w4x s ILE 45 Cb -0.11 -2.45 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1w4x s ILE 45 CO 0.01 0.51 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.52 1w4x s GLU 46 N 0.31 0.41 0.18 2.79 2.56 -0.32 -0.45 118.70 124.18 1w4x s GLU 46 Ca -0.08 0.01 -0.14 0.00 0.00 0.00 0.00 54.97 54.77 1w4x s GLU 46 Cb -0.15 -0.53 0.07 0.00 2.00 0.00 0.00 34.13 35.53 1w4x s GLU 46 CO 0.05 -0.09 1.84 1.15 -0.56 0.00 0.00 175.26 177.64 1w4x h THR 47 N 6.08 1.13 -4.05 -1.70 2.02 -1.67 -1.48 112.91 113.24 1w4x h THR 47 Ca -0.40 -0.25 -0.48 0.00 0.77 0.00 0.00 66.41 66.05 1w4x h THR 47 Cb 1.14 0.34 0.15 0.00 -1.74 0.00 0.00 68.15 68.05 1w4x h THR 47 CO 0.48 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.74 1w4x s ALA 48 N -6.15 1.45 -0.81 6.16 0.00 -1.26 -2.97 121.76 118.18 1w4x s ALA 48 Ca -0.13 -0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.06 1w4x s ALA 48 Cb 0.13 -3.21 0.95 0.00 0.00 0.00 0.00 23.12 20.99 1w4x s ALA 48 CO 0.75 -2.44 1.80 0.41 0.00 0.00 0.00 175.76 176.28 1w4x n GLY 49 N -0.96 -1.56 3.33 0.00 0.00 -1.26 -1.73 105.19 103.01 1w4x n GLY 49 Ca 0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1w4x n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1w4x n ASP 50 N -1.97 -1.77 -4.78 1.61 -0.08 -1.26 -4.82 116.55 103.48 1w4x n ASP 50 Ca 0.06 -2.59 -0.30 0.00 -1.51 0.00 0.00 54.79 50.45 1w4x n ASP 50 Cb 0.37 3.06 0.11 0.00 2.34 0.00 0.00 41.12 46.99 1w4x n ASP 50 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1w4x s VAL 51 N -2.43 2.90 0.00 5.18 -7.23 -1.26 -4.71 120.40 112.84 1w4x s VAL 51 Ca 0.20 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1w4x s VAL 51 Cb -0.03 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1w4x s VAL 51 CO 0.14 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1w4x n GLY 52 N -1.79 1.24 7.00 2.32 0.00 -0.52 -4.63 105.19 108.81 1w4x n GLY 52 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1w4x n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4x n GLY 53 N 0.00 2.92 0.25 -0.02 0.00 -1.25 -2.14 105.19 104.95 1w4x n GLY 53 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1w4x n GLY 53 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1w4x h VAL 54 N 0.00 0.91 0.00 1.61 -1.51 -1.96 -1.13 116.25 114.17 1w4x h VAL 54 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1w4x h VAL 54 Cb 0.00 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1w4x h VAL 54 CO 0.00 0.08 0.00 0.79 -1.23 0.00 0.00 177.57 177.21 1w4x n TRP 55 N -4.22 0.64 -0.04 5.19 7.02 -0.91 -1.20 117.44 123.93 1w4x n TRP 55 Ca -0.03 0.21 -0.22 0.00 -1.02 0.00 0.00 57.50 56.45 1w4x n TRP 55 Cb 0.17 -0.85 -0.13 0.00 -2.42 0.00 0.00 31.31 28.08 1w4x n TRP 55 CO 0.00 0.00 0.00 -0.92 -2.02 0.00 0.00 177.69 174.75 1w4x h TYR 56 N 0.00 0.30 0.00 -5.99 3.20 -1.30 -3.42 116.97 109.75 1w4x h TYR 56 Ca 0.00 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 1w4x h TYR 56 Cb 0.52 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1w4x h TYR 56 CO 0.00 1.64 -0.94 0.11 -1.64 0.00 0.00 178.16 177.33 1w4x h TRP 57 N -0.40 0.00 -3.32 -3.82 5.08 -1.27 -3.42 115.95 108.81 1w4x h TRP 57 Ca -0.38 0.00 -0.75 0.00 1.08 0.00 0.00 58.89 58.85 1w4x h TRP 57 Cb 1.71 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 27.60 1w4x h TRP 57 CO 0.09 0.18 -0.25 -0.80 -1.28 0.00 0.00 178.44 176.38 1w4x s ASN 58 N -5.65 6.02 -0.09 0.11 -0.87 -0.34 -4.27 114.94 109.85 1w4x s ASN 58 Ca 0.00 -2.06 0.14 0.00 -1.57 0.00 0.00 52.86 49.37 1w4x s ASN 58 Cb 0.09 -2.11 0.21 0.00 -0.02 0.00 0.00 41.25 39.42 1w4x s ASN 58 CO 0.78 -0.72 1.10 -2.11 -2.57 0.00 0.00 177.10 173.58 1w4x n ARG 59 N 4.79 1.13 -1.91 -0.60 1.85 -1.26 -4.77 116.66 115.89 1w4x n ARG 59 Ca -0.06 -2.16 -0.36 0.00 -1.00 0.00 0.00 57.85 54.27 1w4x n ARG 59 Cb 0.41 -1.25 0.05 0.00 -1.05 0.00 0.00 32.46 30.62 1w4x n ARG 59 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1w4x s TYR 60 N -2.13 2.27 0.31 2.89 -0.85 -1.26 -4.91 117.35 113.67 1w4x s TYR 60 Ca 0.23 1.50 -0.30 0.00 -0.52 0.00 0.00 57.07 57.98 1w4x s TYR 60 Cb 0.20 -3.57 -0.11 0.00 0.38 0.00 0.00 41.96 38.85 1w4x s TYR 60 CO 0.02 -2.50 1.57 -1.25 -1.52 0.00 0.00 175.55 171.87 1w4x s PRO 61 N -3.33 4.12 0.00 -3.49 0.04 -1.26 -1.89 135.00 129.19 1w4x s PRO 61 Ca 0.79 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.41 1w4x s PRO 61 Cb -0.33 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1w4x s PRO 61 CO 0.36 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1w4x n GLY 62 N 1.79 1.20 3.70 0.56 0.00 -1.26 -3.93 105.19 107.26 1w4x n GLY 62 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1w4x n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4x n ALA 63 N -1.16 2.44 -3.60 4.61 0.00 -0.79 -4.79 120.51 117.22 1w4x n ALA 63 Ca 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1w4x n ALA 63 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.88 1w4x n ALA 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1w4x s ARG 64 N 1.47 0.84 0.51 0.00 3.52 -1.26 -1.08 118.95 122.96 1w4x s ARG 64 Ca 0.77 0.69 -0.21 0.00 -0.13 0.00 0.00 55.73 56.85 1w4x s ARG 64 Cb -0.53 0.41 -0.06 0.00 -1.56 0.00 0.00 34.95 33.20 1w4x s ARG 64 CO 0.34 -0.16 1.17 0.00 -0.81 0.00 0.00 175.30 175.83 1w4x n ASP 66 N -0.95 3.50 -4.34 0.00 8.00 -1.26 -4.58 116.55 116.92 1w4x n ASP 66 Ca 0.10 -1.97 -0.18 0.00 0.71 0.00 0.00 54.79 53.45 1w4x n ASP 66 Cb 0.49 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1w4x n ASP 66 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1w4x s ILE 67 N -1.15 1.70 0.49 0.53 -4.36 -1.26 -4.54 121.20 112.60 1w4x s ILE 67 Ca 0.39 -2.20 -0.23 0.00 -0.26 0.00 0.00 60.65 58.35 1w4x s ILE 67 Cb 0.21 -2.03 -0.07 0.00 1.25 0.00 0.00 42.46 41.83 1w4x s ILE 67 CO 0.28 -0.60 1.29 -1.61 0.24 0.00 0.00 174.94 174.55 1w4x s GLU 68 N -3.63 3.52 0.30 0.37 2.02 -1.26 -4.60 118.70 115.42 1w4x s GLU 68 Ca 0.22 2.09 0.06 0.00 0.02 0.00 0.00 54.97 57.36 1w4x s GLU 68 Cb -0.01 -2.42 0.73 0.00 0.10 0.00 0.00 34.13 32.53 1w4x s GLU 68 CO 0.06 -0.84 1.78 0.77 0.02 0.00 0.00 175.26 177.06 1w4x h SER 69 N 1.93 0.80 0.98 -0.19 0.02 -1.33 -1.08 113.55 114.68 1w4x h SER 69 Ca -0.50 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1w4x h SER 69 Cb 1.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1w4x h SER 69 CO 0.59 0.29 -0.02 0.16 -1.14 0.00 0.00 176.83 176.72 1w4x h ILE 70 N 0.78 0.05 0.10 3.27 3.07 -1.89 -3.08 117.51 119.82 1w4x h ILE 70 Ca 0.57 -0.55 -0.37 0.00 1.55 0.00 0.00 64.86 66.07 1w4x h ILE 70 Cb 0.87 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 1w4x h ILE 70 CO -0.37 0.02 -2.07 -0.62 -1.05 0.00 0.00 178.15 174.06 1w4x n GLU 71 N -3.12 0.74 -2.86 0.16 -0.58 -0.70 -4.72 120.64 109.56 1w4x n GLU 71 Ca 0.00 0.25 -0.44 0.00 -0.42 0.00 0.00 57.16 56.56 1w4x n GLU 71 Cb 0.31 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1w4x n GLU 71 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1w4x n TYR 72 N -3.47 4.41 -3.56 -0.32 9.36 -0.49 -4.80 117.16 118.29 1w4x n TYR 72 Ca -0.34 -3.26 -0.10 0.00 3.32 0.00 0.00 57.90 57.52 1w4x n TYR 72 Cb 1.03 -2.03 -0.02 0.00 -0.63 0.00 0.00 39.34 37.69 1w4x n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1w4x s TYR 74 N -3.76 2.94 0.00 0.00 2.02 -1.26 -4.79 117.35 112.50 1w4x s TYR 74 Ca 0.04 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1w4x s TYR 74 Cb -0.02 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1w4x s TYR 74 CO -0.07 -1.00 0.44 -1.13 -1.57 0.00 0.00 175.55 172.22 1w4x n SER 75 N -1.18 0.88 0.22 2.29 3.41 -1.26 -4.76 113.62 113.22 1w4x n SER 75 Ca 0.10 -0.98 0.15 0.00 -0.26 0.00 0.00 58.87 57.88 1w4x n SER 75 Cb 0.52 0.04 0.52 0.00 -0.26 0.00 0.00 64.21 65.03 1w4x n SER 75 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1w4x h PHE 76 N 0.00 0.00 -3.13 7.33 -5.15 -2.01 -3.41 116.94 110.57 1w4x h PHE 76 Ca 0.00 0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 57.14 1w4x h PHE 76 Cb 0.04 0.00 -0.36 0.00 0.22 0.00 0.00 35.95 35.85 1w4x h PHE 76 CO 0.00 0.00 -0.84 0.45 -2.00 0.00 0.00 178.31 175.92 1w4x s SER 77 N -5.36 2.96 0.28 -0.68 0.15 -1.26 -5.01 113.70 104.78 1w4x s SER 77 Ca 0.04 -0.60 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 1w4x s SER 77 Cb 0.09 -1.32 0.41 0.00 -1.71 0.00 0.00 66.02 63.48 1w4x s SER 77 CO 0.54 -0.04 1.80 -0.08 1.20 0.00 0.00 173.24 176.66 1w4x h GLU 78 N 7.99 0.72 -0.25 5.44 4.57 -1.98 -2.17 114.58 128.91 1w4x h GLU 78 Ca -0.41 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 1w4x h GLU 78 Cb 1.13 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1w4x h GLU 78 CO 0.57 0.73 -0.01 0.93 -1.18 0.00 0.00 179.01 180.05 1w4x h GLU 79 N 0.68 0.45 -0.46 1.92 5.08 -1.98 -1.52 114.58 118.75 1w4x h GLU 79 Ca 0.14 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1w4x h GLU 79 Cb 0.40 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1w4x h GLU 79 CO 0.01 0.63 0.09 0.28 -1.00 0.00 0.00 179.01 179.03 1w4x h VAL 80 N 0.22 0.75 -1.01 3.13 2.07 -1.93 0.29 116.25 119.77 1w4x h VAL 80 Ca 0.07 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1w4x h VAL 80 Cb 0.44 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1w4x h VAL 80 CO 0.02 0.04 0.66 -0.07 0.02 0.00 0.00 177.57 178.23 1w4x h LEU 81 N 0.23 1.08 -0.17 2.57 3.38 -1.22 -2.29 115.31 118.87 1w4x h LEU 81 Ca 0.23 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 1w4x h LEU 81 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1w4x h LEU 81 CO -0.30 0.72 -0.94 1.56 0.09 0.00 0.00 178.44 179.56 1w4x h GLN 82 N 1.23 0.10 0.00 1.13 1.08 -0.34 -3.37 115.11 114.93 1w4x h GLN 82 Ca 0.41 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 1w4x h GLN 82 Cb 0.07 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1w4x h GLN 82 CO -0.14 0.96 -1.36 0.39 -0.95 0.00 0.00 178.83 177.73 1w4x n GLU 83 N -3.53 0.62 -3.29 1.46 1.02 0.95 -4.88 120.64 113.00 1w4x n GLU 83 Ca -0.02 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.84 1w4x n GLU 83 Cb 0.87 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1w4x n GLU 83 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1w4x s TRP 84 N -3.18 3.58 -0.39 -0.32 -0.11 -0.89 -5.05 118.94 112.57 1w4x s TRP 84 Ca -0.03 1.00 -0.08 0.00 1.22 0.00 0.00 56.10 58.21 1w4x s TRP 84 Cb 0.10 -2.56 0.07 0.00 -1.50 0.00 0.00 33.47 29.57 1w4x s TRP 84 CO 0.82 0.25 0.21 -0.80 -4.62 0.00 0.00 176.95 172.81 1w4x s ASN 85 N 0.28 5.54 0.28 5.86 0.01 -1.26 -4.96 114.94 120.69 1w4x s ASN 85 Ca 0.28 -1.40 -0.29 0.00 -0.71 0.00 0.00 52.86 50.73 1w4x s ASN 85 Cb -0.16 -1.95 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 1w4x s ASN 85 CO 0.13 -0.47 1.15 0.26 -1.51 0.00 0.00 177.10 176.66 1w4x s TRP 86 N 1.41 3.46 -0.21 2.20 0.52 -1.26 -4.97 118.94 120.10 1w4x s TRP 86 Ca 0.02 1.61 0.18 0.00 0.02 0.00 0.00 56.10 57.93 1w4x s TRP 86 Cb -0.22 -3.38 -0.25 0.00 -1.15 0.00 0.00 33.47 28.47 1w4x s TRP 86 CO 0.02 -0.88 0.47 0.25 0.02 0.00 0.00 176.95 176.83 1w4x n THR 87 N 1.30 0.00 -4.19 2.01 -2.24 -1.26 -4.76 114.28 105.14 1w4x n THR 87 Ca -0.00 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 1w4x n THR 87 Cb 0.44 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1w4x n THR 87 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1w4x s GLU 88 N -3.08 0.90 0.21 -0.78 2.02 -1.26 -0.94 118.70 115.77 1w4x s GLU 88 Ca -0.03 -1.38 -0.08 0.00 0.02 0.00 0.00 54.97 53.49 1w4x s GLU 88 Cb 0.12 -0.22 0.28 0.00 0.10 0.00 0.00 34.13 34.40 1w4x s GLU 88 CO 0.73 -0.04 1.78 -0.09 0.02 0.00 0.00 175.26 177.66 1w4x h ARG 89 N 2.90 0.58 -4.51 1.61 2.43 -1.02 -3.40 114.38 112.97 1w4x h ARG 89 Ca -0.36 -0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.18 1w4x h ARG 89 Cb 1.17 -0.13 -0.37 0.00 -0.42 0.00 0.00 29.97 30.23 1w4x h ARG 89 CO 0.64 0.38 -0.81 0.71 -1.51 0.00 0.00 179.97 179.38 1w4x s TYR 90 N -6.08 2.16 0.24 2.20 2.02 -1.26 -1.08 117.35 115.55 1w4x s TYR 90 Ca -0.13 -1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 54.94 1w4x s TYR 90 Cb 0.17 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 40.09 1w4x s TYR 90 CO 0.76 -0.68 1.06 0.00 -1.57 0.00 0.00 175.55 175.11 1w4x s ALA 91 N 1.48 3.38 0.71 3.71 0.00 -1.26 -4.81 121.76 124.97 1w4x s ALA 91 Ca 0.01 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 1w4x s ALA 91 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1w4x s ALA 91 CO -0.09 -0.08 1.08 -1.54 0.00 0.00 0.00 175.76 175.14 1w4x s SER 92 N -0.76 5.02 0.19 0.00 1.04 -1.26 -1.28 113.70 116.65 1w4x s SER 92 Ca 0.45 1.81 -0.12 0.00 0.48 0.00 0.00 55.95 58.56 1w4x s SER 92 Cb -0.30 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.47 1w4x s SER 92 CO 0.37 -1.68 1.77 -0.61 0.98 0.00 0.00 173.24 174.07 1w4x h GLN 93 N -0.57 0.43 -0.92 4.02 -0.00 -1.47 -0.58 115.11 116.02 1w4x h GLN 93 Ca -0.45 -0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.27 1w4x h GLN 93 Cb 1.23 -0.10 -0.07 0.00 0.00 0.00 0.00 27.48 28.54 1w4x h GLN 93 CO 0.54 0.29 0.57 -1.35 0.00 0.00 0.00 178.83 178.87 1w4x h PRO 94 N 0.45 0.94 -0.26 -2.39 0.11 -1.89 0.24 132.00 129.19 1w4x h PRO 94 Ca 0.24 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 1w4x h PRO 94 Cb 0.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1w4x h PRO 94 CO -0.21 0.62 -0.13 1.49 -0.21 0.00 0.00 178.00 179.56 1w4x h GLU 95 N 0.97 0.55 -0.52 1.05 4.81 -1.78 -0.30 114.58 119.35 1w4x h GLU 95 Ca 0.43 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1w4x h GLU 95 Cb 0.32 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1w4x h GLU 95 CO -0.22 0.80 0.31 0.82 -0.73 0.00 0.00 179.01 179.99 1w4x h ILE 96 N 0.28 1.06 -0.60 2.32 2.04 -0.60 -0.90 117.51 121.10 1w4x h ILE 96 Ca 0.06 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1w4x h ILE 96 Cb 0.64 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1w4x h ILE 96 CO 0.04 0.11 0.35 0.25 0.00 0.00 0.00 178.15 178.90 1w4x h LEU 97 N 0.62 0.74 -0.81 1.44 5.85 -0.46 -0.80 115.31 121.89 1w4x h LEU 97 Ca 0.21 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1w4x h LEU 97 Cb 0.02 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1w4x h LEU 97 CO -0.09 0.60 0.47 0.03 -0.34 0.00 0.00 178.44 179.10 1w4x h ARG 98 N 0.82 0.77 -0.17 1.25 3.08 -0.80 0.15 114.38 119.48 1w4x h ARG 98 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1w4x h ARG 98 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1w4x h ARG 98 CO -0.04 0.51 0.09 -0.92 -1.07 0.00 0.00 179.97 178.54 1w4x h TYR 99 N 0.80 0.25 -0.68 3.04 3.20 -0.50 0.34 116.97 123.41 1w4x h TYR 99 Ca 0.38 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.23 1w4x h TYR 99 Cb 0.32 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1w4x h TYR 99 CO -0.06 0.26 0.36 0.82 -1.64 0.00 0.00 178.16 177.90 1w4x h ILE 100 N 0.16 1.22 -0.43 1.81 2.04 -0.91 -1.43 117.51 119.97 1w4x h ILE 100 Ca 0.06 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1w4x h ILE 100 Cb 0.10 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1w4x h ILE 100 CO -0.01 0.24 0.11 0.78 0.00 0.00 0.00 178.15 179.27 1w4x h ASN 101 N 0.94 0.58 -0.19 1.72 2.35 -0.60 -1.15 115.58 119.22 1w4x h ASN 101 Ca 0.24 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1w4x h ASN 101 Cb 0.06 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1w4x h ASN 101 CO -0.04 0.58 0.07 0.15 -1.65 0.00 0.00 177.43 176.55 1w4x h PHE 102 N 0.62 0.13 -0.23 1.19 3.57 -0.42 0.14 116.94 121.94 1w4x h PHE 102 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1w4x h PHE 102 Cb 0.23 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1w4x h PHE 102 CO 0.01 0.07 0.15 0.28 -2.23 0.00 0.00 178.31 176.59 1w4x h VAL 103 N 0.17 1.06 -0.69 1.41 2.07 -0.80 0.23 116.25 119.70 1w4x h VAL 103 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1w4x h VAL 103 Cb 0.04 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1w4x h VAL 103 CO -0.08 0.06 0.28 0.00 0.02 0.00 0.00 177.57 177.85 1w4x h ALA 104 N 1.08 0.89 0.16 1.67 0.00 -1.09 -2.41 119.26 119.58 1w4x h ALA 104 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1w4x h ALA 104 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1w4x h ALA 104 CO -0.02 0.51 -0.10 -0.44 0.00 0.00 0.00 179.25 179.20 1w4x h ASP 105 N 0.98 -0.26 -0.88 0.00 3.32 -0.44 -1.54 116.42 117.60 1w4x h ASP 105 Ca 0.23 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.38 1w4x h ASP 105 Cb 0.21 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1w4x h ASP 105 CO -0.02 -0.17 0.57 0.50 -1.72 0.00 0.00 179.24 178.41 1w4x h LYS 106 N -0.26 0.91 -0.34 3.56 3.64 -0.31 -3.00 116.57 120.78 1w4x h LYS 106 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1w4x h LYS 106 Cb 0.22 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1w4x h LYS 106 CO 0.01 0.60 0.00 1.19 -2.27 0.00 0.00 179.45 178.99 1w4x n PHE 107 N -4.51 0.94 -3.98 1.91 3.72 -0.93 -4.98 117.46 109.64 1w4x n PHE 107 Ca 0.14 -0.75 -0.26 0.00 -0.05 0.00 0.00 57.45 56.53 1w4x n PHE 107 Cb 0.25 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1w4x n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1w4x n ASP 108 N -0.03 -0.39 0.11 4.37 2.03 -0.93 -4.88 116.55 116.82 1w4x n ASP 108 Ca 0.20 -1.02 -0.02 0.00 0.52 0.00 0.00 54.79 54.47 1w4x n ASP 108 Cb 0.79 -2.99 -0.04 0.00 -0.72 0.00 0.00 41.12 38.16 1w4x n ASP 108 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1w4x h LEU 109 N -1.82 0.00 -1.88 -2.67 3.38 -1.59 -3.28 115.31 107.44 1w4x h LEU 109 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1w4x h LEU 109 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1w4x h LEU 109 CO 0.63 0.71 0.00 0.03 0.09 0.00 0.00 178.44 179.91 1w4x h ARG 110 N 0.00 0.00 0.00 1.13 3.08 -1.90 -0.79 114.38 115.90 1w4x h ARG 110 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1w4x h ARG 110 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1w4x h ARG 110 CO 0.09 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.65 1w4x h SER 111 N 0.00 0.00 -0.65 7.04 4.64 -1.96 -2.25 113.55 120.38 1w4x h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w4x h SER 111 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1w4x h SER 111 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1w4x n GLY 112 N -0.54 2.61 3.16 -0.77 0.00 -0.30 -4.97 105.19 104.37 1w4x n GLY 112 Ca -0.01 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1w4x n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w4x s ILE 113 N -1.13 1.52 -0.40 -0.61 1.01 -0.85 -0.72 121.20 120.02 1w4x s ILE 113 Ca 0.45 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1w4x s ILE 113 Cb 0.24 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1w4x s ILE 113 CO 0.29 0.43 0.29 -0.89 0.00 0.00 0.00 174.94 175.06 1w4x s THR 114 N -0.04 5.20 0.73 2.92 2.01 0.17 -4.81 115.64 121.81 1w4x s THR 114 Ca -0.03 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 1w4x s THR 114 Cb -0.11 -3.89 0.10 0.00 0.01 0.00 0.00 72.50 68.61 1w4x s THR 114 CO 0.02 -0.29 1.03 -0.36 -0.69 0.00 0.00 174.62 174.33 1w4x s PHE 115 N 1.67 2.34 -2.04 4.92 0.08 -1.26 -1.17 117.98 122.52 1w4x s PHE 115 Ca 0.05 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1w4x s PHE 115 Cb -0.19 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1w4x s PHE 115 CO 0.10 -1.62 0.00 0.72 -0.10 0.00 0.00 175.22 174.32 1w4x n HIS 116 N -2.96 -0.40 -4.31 0.36 8.25 -0.67 -4.46 115.22 111.02 1w4x n HIS 116 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 1w4x n HIS 116 Cb 0.60 -3.66 -0.16 0.00 1.12 0.00 0.00 29.99 27.88 1w4x n HIS 116 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1w4x s THR 117 N -2.87 0.80 -0.20 1.59 2.01 -0.65 -4.94 115.64 111.39 1w4x s THR 117 Ca 0.00 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 1w4x s THR 117 Cb 0.00 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1w4x s THR 117 CO 0.00 0.29 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.25 1w4x s THR 118 N 0.87 3.17 0.04 -0.82 2.01 -1.26 -1.92 115.64 117.73 1w4x s THR 118 Ca -0.11 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1w4x s THR 118 Cb -0.15 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.87 1w4x s THR 118 CO 0.01 0.45 1.70 -0.69 -0.69 0.00 0.00 174.62 175.40 1w4x s VAL 119 N 1.26 3.12 -0.13 3.82 1.01 -1.26 -0.50 120.40 127.72 1w4x s VAL 119 Ca 0.03 0.46 0.14 0.00 0.00 0.00 0.00 61.98 62.61 1w4x s VAL 119 Cb -0.14 -3.30 -0.20 0.00 0.00 0.00 0.00 36.38 32.75 1w4x s VAL 119 CO -0.03 -0.01 0.09 0.35 0.00 0.00 0.00 175.10 175.50 1w4x n THR 120 N 4.97 0.91 -3.58 3.92 -2.24 -0.13 -4.78 114.28 113.34 1w4x n THR 120 Ca 0.17 -0.61 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 1w4x n THR 120 Cb 0.41 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1w4x n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1w4x s ALA 121 N -2.47 -1.39 -0.11 6.98 0.00 -1.16 -1.66 121.76 121.96 1w4x s ALA 121 Ca -0.07 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 1w4x s ALA 121 Cb 0.05 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1w4x s ALA 121 CO 0.63 -0.42 0.27 0.00 0.00 0.00 0.00 175.76 176.23 1w4x s ALA 122 N -1.86 -0.64 -0.03 0.00 0.00 -0.28 -0.25 121.76 118.70 1w4x s ALA 122 Ca -0.08 1.00 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1w4x s ALA 122 Cb -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1w4x s ALA 122 CO 0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 175.76 175.47 1w4x s ALA 123 N 0.99 1.19 0.16 0.00 0.00 -0.07 -0.85 121.76 123.18 1w4x s ALA 123 Ca -0.07 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1w4x s ALA 123 Cb -0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.60 1w4x s ALA 123 CO -0.07 0.24 0.92 0.12 0.00 0.00 0.00 175.76 176.97 1w4x s PHE 124 N -0.05 3.88 -0.32 0.00 5.36 -0.31 -0.97 117.98 125.58 1w4x s PHE 124 Ca -0.00 1.80 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 1w4x s PHE 124 Cb -0.08 -2.98 0.07 0.00 -0.34 0.00 0.00 43.02 39.69 1w4x s PHE 124 CO 0.01 0.34 0.02 0.34 -1.46 0.00 0.00 175.22 174.47 1w4x s ASP 125 N -0.55 4.86 0.24 6.13 2.15 0.52 -4.84 116.67 125.18 1w4x s ASP 125 Ca 0.43 -1.55 -0.07 0.00 0.43 0.00 0.00 52.55 51.79 1w4x s ASP 125 Cb -0.24 -1.69 0.22 0.00 -0.30 0.00 0.00 42.92 40.91 1w4x s ASP 125 CO 0.30 -0.31 1.91 -0.08 -0.17 0.00 0.00 175.17 176.81 1w4x h GLU 126 N 7.92 1.22 -0.40 4.34 4.57 -1.96 -0.15 114.58 130.11 1w4x h GLU 126 Ca -0.17 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1w4x h GLU 126 Cb 1.05 -0.27 -0.06 0.00 -0.16 0.00 0.00 28.75 29.31 1w4x h GLU 126 CO 0.55 0.82 0.05 0.00 -1.18 0.00 0.00 179.01 179.24 1w4x h ALA 127 N 1.33 0.41 0.00 2.92 0.00 -1.96 -3.04 119.26 118.92 1w4x h ALA 127 Ca 0.34 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1w4x h ALA 127 Cb -0.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1w4x h ALA 127 CO -0.07 -0.35 -0.87 0.25 0.00 0.00 0.00 179.25 178.20 1w4x n THR 128 N -5.14 0.02 -3.57 0.00 -2.24 -1.18 -4.98 114.28 97.19 1w4x n THR 128 Ca 0.03 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1w4x n THR 128 Cb 0.19 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1w4x n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1w4x n ASN 129 N -1.57 -2.27 -4.18 3.42 5.03 -0.09 -5.02 115.26 110.59 1w4x n ASN 129 Ca 0.04 -0.69 -0.11 0.00 0.87 0.00 0.00 54.58 54.68 1w4x n ASN 129 Cb 0.35 -4.66 -0.10 0.00 -1.02 0.00 0.00 39.78 34.34 1w4x n ASN 129 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1w4x s THR 130 N -3.47 0.72 -0.18 3.41 -4.23 -1.11 -4.74 115.64 106.05 1w4x s THR 130 Ca 0.09 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1w4x s THR 130 Cb -0.04 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 1w4x s THR 130 CO 0.77 -0.81 0.13 0.26 -0.54 0.00 0.00 174.62 174.43 1w4x s TRP 131 N -3.61 3.47 -0.24 3.99 0.52 0.17 -0.35 118.94 122.89 1w4x s TRP 131 Ca 0.14 0.39 -0.09 0.00 0.02 0.00 0.00 56.10 56.56 1w4x s TRP 131 Cb 0.05 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1w4x s TRP 131 CO -0.03 0.42 0.13 0.95 0.02 0.00 0.00 176.95 178.44 1w4x s THR 132 N -0.06 5.02 -0.13 2.01 -4.23 -0.14 -1.32 115.64 116.79 1w4x s THR 132 Ca 0.10 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1w4x s THR 132 Cb -0.11 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1w4x s THR 132 CO -0.00 0.35 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.58 1w4x s VAL 133 N 1.18 2.71 0.08 2.29 1.01 0.56 -0.89 120.40 127.35 1w4x s VAL 133 Ca 0.06 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1w4x s VAL 133 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1w4x s VAL 133 CO 0.05 0.53 0.04 -1.81 0.00 0.00 0.00 175.10 173.91 1w4x s ASP 134 N 0.53 5.29 0.39 3.32 1.01 0.66 -0.92 116.67 126.94 1w4x s ASP 134 Ca -0.10 -0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.14 1w4x s ASP 134 Cb -0.16 -1.35 -0.08 0.00 1.01 0.00 0.00 42.92 42.35 1w4x s ASP 134 CO 0.04 0.18 0.00 0.42 0.21 0.00 0.00 175.17 176.02 1w4x s THR 135 N -1.35 1.90 -1.88 -1.27 -4.23 -0.97 -0.96 115.64 106.88 1w4x s THR 135 Ca 0.27 -2.03 0.23 0.00 -1.18 0.00 0.00 61.69 58.99 1w4x s THR 135 Cb -0.12 -2.91 0.62 0.00 1.34 0.00 0.00 72.50 71.43 1w4x s THR 135 CO 0.20 -0.03 1.77 -0.46 -0.54 0.00 0.00 174.62 175.56 1w4x n ASN 136 N -0.90 0.00 -1.21 3.99 6.94 0.35 -1.91 115.26 122.52 1w4x n ASN 136 Ca -0.05 -0.60 0.08 0.00 -0.02 0.00 0.00 54.58 54.00 1w4x n ASN 136 Cb 0.66 -0.06 0.30 0.00 -2.36 0.00 0.00 39.78 38.33 1w4x n ASN 136 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1w4x n HIS 137 N -1.06 1.29 -2.70 -2.53 8.25 -1.26 -4.97 115.22 112.24 1w4x n HIS 137 Ca 0.16 -0.81 -0.22 0.00 -0.26 0.00 0.00 57.72 56.60 1w4x n HIS 137 Cb 0.10 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 30.86 1w4x n HIS 137 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w4x n GLY 138 N -0.07 -0.51 3.83 -1.41 0.00 -0.80 -5.00 105.19 101.23 1w4x n GLY 138 Ca 0.23 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1w4x n GLY 138 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w4x s ASP 139 N -2.36 6.85 -0.12 1.61 1.01 -1.26 -4.91 116.67 117.50 1w4x s ASP 139 Ca 0.15 1.51 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1w4x s ASP 139 Cb -0.06 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1w4x s ASP 139 CO 0.18 -0.31 -0.11 -0.60 0.21 0.00 0.00 175.17 174.54 1w4x s ARG 140 N -3.15 1.83 -0.06 8.23 3.52 -1.26 -2.30 118.95 125.76 1w4x s ARG 140 Ca 0.59 -0.39 0.05 0.00 -0.13 0.00 0.00 55.73 55.85 1w4x s ARG 140 Cb -0.10 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.55 1w4x s ARG 140 CO 0.16 -0.20 -0.21 0.42 -0.81 0.00 0.00 175.30 174.66 1w4x s ILE 141 N 1.43 2.43 -0.31 4.11 1.09 -0.10 -4.66 121.20 125.20 1w4x s ILE 141 Ca 0.01 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.55 1w4x s ILE 141 Cb -0.13 -1.91 0.02 0.00 -1.06 0.00 0.00 42.46 39.37 1w4x s ILE 141 CO -0.07 0.57 0.10 -0.13 -0.10 0.00 0.00 174.94 175.32 1w4x s ARG 142 N -0.30 2.96 0.06 2.79 0.52 -0.20 -0.32 118.95 124.46 1w4x s ARG 142 Ca 0.01 -0.95 0.09 0.00 -0.52 0.00 0.00 55.73 54.36 1w4x s ARG 142 Cb -0.13 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 1w4x s ARG 142 CO 0.02 -0.52 -0.25 0.00 0.02 0.00 0.00 175.30 174.57 1w4x s ALA 143 N 1.49 2.14 0.01 2.13 0.00 -0.44 -1.02 121.76 126.07 1w4x s ALA 143 Ca 0.02 -1.25 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 1w4x s ALA 143 Cb -0.18 -0.42 -0.17 0.00 0.00 0.00 0.00 23.12 22.35 1w4x s ALA 143 CO 0.03 0.49 1.27 -0.09 0.00 0.00 0.00 175.76 177.46 1w4x h ARG 144 N 4.63 0.29 -6.67 0.00 9.65 -1.20 0.49 114.38 121.57 1w4x h ARG 144 Ca -0.46 -0.18 -0.69 0.00 -1.10 0.00 0.00 59.98 57.55 1w4x h ARG 144 Cb 1.15 0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 29.52 1w4x h ARG 144 CO 0.43 0.76 -0.84 0.71 2.80 0.00 0.00 179.97 183.83 1w4x s TYR 145 N -4.03 2.45 -0.16 2.20 2.02 -0.30 -4.32 117.35 115.21 1w4x s TYR 145 Ca -0.15 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1w4x s TYR 145 Cb 0.04 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1w4x s TYR 145 CO 0.75 0.22 -0.20 -1.17 -1.57 0.00 0.00 175.55 173.58 1w4x s LEU 146 N -1.45 2.18 -0.22 -1.29 2.96 -0.22 -1.26 118.68 119.39 1w4x s LEU 146 Ca 0.14 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1w4x s LEU 146 Cb -0.10 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1w4x s LEU 146 CO 0.04 0.04 0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 1w4x s ILE 147 N 1.07 3.97 -0.64 6.68 1.01 -0.02 -1.06 121.20 132.20 1w4x s ILE 147 Ca -0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1w4x s ILE 147 Cb -0.14 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.62 1w4x s ILE 147 CO -0.07 0.40 0.77 -0.04 0.00 0.00 0.00 174.94 176.00 1w4x s MET 148 N 1.31 3.13 -0.60 2.79 -1.94 0.67 -0.89 119.30 123.75 1w4x s MET 148 Ca 0.04 -1.37 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 1w4x s MET 148 Cb -0.15 -4.32 0.43 0.00 2.01 0.00 0.00 34.83 32.80 1w4x s MET 148 CO 0.01 -1.58 1.78 0.00 -0.01 0.00 0.00 175.02 175.22 1w4x n ALA 149 N 6.38 5.99 1.05 3.03 0.00 -0.06 -1.69 120.51 135.22 1w4x n ALA 149 Ca -0.05 -3.73 0.11 0.00 0.00 0.00 0.00 53.44 49.76 1w4x n ALA 149 Cb 0.44 -1.41 0.34 0.00 0.00 0.00 0.00 19.45 18.82 1w4x n ALA 149 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1w4x n SER 150 N -0.77 2.01 0.00 0.00 3.41 -1.12 -4.32 113.62 112.83 1w4x n SER 150 Ca 0.55 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1w4x n SER 150 Cb 0.65 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1w4x n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w4x n GLY 151 N 1.20 -0.32 0.00 5.00 0.00 -1.26 -4.82 105.19 104.98 1w4x n GLY 151 Ca 0.17 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1w4x n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w4x n GLN 152 N -0.41 0.30 -4.31 1.61 3.00 -1.26 -4.82 117.38 111.48 1w4x n GLN 152 Ca 0.00 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1w4x n GLN 152 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 30.24 29.07 1w4x n GLN 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1w4x s LEU 153 N -3.12 2.58 0.13 1.08 1.43 -1.26 -4.03 118.68 115.49 1w4x s LEU 153 Ca -0.00 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1w4x s LEU 153 Cb 0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1w4x s LEU 153 CO 0.03 0.05 0.06 -0.94 0.23 0.00 0.00 176.35 175.78 1w4x s SER 154 N 1.01 0.30 0.09 2.29 1.04 -1.26 -4.99 113.70 112.18 1w4x s SER 154 Ca -0.01 -1.21 -0.31 0.00 0.48 0.00 0.00 55.95 54.91 1w4x s SER 154 Cb -0.15 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.18 1w4x s SER 154 CO -0.02 -0.73 1.85 0.68 0.98 0.00 0.00 173.24 175.99 1w4x s VAL 155 N -4.05 2.74 0.39 5.02 -7.23 -1.26 -1.11 120.40 114.90 1w4x s VAL 155 Ca 0.24 0.09 -0.27 0.00 -1.81 0.00 0.00 61.98 60.23 1w4x s VAL 155 Cb 0.07 -3.06 -0.10 0.00 0.56 0.00 0.00 36.38 33.85 1w4x s VAL 155 CO 0.02 -0.00 1.44 -2.16 -0.31 0.00 0.00 175.10 174.09 1w4x s PRO 156 N 3.26 4.03 -1.17 4.82 0.04 -1.26 -4.65 135.00 140.07 1w4x s PRO 156 Ca 0.82 2.48 -0.06 0.00 0.04 0.00 0.00 61.00 64.28 1w4x s PRO 156 Cb -0.44 -2.90 0.24 0.00 0.04 0.00 0.00 34.50 31.44 1w4x s PRO 156 CO 0.37 -0.56 1.66 1.04 0.04 0.00 0.00 177.00 179.56 1w4x n GLN 157 N 0.33 4.10 -4.29 4.56 1.13 -1.26 -4.94 117.38 117.00 1w4x n GLN 157 Ca 0.02 -4.09 -0.19 0.00 -1.94 0.00 0.00 57.00 50.80 1w4x n GLN 157 Cb 0.40 -2.70 -0.13 0.00 0.11 0.00 0.00 30.24 27.92 1w4x n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1w4x s LEU 158 N -1.59 2.18 0.78 1.08 1.43 -1.26 -5.14 118.68 116.15 1w4x s LEU 158 Ca 0.35 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1w4x s LEU 158 Cb 0.07 -0.52 0.05 0.00 0.03 0.00 0.00 46.19 45.82 1w4x s LEU 158 CO 0.06 -0.00 1.08 -0.81 0.23 0.00 0.00 176.35 176.91 1w4x n PRO 159 N 1.88 0.33 -1.99 1.29 -0.04 -1.26 -5.02 135.00 130.20 1w4x n PRO 159 Ca -0.18 0.18 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 1w4x n PRO 159 Cb 0.55 -2.34 0.11 0.00 -0.04 0.00 0.00 33.50 31.78 1w4x n PRO 159 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1w4x s ASN 160 N -1.90 4.25 0.48 3.54 0.01 -1.26 -5.00 114.94 115.06 1w4x s ASN 160 Ca 0.73 0.57 -0.22 0.00 -0.71 0.00 0.00 52.86 53.23 1w4x s ASN 160 Cb -0.31 -0.99 -0.09 0.00 0.41 0.00 0.00 41.25 40.28 1w4x s ASN 160 CO 0.51 -2.03 0.99 0.49 -1.51 0.00 0.00 177.10 175.54 1w4x n PHE 161 N -3.33 1.03 -1.68 2.20 3.72 -1.26 -4.85 117.46 113.29 1w4x n PHE 161 Ca 0.10 0.51 -0.44 0.00 -0.05 0.00 0.00 57.45 57.56 1w4x n PHE 161 Cb 0.61 -2.20 -0.03 0.00 -0.94 0.00 0.00 39.48 36.92 1w4x n PHE 161 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1w4x n PRO 162 N -0.21 2.16 -0.58 -1.08 -0.04 -1.26 -2.69 135.00 131.30 1w4x n PRO 162 Ca 0.10 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1w4x n PRO 162 Cb 0.42 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1w4x n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w4x n GLY 163 N 2.38 0.77 0.36 0.55 0.00 -1.26 -0.84 105.19 107.15 1w4x n GLY 163 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1w4x n GLY 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1w4x h LEU 164 N 0.00 0.87 -1.55 0.99 5.85 -1.74 -0.33 115.31 119.40 1w4x h LEU 164 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1w4x h LEU 164 Cb 0.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1w4x h LEU 164 CO 0.00 0.46 0.00 0.07 -0.34 0.00 0.00 178.44 178.63 1w4x h LYS 165 N 0.93 0.00 0.00 1.25 2.10 -1.92 -2.56 116.57 116.38 1w4x h LYS 165 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1w4x h LYS 165 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1w4x h LYS 165 CO -0.26 0.00 -0.23 -0.44 -2.00 0.00 0.00 179.45 176.53 1w4x h ASP 166 N 0.00 0.00 -2.42 7.07 3.32 -1.39 -3.47 116.42 119.53 1w4x h ASP 166 Ca 0.00 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.47 1w4x h ASP 166 Cb 0.31 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.92 1w4x h ASP 166 CO 0.00 0.01 0.89 0.33 -1.72 0.00 0.00 179.24 178.76 1w4x n PHE 167 N -2.69 2.47 0.82 4.55 7.35 -0.97 -3.77 117.46 125.23 1w4x n PHE 167 Ca 0.04 0.17 0.11 0.00 -0.76 0.00 0.00 57.45 57.01 1w4x n PHE 167 Cb 0.49 -2.60 0.09 0.00 0.35 0.00 0.00 39.48 37.81 1w4x n PHE 167 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1w4x n ALA 168 N 3.72 3.69 -1.35 3.13 0.00 -0.64 -4.91 120.51 124.16 1w4x n ALA 168 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1w4x n ALA 168 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1w4x n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4x n GLY 169 N 1.44 0.25 3.71 0.00 0.00 -1.26 -5.05 105.19 104.28 1w4x n GLY 169 Ca 0.04 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 1w4x n GLY 169 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1w4x s ASN 170 N -1.00 6.92 -0.16 1.61 -0.87 -0.65 -4.96 114.94 115.83 1w4x s ASN 170 Ca 0.00 1.11 -0.03 0.00 -1.57 0.00 0.00 52.86 52.36 1w4x s ASN 170 Cb 0.00 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.81 1w4x s ASN 170 CO 0.00 -0.14 -0.04 -0.22 -2.57 0.00 0.00 177.10 174.12 1w4x s LEU 171 N 1.01 3.20 0.11 0.60 2.96 -1.26 -0.68 118.68 124.62 1w4x s LEU 171 Ca 0.35 -0.15 0.09 0.00 -0.22 0.00 0.00 54.13 54.20 1w4x s LEU 171 Cb -0.17 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1w4x s LEU 171 CO 0.16 0.16 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.83 1w4x s TYR 172 N 0.39 1.87 -0.09 5.38 2.02 0.70 -4.97 117.35 122.65 1w4x s TYR 172 Ca -0.04 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1w4x s TYR 172 Cb -0.14 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1w4x s TYR 172 CO 0.03 0.24 -0.22 -1.01 -1.57 0.00 0.00 175.55 173.01 1w4x s HIS 173 N -1.21 2.38 0.48 2.71 3.76 -1.26 -1.01 115.29 121.14 1w4x s HIS 173 Ca 0.08 -0.95 0.23 0.00 -0.15 0.00 0.00 55.06 54.27 1w4x s HIS 173 Cb -0.10 -1.60 1.41 0.00 1.11 0.00 0.00 32.58 33.40 1w4x s HIS 173 CO 0.05 -0.38 2.11 1.79 -0.85 0.00 0.00 174.74 177.45 1w4x h THR 174 N 5.70 0.76 0.00 1.30 1.35 -1.60 -2.11 112.91 118.31 1w4x h THR 174 Ca -0.22 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1w4x h THR 174 Cb 1.23 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1w4x h THR 174 CO 0.47 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1w4x n GLY 175 N -1.04 -1.39 2.60 5.82 0.00 -1.26 -4.12 105.19 105.79 1w4x n GLY 175 Ca -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1w4x n GLY 175 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1w4x n ASN 176 N -1.54 -1.89 -4.79 1.61 5.15 -0.83 -4.61 115.26 108.37 1w4x n ASN 176 Ca 0.06 -3.29 -0.36 0.00 -0.60 0.00 0.00 54.58 50.40 1w4x n ASN 176 Cb 0.30 1.22 -0.04 0.00 -0.53 0.00 0.00 39.78 40.73 1w4x n ASN 176 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1w4x s TRP 177 N -0.03 3.26 0.63 1.20 -0.11 -1.00 -4.43 118.94 118.45 1w4x s TRP 177 Ca 0.31 1.64 -0.18 0.00 1.22 0.00 0.00 56.10 59.09 1w4x s TRP 177 Cb 0.25 -3.06 -0.04 0.00 -1.50 0.00 0.00 33.47 29.11 1w4x s TRP 177 CO -0.16 -0.53 0.87 -2.30 -4.62 0.00 0.00 176.95 170.22 1w4x n PRO 178 N -0.26 0.73 0.09 5.86 -0.02 -1.26 -4.89 135.00 135.24 1w4x n PRO 178 Ca 0.06 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1w4x n PRO 178 Cb 0.51 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 1w4x n PRO 178 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1w4x h HIS 179 N 0.25 0.30 -3.51 6.00 3.86 -1.97 -3.44 115.15 116.64 1w4x h HIS 179 Ca -0.48 -0.20 -0.53 0.00 -1.16 0.00 0.00 60.37 58.00 1w4x h HIS 179 Cb 1.37 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.79 1w4x h HIS 179 CO 0.36 1.12 -0.06 -1.83 0.86 0.00 0.00 177.93 178.39 1w4x s GLU 180 N -2.80 3.86 0.49 2.45 -1.05 -1.26 -5.05 118.70 115.34 1w4x s GLU 180 Ca -0.02 0.38 -0.24 0.00 -0.15 0.00 0.00 54.97 54.95 1w4x s GLU 180 Cb 0.09 -2.59 -0.07 0.00 -0.44 0.00 0.00 34.13 31.12 1w4x s GLU 180 CO 0.85 0.27 1.37 -2.14 0.95 0.00 0.00 175.26 176.57 1w4x s PRO 181 N -2.86 3.46 -0.21 -4.83 0.02 -1.26 -5.01 135.00 124.32 1w4x s PRO 181 Ca 0.49 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.72 1w4x s PRO 181 Cb -0.11 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1w4x s PRO 181 CO 0.20 -0.95 0.06 0.08 -0.33 0.00 0.00 177.00 176.06 1w4x s VAL 182 N -1.27 4.59 -0.32 3.83 1.01 -1.26 -5.08 120.40 121.91 1w4x s VAL 182 Ca 0.66 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1w4x s VAL 182 Cb -0.41 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1w4x s VAL 182 CO 0.51 0.41 0.19 -0.62 0.00 0.00 0.00 175.10 175.59 1w4x s ASP 183 N 0.83 5.79 0.00 3.32 2.15 -1.26 -4.95 116.67 122.55 1w4x s ASP 183 Ca 0.03 -0.41 0.18 0.00 0.43 0.00 0.00 52.55 52.79 1w4x s ASP 183 Cb -0.14 -2.07 0.52 0.00 -0.30 0.00 0.00 42.92 40.93 1w4x s ASP 183 CO 0.02 -0.19 1.43 0.49 -0.17 0.00 0.00 175.17 176.75 1w4x n PHE 184 N 5.04 0.73 -1.64 -5.34 3.72 -1.26 -4.98 117.46 113.72 1w4x n PHE 184 Ca -0.13 -0.37 -0.48 0.00 -0.05 0.00 0.00 57.45 56.42 1w4x n PHE 184 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 1w4x n PHE 184 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1w4x n SER 185 N 1.17 2.62 0.00 4.37 7.64 -1.25 -1.83 113.62 126.35 1w4x n SER 185 Ca 0.19 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1w4x n SER 185 Cb 0.49 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1w4x n SER 185 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w4x n GLY 186 N 3.07 0.99 3.87 0.23 0.00 -1.25 -4.88 105.19 107.22 1w4x n GLY 186 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1w4x n GLY 186 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w4x s GLN 187 N -0.07 3.26 -0.34 1.61 -0.21 -0.76 -4.56 119.66 118.58 1w4x s GLN 187 Ca 0.00 -0.51 -0.23 0.00 0.02 0.00 0.00 55.36 54.64 1w4x s GLN 187 Cb 0.00 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 31.07 1w4x s GLN 187 CO 0.00 0.60 0.77 1.03 -2.12 0.00 0.00 175.29 175.57 1w4x s ARG 188 N -2.40 3.82 -0.04 2.91 0.52 -1.26 -0.33 118.95 122.17 1w4x s ARG 188 Ca 0.32 0.38 0.06 0.00 -0.52 0.00 0.00 55.73 55.97 1w4x s ARG 188 Cb -0.13 -3.78 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1w4x s ARG 188 CO 0.25 -0.78 -0.20 0.08 0.02 0.00 0.00 175.30 174.67 1w4x s VAL 189 N 3.01 2.56 -0.09 3.52 1.01 0.10 0.03 120.40 130.55 1w4x s VAL 189 Ca 0.31 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1w4x s VAL 189 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1w4x s VAL 189 CO 0.15 0.58 -0.05 -0.83 0.00 0.00 0.00 175.10 174.96 1w4x s GLY 190 N -0.63 1.73 -0.17 4.51 0.00 -0.56 -1.06 107.32 111.13 1w4x s GLY 190 Ca 0.10 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1w4x s GLY 190 CO 0.00 -0.50 -0.20 0.14 0.00 0.00 0.00 173.10 172.53 1w4x s VAL 191 N -0.53 2.06 -0.31 1.40 1.01 0.27 -0.12 120.40 124.18 1w4x s VAL 191 Ca 0.08 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1w4x s VAL 191 Cb -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1w4x s VAL 191 CO 0.02 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.17 1w4x s ILE 192 N 1.20 4.44 0.00 2.22 1.01 -0.20 -0.15 121.20 129.72 1w4x s ILE 192 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1w4x s ILE 192 Cb -0.13 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1w4x s ILE 192 CO -0.11 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1w4x n GLY 193 N 4.95 3.61 1.98 6.18 0.00 -0.92 -0.83 105.19 120.16 1w4x n GLY 193 Ca -0.14 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 1w4x n GLY 193 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w4x n THR 194 N 0.30 1.77 -0.12 2.61 -2.24 -1.26 -4.02 114.28 111.31 1w4x n THR 194 Ca 0.00 -3.25 0.00 0.00 -2.27 0.00 0.00 64.05 58.53 1w4x n THR 194 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1w4x n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w4x n GLY 195 N -0.59 0.47 0.18 3.38 0.00 -1.26 -4.42 105.19 102.95 1w4x n GLY 195 Ca 0.24 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1w4x n GLY 195 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1w4x h SER 196 N 0.00 -0.13 -0.42 1.61 0.87 -1.93 -0.77 113.55 112.77 1w4x h SER 196 Ca 0.00 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 1w4x h SER 196 Cb 0.00 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1w4x h SER 196 CO 0.00 -0.03 0.04 0.28 -0.53 0.00 0.00 176.83 176.59 1w4x h SER 197 N 0.13 0.70 -0.45 6.23 0.02 -1.87 -1.85 113.55 116.46 1w4x h SER 197 Ca 0.21 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1w4x h SER 197 Cb 0.29 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1w4x h SER 197 CO -0.33 0.80 0.18 1.23 -1.14 0.00 0.00 176.83 177.57 1w4x h GLY 198 N 0.57 0.72 1.00 -3.77 0.00 -1.59 0.53 103.07 100.52 1w4x h GLY 198 Ca 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1w4x h GLY 198 CO 0.01 0.37 0.13 -2.22 0.00 0.00 0.00 176.54 174.83 1w4x h ILE 199 N 0.58 1.25 -0.27 2.60 2.04 -1.14 -1.48 117.51 121.09 1w4x h ILE 199 Ca 0.15 -0.89 -0.18 0.00 1.00 0.00 0.00 64.86 64.94 1w4x h ILE 199 Cb 0.20 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1w4x h ILE 199 CO -0.01 0.32 -0.56 1.56 0.00 0.00 0.00 178.15 179.46 1w4x h GLN 200 N 0.78 0.82 0.06 2.37 4.20 -1.23 -3.36 115.11 118.75 1w4x h GLN 200 Ca 0.17 -0.53 -0.24 0.00 0.06 0.00 0.00 58.65 58.11 1w4x h GLN 200 Cb 0.35 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1w4x h GLN 200 CO 0.00 1.16 -1.14 -0.24 -0.67 0.00 0.00 178.83 177.94 1w4x h VAL 201 N 0.63 1.59 -0.16 -0.54 3.04 -0.86 -3.39 116.25 116.55 1w4x h VAL 201 Ca 0.01 -3.23 0.00 0.00 -1.01 0.00 0.00 66.70 62.47 1w4x h VAL 201 Cb 1.16 2.89 -0.01 0.00 -2.01 0.00 0.00 31.29 33.32 1w4x h VAL 201 CO 0.12 0.93 0.10 0.28 -1.01 0.00 0.00 177.57 177.99 1w4x h SER 202 N 0.04 0.17 0.10 3.17 0.02 -1.41 -2.24 113.55 113.39 1w4x h SER 202 Ca -0.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1w4x h SER 202 Cb 1.87 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.37 1w4x h SER 202 CO 0.16 0.12 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.27 1w4x h PRO 203 N 0.21 0.00 -0.13 3.45 0.11 -1.77 0.32 132.00 134.19 1w4x h PRO 203 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1w4x h PRO 203 Cb -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1w4x h PRO 203 CO -0.02 0.05 -0.04 1.96 -0.21 0.00 0.00 178.00 179.75 1w4x h GLN 204 N 0.00 0.26 -0.63 1.05 1.08 -1.63 -3.12 115.11 112.12 1w4x h GLN 204 Ca -0.00 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1w4x h GLN 204 Cb 0.12 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1w4x h GLN 204 CO 0.01 0.56 0.29 0.82 -0.95 0.00 0.00 178.83 179.56 1w4x h ILE 205 N -0.06 1.21 -0.02 2.54 2.04 -0.99 -2.35 117.51 119.88 1w4x h ILE 205 Ca 0.03 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1w4x h ILE 205 Cb 0.47 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1w4x h ILE 205 CO 0.01 0.25 0.03 0.00 0.00 0.00 0.00 178.15 178.44 1w4x h ALA 206 N 1.43 1.55 0.00 1.87 0.00 -0.91 -0.76 119.26 122.45 1w4x h ALA 206 Ca 0.22 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1w4x h ALA 206 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1w4x h ALA 206 CO -0.03 -0.04 -0.51 0.87 0.00 0.00 0.00 179.25 179.55 1w4x h LYS 207 N 0.00 0.00 0.00 0.00 1.57 -1.36 -3.36 116.57 113.42 1w4x h LYS 207 Ca 0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 1w4x h LYS 207 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1w4x h LYS 207 CO -0.00 0.51 -1.88 1.04 -0.57 0.00 0.00 179.45 178.55 1w4x n GLN 208 N -3.83 0.39 -1.73 3.15 6.02 -0.54 -5.06 117.38 115.77 1w4x n GLN 208 Ca -0.01 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.68 1w4x n GLN 208 Cb 0.54 -1.31 0.04 0.00 1.02 0.00 0.00 30.24 30.53 1w4x n GLN 208 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w4x n ALA 209 N -2.95 1.52 -0.14 -1.58 0.00 -0.40 -3.80 120.51 113.16 1w4x n ALA 209 Ca -0.27 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1w4x n ALA 209 Cb 0.79 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1w4x n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w4x h ALA 210 N 1.54 0.54 -2.96 0.00 0.00 -0.84 -3.45 119.26 114.10 1w4x h ALA 210 Ca -0.50 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 53.98 1w4x h ALA 210 Cb 1.30 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 1w4x h ALA 210 CO 0.57 0.32 -0.57 -1.21 0.00 0.00 0.00 179.25 178.37 1w4x s GLU 211 N -5.01 0.37 -0.07 0.00 0.41 -0.86 -4.79 118.70 108.76 1w4x s GLU 211 Ca -0.13 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1w4x s GLU 211 Cb 0.10 0.15 0.02 0.00 -1.78 0.00 0.00 34.13 32.62 1w4x s GLU 211 CO 0.79 -0.08 -0.06 -1.17 -0.49 0.00 0.00 175.26 174.26 1w4x s LEU 212 N -1.11 1.19 -0.21 1.80 2.96 0.51 -0.72 118.68 123.10 1w4x s LEU 212 Ca -0.12 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1w4x s LEU 212 Cb -0.07 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 1w4x s LEU 212 CO 0.01 -0.08 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.58 1w4x s PHE 213 N 1.28 3.01 -0.25 5.38 0.08 -0.22 0.03 117.98 127.30 1w4x s PHE 213 Ca -0.05 -0.58 -0.06 0.00 0.12 0.00 0.00 56.93 56.36 1w4x s PHE 213 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1w4x s PHE 213 CO -0.02 -0.33 0.05 0.08 -0.10 0.00 0.00 175.22 174.90 1w4x s VAL 214 N 1.15 4.04 -0.50 -0.44 1.01 0.19 -0.56 120.40 125.29 1w4x s VAL 214 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1w4x s VAL 214 Cb -0.14 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1w4x s VAL 214 CO 0.01 0.32 0.50 -0.36 0.00 0.00 0.00 175.10 175.56 1w4x s PHE 215 N 1.57 3.17 -0.22 5.22 0.08 0.78 0.41 117.98 128.98 1w4x s PHE 215 Ca 0.06 -0.83 -0.07 0.00 0.12 0.00 0.00 56.93 56.21 1w4x s PHE 215 Cb -0.15 -3.38 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 1w4x s PHE 215 CO 0.02 -0.92 0.05 -1.14 -0.10 0.00 0.00 175.22 173.13 1w4x s GLN 216 N 2.02 3.71 0.00 0.44 0.74 0.24 -2.17 119.66 124.65 1w4x s GLN 216 Ca 0.08 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1w4x s GLN 216 Cb -0.23 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1w4x s GLN 216 CO 0.08 -0.05 0.00 -2.13 -0.55 0.00 0.00 175.29 172.64 1w4x n ARG 217 N 4.49 0.00 -3.28 1.67 0.63 -1.26 -1.13 116.66 117.78 1w4x n ARG 217 Ca -0.16 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.38 1w4x n ARG 217 Cb 0.52 -0.13 -0.07 0.00 0.45 0.00 0.00 32.46 33.22 1w4x n ARG 217 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1w4x s THR 218 N 0.00 5.12 0.19 5.15 2.01 -1.26 -4.46 115.64 122.40 1w4x s THR 218 Ca 0.00 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1w4x s THR 218 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1w4x s THR 218 CO 0.00 0.17 1.16 -2.16 -0.69 0.00 0.00 174.62 173.11 1w4x s PRO 219 N 1.72 4.53 0.15 4.92 0.05 -1.26 -4.78 135.00 140.33 1w4x s PRO 219 Ca 0.22 1.83 0.05 0.00 0.05 0.00 0.00 61.00 63.15 1w4x s PRO 219 Cb -0.15 -3.24 -0.04 0.00 0.05 0.00 0.00 34.50 31.11 1w4x s PRO 219 CO 0.09 -0.02 0.08 -1.01 0.05 0.00 0.00 177.00 176.19 1w4x s HIS 220 N -0.22 3.06 0.29 0.56 3.76 -1.26 -4.49 115.29 116.99 1w4x s HIS 220 Ca 0.51 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 55.09 1w4x s HIS 220 Cb -0.32 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 31.78 1w4x s HIS 220 CO 0.37 0.51 1.13 -0.06 -0.85 0.00 0.00 174.74 175.84 1w4x s PHE 221 N -1.64 3.48 -0.12 1.40 0.08 -1.26 -4.74 117.98 115.18 1w4x s PHE 221 Ca 0.29 1.65 -0.15 0.00 0.12 0.00 0.00 56.93 58.85 1w4x s PHE 221 Cb -0.10 -3.34 0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1w4x s PHE 221 CO 0.21 -0.76 0.39 0.00 -0.10 0.00 0.00 175.22 174.96 1w4x s ALA 222 N -1.18 -0.97 0.24 5.36 0.00 -1.26 -4.27 121.76 119.68 1w4x s ALA 222 Ca 0.46 0.95 0.11 0.00 0.00 0.00 0.00 51.96 53.48 1w4x s ALA 222 Cb -0.33 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1w4x s ALA 222 CO 0.42 -0.21 -0.20 0.14 0.00 0.00 0.00 175.76 175.91 1w4x s VAL 223 N -0.19 2.30 0.27 0.00 -7.23 -0.74 -4.88 120.40 109.93 1w4x s VAL 223 Ca -0.03 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.61 1w4x s VAL 223 Cb -0.03 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 1w4x s VAL 223 CO 0.02 -0.33 1.41 -2.84 -0.31 0.00 0.00 175.10 173.04 1w4x s PRO 224 N -3.21 4.28 0.09 4.82 0.02 -1.26 -0.01 135.00 139.73 1w4x s PRO 224 Ca 0.25 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.39 1w4x s PRO 224 Cb -0.05 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 1w4x s PRO 224 CO 0.12 -0.37 1.48 0.00 -0.33 0.00 0.00 177.00 177.90 1w4x h ALA 225 N 4.55 0.38 -6.22 -1.55 0.00 -1.51 -1.35 119.26 113.56 1w4x h ALA 225 Ca -0.47 -0.28 -0.45 0.00 0.00 0.00 0.00 54.91 53.72 1w4x h ALA 225 Cb 1.22 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1w4x h ALA 225 CO 0.74 0.20 -0.83 0.54 0.00 0.00 0.00 179.25 179.90 1w4x n ARG 226 N -4.51 -4.63 -1.74 0.00 5.12 -1.26 -3.30 116.66 106.34 1w4x n ARG 226 Ca -0.03 0.57 -0.35 0.00 -1.93 0.00 0.00 57.85 56.10 1w4x n ARG 226 Cb 0.31 -5.09 0.06 0.00 -1.16 0.00 0.00 32.46 26.59 1w4x n ARG 226 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1w4x s ASN 227 N -4.19 4.72 0.04 0.55 2.47 -1.26 -4.96 114.94 112.31 1w4x s ASN 227 Ca 0.12 2.38 -0.27 0.00 0.42 0.00 0.00 52.86 55.51 1w4x s ASN 227 Cb -0.06 -2.59 0.08 0.00 -1.45 0.00 0.00 41.25 37.23 1w4x s ASN 227 CO 0.83 -1.91 0.71 0.00 -3.72 0.00 0.00 177.10 173.01 1w4x s ALA 228 N -1.77 -1.72 0.40 1.71 0.00 -1.26 -4.99 121.76 114.13 1w4x s ALA 228 Ca 0.76 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 53.39 1w4x s ALA 228 Cb -0.30 0.39 -0.11 0.00 0.00 0.00 0.00 23.12 23.10 1w4x s ALA 228 CO 0.39 -0.59 1.30 -2.30 0.00 0.00 0.00 175.76 174.56 1w4x n PRO 229 N 0.14 2.06 -2.81 0.00 -0.02 -1.26 -0.44 135.00 132.66 1w4x n PRO 229 Ca -0.16 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1w4x n PRO 229 Cb 0.61 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 1w4x n PRO 229 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1w4x s LEU 230 N -1.55 4.01 -0.15 2.45 2.96 -0.11 -4.65 118.68 121.63 1w4x s LEU 230 Ca 0.59 0.67 -0.33 0.00 -0.22 0.00 0.00 54.13 54.84 1w4x s LEU 230 Cb -0.52 -3.27 -0.10 0.00 0.50 0.00 0.00 46.19 42.80 1w4x s LEU 230 CO 0.60 -0.81 1.99 -0.67 -1.32 0.00 0.00 176.35 176.14 1w4x n ASP 231 N 6.67 3.26 -0.02 3.68 2.03 -1.26 -4.83 116.55 126.07 1w4x n ASP 231 Ca 0.07 0.76 0.12 0.00 0.52 0.00 0.00 54.79 56.26 1w4x n ASP 231 Cb 0.48 -1.39 0.54 0.00 -0.72 0.00 0.00 41.12 40.03 1w4x n ASP 231 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1w4x h PRO 232 N 10.76 0.30 -0.29 -0.67 0.11 -1.94 -1.16 132.00 139.10 1w4x h PRO 232 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1w4x h PRO 232 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1w4x h PRO 232 CO 0.96 0.20 0.00 1.49 -0.21 0.00 0.00 178.00 180.44 1w4x h GLU 233 N 0.31 0.51 -0.27 1.05 4.81 -1.99 -1.26 114.58 117.73 1w4x h GLU 233 Ca 0.22 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1w4x h GLU 233 Cb 0.48 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1w4x h GLU 233 CO -0.05 0.66 0.17 0.35 -0.73 0.00 0.00 179.01 179.40 1w4x h PHE 234 N 0.30 0.31 -0.66 0.92 3.57 -1.64 -1.82 116.94 117.93 1w4x h PHE 234 Ca 0.08 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1w4x h PHE 234 Cb 0.43 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1w4x h PHE 234 CO 0.04 0.19 0.25 1.25 -2.23 0.00 0.00 178.31 177.80 1w4x h LEU 235 N 0.34 0.92 -0.84 0.59 5.85 -1.18 -0.78 115.31 120.21 1w4x h LEU 235 Ca 0.10 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1w4x h LEU 235 Cb -0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1w4x h LEU 235 CO -0.04 0.86 0.52 0.00 -0.34 0.00 0.00 178.44 179.44 1w4x h ALA 236 N 1.10 1.07 -0.56 1.25 0.00 -1.10 -0.33 119.26 120.69 1w4x h ALA 236 Ca 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1w4x h ALA 236 Cb 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1w4x h ALA 236 CO -0.01 0.52 0.23 -0.44 0.00 0.00 0.00 179.25 179.55 1w4x h ASP 237 N 1.15 0.77 -0.77 0.00 3.32 -1.01 -2.95 116.42 116.94 1w4x h ASP 237 Ca 0.30 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1w4x h ASP 237 Cb -0.07 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1w4x h ASP 237 CO -0.06 0.72 0.28 0.25 -1.72 0.00 0.00 179.24 178.71 1w4x h LEU 238 N 0.77 1.09 -2.02 1.55 5.85 -0.76 -2.79 115.31 119.00 1w4x h LEU 238 Ca 0.19 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1w4x h LEU 238 Cb 0.19 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1w4x h LEU 238 CO -0.02 0.98 0.01 0.11 -0.34 0.00 0.00 178.44 179.18 1w4x h LYS 239 N 1.13 0.00 0.00 1.25 1.57 -0.90 0.11 116.57 119.73 1w4x h LYS 239 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1w4x h LYS 239 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1w4x h LYS 239 CO -0.02 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.73 1w4x h LYS 240 N 0.00 0.00 0.00 3.15 1.57 -1.41 -3.25 116.57 116.63 1w4x h LYS 240 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1w4x h LYS 240 Cb 0.02 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.00 1w4x h LYS 240 CO -0.00 0.00 -0.94 2.89 -0.57 0.00 0.00 179.45 180.83 1w4x n ARG 241 N -2.97 0.00 -0.16 3.15 1.85 -0.39 -4.92 116.66 113.22 1w4x n ARG 241 Ca -0.01 -1.83 0.00 0.00 -1.00 0.00 0.00 57.85 55.01 1w4x n ARG 241 Cb 0.18 -0.04 0.26 0.00 -1.05 0.00 0.00 32.46 31.81 1w4x n ARG 241 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1w4x h TYR 242 N 0.84 0.85 -0.57 2.89 5.03 -1.08 -1.54 116.97 123.40 1w4x h TYR 242 Ca -0.22 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.09 1w4x h TYR 242 Cb 1.82 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 39.79 1w4x h TYR 242 CO 0.15 0.58 0.36 0.00 -1.32 0.00 0.00 178.16 177.93 1w4x h ALA 243 N 1.52 0.72 -0.66 1.82 0.00 -1.88 0.25 119.26 121.05 1w4x h ALA 243 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1w4x h ALA 243 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1w4x h ALA 243 CO -0.04 0.19 0.32 1.49 0.00 0.00 0.00 179.25 181.21 1w4x h GLU 244 N 0.77 0.94 -0.28 0.00 4.81 -1.81 -1.90 114.58 117.12 1w4x h GLU 244 Ca 0.21 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1w4x h GLU 244 Cb -0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1w4x h GLU 244 CO -0.04 0.75 0.10 0.35 -0.73 0.00 0.00 179.01 179.43 1w4x h PHE 245 N 0.91 0.43 0.00 0.92 3.57 -0.97 -2.21 116.94 119.58 1w4x h PHE 245 Ca 0.23 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1w4x h PHE 245 Cb 0.11 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1w4x h PHE 245 CO 0.00 0.45 -0.23 -0.09 -2.23 0.00 0.00 178.31 176.21 1w4x h ARG 246 N 0.29 0.00 -0.18 1.11 9.65 -0.86 -2.28 114.38 122.10 1w4x h ARG 246 Ca 0.09 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.84 1w4x h ARG 246 Cb 0.21 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1w4x h ARG 246 CO -0.01 0.23 -0.44 1.49 2.80 0.00 0.00 179.97 184.05 1w4x h GLU 247 N 0.00 0.44 -0.65 0.20 4.57 -1.23 -2.02 114.58 115.90 1w4x h GLU 247 Ca -0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1w4x h GLU 247 Cb 0.93 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1w4x h GLU 247 CO 0.03 0.79 0.37 0.93 -1.18 0.00 0.00 179.01 179.96 1w4x h GLU 248 N 0.36 0.89 -0.47 1.92 5.08 -0.95 -2.87 114.58 118.54 1w4x h GLU 248 Ca 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1w4x h GLU 248 Cb 0.91 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1w4x h GLU 248 CO 0.08 0.66 0.16 0.77 -1.00 0.00 0.00 179.01 179.67 1w4x h SER 249 N 0.88 0.63 0.78 1.42 0.02 -1.17 -2.36 113.55 113.75 1w4x h SER 249 Ca 0.23 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1w4x h SER 249 Cb 0.01 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1w4x h SER 249 CO -0.04 0.59 -0.03 0.03 -1.14 0.00 0.00 176.83 176.24 1w4x h ARG 250 N 0.68 0.00 -1.42 3.45 3.08 -1.15 -3.17 114.38 115.84 1w4x h ARG 250 Ca 0.16 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.51 1w4x h ARG 250 Cb 0.18 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.93 1w4x h ARG 250 CO -0.01 0.03 0.77 0.09 -1.07 0.00 0.00 179.97 179.78 1w4x n ASN 251 N -3.16 7.31 -4.20 7.04 3.02 -0.89 -4.33 115.26 120.06 1w4x n ASN 251 Ca -0.00 -3.80 -0.12 0.00 -0.03 0.00 0.00 54.58 50.63 1w4x n ASN 251 Cb 0.27 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1w4x n ASN 251 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1w4x s THR 252 N -4.96 0.35 0.32 3.41 -4.23 -1.20 -4.95 115.64 104.39 1w4x s THR 252 Ca 0.58 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1w4x s THR 252 Cb 0.47 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 72.27 1w4x s THR 252 CO -0.18 -0.43 1.77 -0.65 -0.54 0.00 0.00 174.62 174.58 1w4x h PRO 253 N 2.77 0.27 -0.01 3.99 0.11 -1.91 -1.72 132.00 135.50 1w4x h PRO 253 Ca -0.36 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1w4x h PRO 253 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1w4x h PRO 253 CO 0.61 0.55 -0.11 0.41 -0.21 0.00 0.00 178.00 179.25 1w4x n GLY 254 N -0.42 -0.33 2.09 -0.55 0.00 -1.26 0.15 105.19 104.87 1w4x n GLY 254 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1w4x n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4x n GLY 255 N 0.69 0.58 3.26 -0.02 0.00 -1.25 -0.86 105.19 107.59 1w4x n GLY 255 Ca 0.04 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1w4x n GLY 255 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w4x s THR 256 N -2.08 0.24 0.00 2.61 -4.23 -1.26 -4.69 115.64 106.23 1w4x s THR 256 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1w4x s THR 256 Cb 0.00 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1w4x s THR 256 CO 0.00 0.00 0.87 1.41 -0.54 0.00 0.00 174.62 176.36 1w4x n HIS 257 N -0.38 0.00 -1.91 3.99 -0.00 -1.26 -4.84 115.22 110.82 1w4x n HIS 257 Ca 0.01 -0.44 -0.42 0.00 -0.00 0.00 0.00 57.72 56.87 1w4x n HIS 257 Cb 0.66 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.38 1w4x n HIS 257 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1w4x s ARG 258 N 0.18 4.18 0.13 -0.41 3.52 -1.26 -4.94 118.95 120.34 1w4x s ARG 258 Ca 0.00 2.32 -0.34 0.00 -0.13 0.00 0.00 55.73 57.59 1w4x s ARG 258 Cb 0.00 -3.87 -0.13 0.00 -1.56 0.00 0.00 34.95 29.39 1w4x s ARG 258 CO 0.00 -0.82 1.63 0.98 -0.81 0.00 0.00 175.30 176.28 1w4x n TYR 259 N 6.61 2.31 -3.08 5.12 9.36 -1.26 -4.95 117.16 131.27 1w4x n TYR 259 Ca 0.17 0.21 -0.44 0.00 3.32 0.00 0.00 57.90 61.17 1w4x n TYR 259 Cb 0.42 -2.57 -0.06 0.00 -0.63 0.00 0.00 39.34 36.50 1w4x n TYR 259 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1w4x s GLN 260 N 1.41 3.16 -0.08 2.98 -1.52 -1.26 -4.68 119.66 119.67 1w4x s GLN 260 Ca 0.81 -0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 53.14 1w4x s GLN 260 Cb -0.67 -4.10 -0.05 0.00 -0.22 0.00 0.00 33.01 27.97 1w4x s GLN 260 CO 0.40 -1.31 1.62 0.20 -0.25 0.00 0.00 175.29 175.94 1w4x s GLY 261 N 2.81 1.51 0.37 3.09 0.00 -0.02 -4.91 107.32 110.17 1w4x s GLY 261 Ca 0.18 0.86 0.12 0.00 0.00 0.00 0.00 44.72 45.88 1w4x s GLY 261 CO 0.13 3.00 1.82 -2.55 0.00 0.00 0.00 173.10 175.50 1w4x h PRO 262 N 9.57 0.03 -7.08 2.90 0.11 -1.88 -2.85 132.00 132.81 1w4x h PRO 262 Ca -0.38 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.23 1w4x h PRO 262 Cb 1.17 -0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.32 1w4x h PRO 262 CO 0.96 0.39 0.20 0.15 -0.21 0.00 0.00 178.00 179.49 1w4x s LYS 263 N -4.22 3.43 0.12 1.05 1.02 -1.26 -4.66 119.74 115.22 1w4x s LYS 263 Ca -0.03 0.29 -0.26 0.00 0.02 0.00 0.00 55.97 56.00 1w4x s LYS 263 Cb 0.14 -2.28 -0.07 0.00 -0.52 0.00 0.00 37.83 35.10 1w4x s LYS 263 CO 0.73 -0.40 0.80 0.45 -0.92 0.00 0.00 175.35 176.01 1w4x s SER 264 N -4.16 7.35 0.62 2.83 0.15 -1.26 -1.30 113.70 117.92 1w4x s SER 264 Ca 0.50 1.61 0.41 0.00 0.70 0.00 0.00 55.95 59.17 1w4x s SER 264 Cb -0.10 -2.50 2.10 0.00 -1.71 0.00 0.00 66.02 63.81 1w4x s SER 264 CO 0.47 0.12 2.24 0.00 1.20 0.00 0.00 173.24 177.27 1w4x h ALA 265 N 4.87 1.00 0.00 5.45 0.00 -1.91 -2.26 119.26 126.41 1w4x h ALA 265 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1w4x h ALA 265 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1w4x h ALA 265 CO 0.68 0.00 -0.72 -0.07 0.00 0.00 0.00 179.25 179.14 1w4x h LEU 266 N 0.00 0.00 0.00 0.00 3.38 -1.92 -3.36 115.31 113.40 1w4x h LEU 266 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1w4x h LEU 266 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1w4x h LEU 266 CO 0.00 0.08 -0.45 -1.84 0.09 0.00 0.00 178.44 176.32 1w4x n GLU 267 N -2.30 0.10 -3.57 1.13 0.28 -0.85 -4.91 120.64 110.52 1w4x n GLU 267 Ca 0.02 0.03 -0.25 0.00 -0.16 0.00 0.00 57.16 56.81 1w4x n GLU 267 Cb 0.47 -1.57 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 1w4x n GLU 267 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1w4x s VAL 268 N -3.05 5.15 0.60 3.84 -7.23 -1.25 -5.05 120.40 113.42 1w4x s VAL 268 Ca 0.10 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.62 1w4x s VAL 268 Cb 0.16 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1w4x s VAL 268 CO 0.68 -0.39 1.12 -0.94 -0.31 0.00 0.00 175.10 175.26 1w4x s SER 269 N -3.69 5.41 0.50 4.85 1.04 -1.26 -4.84 113.70 115.70 1w4x s SER 269 Ca 0.39 2.10 0.36 0.00 0.48 0.00 0.00 55.95 59.27 1w4x s SER 269 Cb -0.10 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 64.96 1w4x s SER 269 CO 0.32 -1.43 1.68 0.44 0.98 0.00 0.00 173.24 175.24 1w4x h ASP 270 N 0.63 0.13 -0.07 7.02 3.32 -1.98 -1.16 116.42 124.32 1w4x h ASP 270 Ca -0.48 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1w4x h ASP 270 Cb 1.26 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1w4x h ASP 270 CO 0.55 -0.04 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.78 1w4x h GLU 271 N 0.08 0.24 -0.33 3.56 4.57 -2.00 -2.19 114.58 118.51 1w4x h GLU 271 Ca 0.75 -0.16 -0.16 0.00 -1.18 0.00 0.00 59.36 58.60 1w4x h GLU 271 Cb 2.66 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 31.27 1w4x h GLU 271 CO -0.17 0.77 -0.41 1.49 -1.18 0.00 0.00 179.01 179.51 1w4x h GLU 272 N -0.26 0.86 -0.19 1.92 4.81 -1.64 -1.92 114.58 118.16 1w4x h GLU 272 Ca -0.00 -0.49 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 1w4x h GLU 272 Cb 0.78 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 1w4x h GLU 272 CO 0.04 1.13 -0.22 1.25 -0.73 0.00 0.00 179.01 180.47 1w4x h LEU 273 N 0.65 -0.69 -0.67 1.64 5.85 -1.31 0.16 115.31 120.94 1w4x h LEU 273 Ca 0.04 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1w4x h LEU 273 Cb 1.01 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1w4x h LEU 273 CO 0.10 -0.26 0.40 0.58 -0.34 0.00 0.00 178.44 178.92 1w4x h VAL 274 N -0.25 1.20 -0.36 1.05 2.07 -1.35 0.18 116.25 118.79 1w4x h VAL 274 Ca 0.12 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1w4x h VAL 274 Cb 0.43 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1w4x h VAL 274 CO -0.33 0.21 0.19 -0.08 0.02 0.00 0.00 177.57 177.57 1w4x h GLU 275 N 0.92 0.51 0.15 1.57 4.81 -0.90 0.61 114.58 122.24 1w4x h GLU 275 Ca 0.24 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1w4x h GLU 275 Cb -0.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1w4x h GLU 275 CO -0.04 0.43 -0.07 1.15 -0.73 0.00 0.00 179.01 179.74 1w4x h THR 276 N 0.45 0.99 -0.03 0.32 2.02 -0.45 -2.70 112.91 113.51 1w4x h THR 276 Ca 0.13 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1w4x h THR 276 Cb 0.07 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1w4x h THR 276 CO -0.02 0.19 -0.19 -0.07 0.37 0.00 0.00 175.52 175.80 1w4x h LEU 277 N -0.62 0.04 -0.64 2.58 3.38 -0.64 -2.40 115.31 117.01 1w4x h LEU 277 Ca -0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1w4x h LEU 277 Cb 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1w4x h LEU 277 CO 0.03 0.24 -0.29 -0.08 0.09 0.00 0.00 178.44 178.44 1w4x h GLU 278 N 0.04 0.76 -0.60 1.13 4.57 -0.89 -0.80 114.58 118.79 1w4x h GLU 278 Ca 0.01 -0.34 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 1w4x h GLU 278 Cb 0.37 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1w4x h GLU 278 CO 0.03 0.95 0.36 -0.09 -1.18 0.00 0.00 179.01 179.07 1w4x h ARG 279 N 0.65 0.67 -0.55 1.92 2.43 -1.09 -0.76 114.38 117.65 1w4x h ARG 279 Ca 0.08 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1w4x h ARG 279 Cb 0.81 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1w4x h ARG 279 CO 0.07 0.45 0.13 1.88 -1.51 0.00 0.00 179.97 180.98 1w4x h TYR 280 N 0.69 0.92 -0.86 2.20 -1.99 -1.26 -1.13 116.97 115.55 1w4x h TYR 280 Ca 0.25 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1w4x h TYR 280 Cb 0.07 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.49 1w4x h TYR 280 CO -0.06 0.80 0.52 2.35 -0.00 0.00 0.00 178.16 181.77 1w4x h TRP 281 N 0.77 1.13 0.03 4.88 2.91 -0.83 0.11 115.95 124.97 1w4x h TRP 281 Ca 0.17 -0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.97 1w4x h TRP 281 Cb 0.35 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.61 1w4x h TRP 281 CO 0.02 0.75 -1.01 1.96 -1.03 0.00 0.00 178.44 179.13 1w4x h GLN 282 N 1.19 0.12 -0.21 2.65 1.08 -0.97 -3.26 115.11 115.71 1w4x h GLN 282 Ca 0.31 -0.18 -0.20 0.00 -1.45 0.00 0.00 58.65 57.13 1w4x h GLN 282 Cb -0.05 0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1w4x h GLN 282 CO -0.06 1.03 -0.66 0.93 -0.95 0.00 0.00 178.83 179.12 1w4x h GLU 283 N 0.05 0.81 0.00 1.46 5.08 -0.94 -3.48 114.58 117.56 1w4x h GLU 283 Ca -0.05 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1w4x h GLU 283 Cb 1.73 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1w4x h GLU 283 CO 0.15 1.21 0.00 0.41 -1.00 0.00 0.00 179.01 179.78 1w4x n GLY 284 N 0.56 -1.41 0.00 -3.84 0.00 0.38 -4.74 105.19 96.14 1w4x n GLY 284 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1w4x n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4x n GLY 285 N -1.56 -0.20 0.19 -0.02 0.00 -0.51 -4.63 105.19 98.46 1w4x n GLY 285 Ca 0.00 -1.87 0.15 0.00 0.00 0.00 0.00 46.02 44.30 1w4x n GLY 285 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w4x n PRO 286 N -0.28 1.26 0.22 1.61 -0.04 -1.26 -4.18 135.00 132.33 1w4x n PRO 286 Ca 0.00 -0.37 0.15 0.00 -0.04 0.00 0.00 63.50 63.24 1w4x n PRO 286 Cb 0.00 -1.48 0.80 0.00 -0.04 0.00 0.00 33.50 32.78 1w4x n PRO 286 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1w4x h ASP 287 N 0.89 0.00 -0.26 3.54 3.32 -1.96 -1.62 116.42 120.34 1w4x h ASP 287 Ca 0.00 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1w4x h ASP 287 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1w4x h ASP 287 CO 0.00 0.00 0.24 -0.29 -1.72 0.00 0.00 179.24 177.47 1w4x h ILE 288 N 0.00 0.59 -0.05 0.35 2.10 -1.91 -1.98 117.51 116.62 1w4x h ILE 288 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.95 1w4x h ILE 288 Cb 0.04 0.82 -0.00 0.00 -1.09 0.00 0.00 36.82 36.59 1w4x h ILE 288 CO 0.00 0.00 0.09 -0.07 -1.08 0.00 0.00 178.15 177.09 1w4x h LEU 289 N 0.00 0.00 -3.11 2.19 3.38 -1.64 -1.33 115.31 114.80 1w4x h LEU 289 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1w4x h LEU 289 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1w4x h LEU 289 CO -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.28 1w4x n ALA 290 N -2.19 3.46 -0.28 1.53 0.00 -0.74 -4.68 120.51 117.61 1w4x n ALA 290 Ca -0.02 -3.04 -0.01 0.00 0.00 0.00 0.00 53.44 50.37 1w4x n ALA 290 Cb 0.17 -0.48 0.17 0.00 0.00 0.00 0.00 19.45 19.31 1w4x n ALA 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w4x h ALA 291 N 0.85 1.32 -2.74 0.00 0.00 -1.29 -0.00 119.26 117.40 1w4x h ALA 291 Ca 0.05 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.51 1w4x h ALA 291 Cb 1.20 -0.34 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 1w4x h ALA 291 CO 0.11 0.59 -0.74 0.71 0.00 0.00 0.00 179.25 179.92 1w4x s TYR 292 N -5.86 1.24 -0.21 0.00 2.02 -1.26 -4.22 117.35 109.06 1w4x s TYR 292 Ca -0.12 -0.62 0.29 0.00 -0.37 0.00 0.00 57.07 56.25 1w4x s TYR 292 Cb 0.17 -0.65 1.04 0.00 -0.40 0.00 0.00 41.96 42.12 1w4x s TYR 292 CO 0.81 0.08 1.83 0.07 -1.57 0.00 0.00 175.55 176.77 1w4x h ARG 293 N 3.45 0.00 -0.12 -0.62 0.11 -0.94 -3.30 114.38 112.96 1w4x h ARG 293 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1w4x h ARG 293 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1w4x h ARG 293 CO 0.53 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.20 1w4x n ASP 294 N -2.82 2.78 -0.32 0.08 5.75 -1.26 -4.67 116.55 116.08 1w4x n ASP 294 Ca 0.02 -2.70 0.03 0.00 -0.01 0.00 0.00 54.79 52.13 1w4x n ASP 294 Cb 0.34 -0.35 0.22 0.00 -1.03 0.00 0.00 41.12 40.30 1w4x n ASP 294 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1w4x h ILE 295 N 0.77 1.08 -0.53 2.12 2.04 -1.87 -1.30 117.51 119.81 1w4x h ILE 295 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1w4x h ILE 295 Cb 0.99 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1w4x h ILE 295 CO 0.06 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.59 1w4x n LEU 296 N -4.49 3.52 -0.06 1.44 4.77 -1.26 -3.87 117.00 117.05 1w4x n LEU 296 Ca 0.14 -1.84 -0.07 0.00 -0.03 0.00 0.00 56.01 54.20 1w4x n LEU 296 Cb 0.19 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1w4x n LEU 296 CO 0.33 0.85 -0.91 0.54 -1.33 0.00 0.00 177.39 176.87 1w4x n ARG 297 N 1.31 1.37 -4.58 3.23 1.74 -0.92 0.51 116.66 119.31 1w4x n ARG 297 Ca 0.20 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 1w4x n ARG 297 Cb 0.56 -1.28 -0.16 0.00 -1.02 0.00 0.00 32.46 30.55 1w4x n ARG 297 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1w4x s ASP 298 N -4.81 3.23 0.22 0.55 3.68 -0.54 -4.42 116.67 114.58 1w4x s ASP 298 Ca -0.12 -0.58 -0.07 0.00 2.13 0.00 0.00 52.55 53.91 1w4x s ASP 298 Cb 0.04 -1.47 0.31 0.00 -1.45 0.00 0.00 42.92 40.34 1w4x s ASP 298 CO 0.39 0.07 1.79 -0.09 0.13 0.00 0.00 175.17 177.47 1w4x h ARG 299 N 7.39 0.64 0.02 4.34 2.43 -1.90 -0.55 114.38 126.74 1w4x h ARG 299 Ca -0.34 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.56 1w4x h ARG 299 Cb 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1w4x h ARG 299 CO 0.57 0.42 -0.98 -0.44 -1.51 0.00 0.00 179.97 178.02 1w4x h ASP 300 N 0.65 0.52 -0.62 -3.80 3.32 -1.96 -2.16 116.42 112.38 1w4x h ASP 300 Ca 0.34 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1w4x h ASP 300 Cb 0.30 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1w4x h ASP 300 CO -0.24 1.24 0.32 0.00 -1.72 0.00 0.00 179.24 178.85 1w4x h ALA 301 N 0.72 0.80 0.10 3.45 0.00 -1.75 -1.98 119.26 120.60 1w4x h ALA 301 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1w4x h ALA 301 Cb 1.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1w4x h ALA 301 CO 0.17 0.34 -0.05 -0.97 0.00 0.00 0.00 179.25 178.74 1w4x h ASN 302 N 0.85 -0.11 -0.69 0.00 -0.73 -1.12 -2.92 115.58 110.86 1w4x h ASN 302 Ca 0.22 -0.12 0.08 0.00 1.87 0.00 0.00 56.30 58.35 1w4x h ASN 302 Cb 0.08 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 1w4x h ASN 302 CO -0.03 0.05 0.45 -0.08 -0.37 0.00 0.00 177.43 177.46 1w4x h GLU 303 N -0.27 0.61 -0.32 6.67 4.57 -1.29 0.16 114.58 124.71 1w4x h GLU 303 Ca -0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1w4x h GLU 303 Cb 0.22 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1w4x h GLU 303 CO 0.02 0.40 0.15 -0.09 -1.18 0.00 0.00 179.01 178.32 1w4x h ARG 304 N 0.63 0.47 -0.42 1.92 2.43 -1.28 0.16 114.38 118.29 1w4x h ARG 304 Ca 0.31 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1w4x h ARG 304 Cb 0.38 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1w4x h ARG 304 CO -0.10 0.44 -0.24 0.28 -1.51 0.00 0.00 179.97 178.84 1w4x h VAL 305 N 0.38 1.28 -0.63 0.20 2.07 -1.18 -2.99 116.25 115.38 1w4x h VAL 305 Ca 0.11 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1w4x h VAL 305 Cb 0.13 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1w4x h VAL 305 CO -0.01 0.47 0.26 0.00 0.02 0.00 0.00 177.57 178.31 1w4x h ALA 306 N 0.82 0.83 -0.52 1.67 0.00 -0.51 -2.50 119.26 119.05 1w4x h ALA 306 Ca 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1w4x h ALA 306 Cb 0.81 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1w4x h ALA 306 CO 0.07 -0.15 0.27 1.49 0.00 0.00 0.00 179.25 180.93 1w4x h GLU 307 N 0.46 0.74 -0.95 0.00 4.57 -0.64 -0.79 114.58 117.98 1w4x h GLU 307 Ca 0.31 -0.10 0.11 0.00 -1.18 0.00 0.00 59.36 58.51 1w4x h GLU 307 Cb 0.36 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.73 1w4x h GLU 307 CO -0.29 0.59 0.58 0.35 -1.18 0.00 0.00 179.01 179.06 1w4x h PHE 308 N 0.69 1.05 -0.17 0.92 3.57 -1.33 -0.62 116.94 121.06 1w4x h PHE 308 Ca 0.18 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1w4x h PHE 308 Cb 0.08 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1w4x h PHE 308 CO -0.01 0.42 -0.31 0.82 -2.23 0.00 0.00 178.31 177.00 1w4x h ILE 309 N 0.93 1.35 -0.86 1.41 2.04 -0.99 -1.73 117.51 119.67 1w4x h ILE 309 Ca 0.46 -1.55 0.17 0.00 1.00 0.00 0.00 64.86 64.95 1w4x h ILE 309 Cb 0.44 1.94 -0.11 0.00 -0.74 0.00 0.00 36.82 38.36 1w4x h ILE 309 CO -0.26 0.47 0.41 0.03 0.00 0.00 0.00 178.15 178.80 1w4x h ARG 310 N 0.14 0.51 0.00 2.37 3.08 -0.82 -0.77 114.38 118.88 1w4x h ARG 310 Ca 0.01 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1w4x h ARG 310 Cb 0.90 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1w4x h ARG 310 CO 0.07 0.34 -0.48 -0.91 -1.07 0.00 0.00 179.97 177.92 1w4x h ASN 311 N 0.52 0.00 -0.27 7.04 2.35 -0.87 -2.18 115.58 122.18 1w4x h ASN 311 Ca 0.49 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.16 1w4x h ASN 311 Cb 0.80 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 1w4x h ASN 311 CO -0.43 0.48 -0.09 0.11 -1.65 0.00 0.00 177.43 175.85 1w4x h LYS 312 N 0.00 0.66 0.05 0.81 1.79 -0.25 -0.98 116.57 118.64 1w4x h LYS 312 Ca -0.00 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1w4x h LYS 312 Cb 0.87 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1w4x h LYS 312 CO 0.06 0.74 -0.02 0.82 -1.08 0.00 0.00 179.45 179.97 1w4x h ILE 313 N 0.61 1.16 -0.94 1.86 2.04 -0.87 -1.79 117.51 119.59 1w4x h ILE 313 Ca 0.11 -0.67 0.14 0.00 1.00 0.00 0.00 64.86 65.44 1w4x h ILE 313 Cb 0.52 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 1w4x h ILE 313 CO 0.03 0.17 0.55 0.03 0.00 0.00 0.00 178.15 178.93 1w4x h ARG 314 N -0.36 0.78 -0.11 2.37 3.08 -1.39 -1.69 114.38 117.06 1w4x h ARG 314 Ca -0.01 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1w4x h ARG 314 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1w4x h ARG 314 CO 0.01 0.52 -0.33 -0.97 -1.07 0.00 0.00 179.97 178.13 1w4x h ASN 315 N 0.81 0.22 0.11 7.04 -0.73 -0.99 -3.32 115.58 118.73 1w4x h ASN 315 Ca 0.49 -0.08 -0.24 0.00 1.87 0.00 0.00 56.30 58.35 1w4x h ASN 315 Cb 0.62 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1w4x h ASN 315 CO -0.32 0.55 -1.19 0.74 -0.37 0.00 0.00 177.43 176.84 1w4x h THR 316 N 0.19 1.19 -3.44 -3.57 2.02 -0.72 -3.44 112.91 105.14 1w4x h THR 316 Ca 0.03 -2.43 -0.60 0.00 0.77 0.00 0.00 66.41 64.17 1w4x h THR 316 Cb 0.68 2.86 -0.10 0.00 -1.74 0.00 0.00 68.15 69.84 1w4x h THR 316 CO 0.05 0.69 0.40 -0.69 0.37 0.00 0.00 175.52 176.34 1w4x s VAL 317 N -2.45 4.78 0.12 3.16 1.01 -0.69 -4.82 120.40 121.50 1w4x s VAL 317 Ca -0.18 1.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.76 1w4x s VAL 317 Cb 0.03 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1w4x s VAL 317 CO 0.78 -0.28 1.76 0.03 0.00 0.00 0.00 175.10 177.39 1w4x h ARG 318 N 8.16 0.18 -6.42 2.72 3.08 -1.86 -3.41 114.38 116.84 1w4x h ARG 318 Ca -0.24 -0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 1w4x h ARG 318 Cb 1.10 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 1w4x h ARG 318 CO 0.89 0.12 1.05 0.34 -1.07 0.00 0.00 179.97 181.30 1w4x s ASP 319 N -5.32 6.44 0.40 7.04 -1.08 -1.26 -4.91 116.67 117.99 1w4x s ASP 319 Ca -0.13 1.09 0.15 0.00 -0.52 0.00 0.00 52.55 53.13 1w4x s ASP 319 Cb 0.08 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.86 1w4x s ASP 319 CO 0.68 -1.30 1.88 -0.65 0.52 0.00 0.00 175.17 176.31 1w4x h PRO 320 N 10.31 0.00 -0.02 4.34 0.11 -1.93 0.11 132.00 144.92 1w4x h PRO 320 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1w4x h PRO 320 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1w4x h PRO 320 CO 1.05 0.30 -0.00 1.49 -0.21 0.00 0.00 178.00 180.63 1w4x h GLU 321 N 0.00 0.03 -0.38 1.05 4.81 -1.95 -0.95 114.58 117.19 1w4x h GLU 321 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1w4x h GLU 321 Cb 0.56 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1w4x h GLU 321 CO 0.04 0.39 0.25 0.28 -0.73 0.00 0.00 179.01 179.24 1w4x h VAL 322 N -0.33 1.11 -0.49 0.32 2.07 -1.88 -2.68 116.25 114.37 1w4x h VAL 322 Ca 0.00 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1w4x h VAL 322 Cb 0.38 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1w4x h VAL 322 CO 0.00 0.11 0.16 0.00 0.02 0.00 0.00 177.57 177.85 1w4x h ALA 323 N 1.13 0.59 -0.43 1.67 0.00 -0.74 -1.99 119.26 119.49 1w4x h ALA 323 Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1w4x h ALA 323 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1w4x h ALA 323 CO -0.03 -0.24 0.25 1.49 0.00 0.00 0.00 179.25 180.72 1w4x h GLU 324 N 0.32 0.57 0.00 0.00 4.57 -0.94 -1.93 114.58 117.17 1w4x h GLU 324 Ca 0.24 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1w4x h GLU 324 Cb 0.27 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1w4x h GLU 324 CO -0.26 0.41 -0.18 0.00 -1.18 0.00 0.00 179.01 177.80 1w4x h ARG 325 N 0.59 0.00 0.00 1.92 3.08 -1.04 -3.01 114.38 115.91 1w4x h ARG 325 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1w4x h ARG 325 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1w4x h ARG 325 CO -0.03 0.18 -0.39 1.28 -1.07 0.00 0.00 179.97 179.94 1w4x n LEU 326 N -3.43 0.40 -4.66 3.04 4.77 -0.74 -4.81 117.00 111.58 1w4x n LEU 326 Ca -0.00 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1w4x n LEU 326 Cb 0.36 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1w4x n LEU 326 CO 0.32 0.08 1.06 -0.69 -1.33 0.00 0.00 177.39 176.82 1w4x s VAL 327 N -3.01 4.34 0.22 4.08 1.01 -1.14 -4.71 120.40 121.18 1w4x s VAL 327 Ca 0.11 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1w4x s VAL 327 Cb 0.17 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1w4x s VAL 327 CO 0.66 -0.17 1.38 -2.84 0.00 0.00 0.00 175.10 174.12 1w4x s PRO 328 N 3.50 4.33 0.01 2.72 0.02 -1.26 -4.86 135.00 139.46 1w4x s PRO 328 Ca 0.53 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.73 1w4x s PRO 328 Cb -0.20 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1w4x s PRO 328 CO 0.14 -0.34 -0.03 0.15 -0.33 0.00 0.00 177.00 176.59 1w4x s LYS 329 N -0.17 0.24 0.00 5.54 1.02 -1.26 -4.91 119.74 120.20 1w4x s LYS 329 Ca 0.58 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1w4x s LYS 329 Cb -0.39 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1w4x s LYS 329 CO 0.40 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1w4x n GLY 330 N 2.30 3.36 3.24 -3.33 0.00 -1.26 -5.03 105.19 104.47 1w4x n GLY 330 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1w4x n GLY 330 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1w4x s TYR 331 N -2.87 1.40 0.72 1.61 -0.85 -1.26 -5.14 117.35 110.97 1w4x s TYR 331 Ca 0.00 -0.56 -0.11 0.00 -0.52 0.00 0.00 57.07 55.88 1w4x s TYR 331 Cb 0.00 -0.73 0.03 0.00 0.38 0.00 0.00 41.96 41.64 1w4x s TYR 331 CO 0.00 0.14 1.07 -1.25 -1.52 0.00 0.00 175.55 173.99 1w4x s PRO 332 N -2.69 2.69 -0.09 -3.49 0.04 -1.26 -5.03 135.00 125.17 1w4x s PRO 332 Ca 0.09 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 1w4x s PRO 332 Cb -0.05 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1w4x s PRO 332 CO 0.03 -1.28 0.37 0.12 0.04 0.00 0.00 177.00 176.27 1w4x s PHE 333 N -3.01 3.57 0.00 0.56 5.36 -1.26 -4.52 117.98 118.68 1w4x s PHE 333 Ca 0.59 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1w4x s PHE 333 Cb -0.15 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.18 1w4x s PHE 333 CO 0.55 0.39 0.00 0.41 -1.46 0.00 0.00 175.22 175.11 1w4x n GLY 334 N 2.74 0.39 0.33 13.12 0.00 -1.26 -4.88 105.19 115.63 1w4x n GLY 334 Ca -0.12 -1.06 0.15 0.00 0.00 0.00 0.00 46.02 44.99 1w4x n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w4x n THR 335 N -3.05 0.00 -4.44 2.61 -2.24 -1.26 -4.83 114.28 101.06 1w4x n THR 335 Ca 0.00 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1w4x n THR 335 Cb 0.04 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1w4x n THR 335 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1w4x s LYS 336 N -2.04 1.68 0.16 -0.78 1.02 -1.26 -4.94 119.74 113.59 1w4x s LYS 336 Ca 0.40 -1.96 -0.34 0.00 0.02 0.00 0.00 55.97 54.09 1w4x s LYS 336 Cb 0.21 -0.69 -0.14 0.00 -0.52 0.00 0.00 37.83 36.69 1w4x s LYS 336 CO 0.36 -0.28 1.51 -2.13 -0.92 0.00 0.00 175.35 173.88 1w4x n ARG 337 N -0.71 1.97 -2.37 1.68 0.63 -1.26 -4.88 116.66 111.72 1w4x n ARG 337 Ca -0.03 0.71 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 1w4x n ARG 337 Cb 0.66 -2.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.11 1w4x n ARG 337 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1w4x s LEU 338 N 0.72 4.31 -0.07 6.15 2.96 -1.26 -4.99 118.68 126.50 1w4x s LEU 338 Ca 0.78 1.96 -0.30 0.00 -0.22 0.00 0.00 54.13 56.35 1w4x s LEU 338 Cb -0.72 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.39 1w4x s LEU 338 CO 0.41 -0.61 1.05 -0.63 -1.32 0.00 0.00 176.35 175.25 1w4x s ILE 339 N 2.03 4.66 -0.10 6.68 1.01 -1.26 -4.93 121.20 129.29 1w4x s ILE 339 Ca 0.59 1.93 -0.21 0.00 0.00 0.00 0.00 60.65 62.95 1w4x s ILE 339 Cb -0.28 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1w4x s ILE 339 CO 0.25 0.04 0.62 -0.76 0.00 0.00 0.00 174.94 175.09 1w4x s LEU 340 N 1.80 4.28 0.11 2.97 1.43 -1.26 -1.79 118.68 126.22 1w4x s LEU 340 Ca 0.51 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1w4x s LEU 340 Cb -0.21 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1w4x s LEU 340 CO 0.21 -0.10 -0.06 -1.83 0.23 0.00 0.00 176.35 174.80 1w4x s GLU 341 N 0.89 2.28 -0.41 1.70 4.04 0.98 -4.80 118.70 123.38 1w4x s GLU 341 Ca 0.33 -0.98 0.03 0.00 0.04 0.00 0.00 54.97 54.39 1w4x s GLU 341 Cb -0.17 -2.38 0.12 0.00 0.02 0.00 0.00 34.13 31.72 1w4x s GLU 341 CO 0.15 0.51 0.16 0.42 -1.84 0.00 0.00 175.26 174.66 1w4x s ILE 342 N -1.29 1.98 -1.56 1.83 1.01 -1.26 -1.31 121.20 120.60 1w4x s ILE 342 Ca 0.23 -2.53 -0.05 0.00 0.00 0.00 0.00 60.65 58.30 1w4x s ILE 342 Cb -0.11 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.94 1w4x s ILE 342 CO 0.16 -0.73 0.59 0.47 0.00 0.00 0.00 174.94 175.42 1w4x n ASP 343 N 3.86 -6.05 -0.03 3.58 8.00 -1.26 -4.85 116.55 119.81 1w4x n ASP 343 Ca 0.04 -0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.10 1w4x n ASP 343 Cb 0.37 -4.89 -0.09 0.00 -0.02 0.00 0.00 41.12 36.49 1w4x n ASP 343 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1w4x h TYR 344 N -1.34 0.58 -0.22 1.24 3.20 -1.88 -1.60 116.97 116.96 1w4x h TYR 344 Ca -0.53 -0.26 -0.08 0.00 3.14 0.00 0.00 58.73 61.00 1w4x h TYR 344 Cb 1.36 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1w4x h TYR 344 CO 0.54 1.02 -0.18 1.88 -1.64 0.00 0.00 178.16 179.78 1w4x h TYR 345 N -0.02 0.61 -0.82 -3.82 0.05 -1.97 -2.95 116.97 108.05 1w4x h TYR 345 Ca -0.03 -0.17 0.13 0.00 0.05 0.00 0.00 58.73 58.71 1w4x h TYR 345 Cb 1.07 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.62 1w4x h TYR 345 CO 0.12 0.83 0.53 0.93 -1.05 0.00 0.00 178.16 179.53 1w4x h GLU 346 N 0.20 0.61 -1.01 4.88 3.07 -1.88 -1.98 114.58 118.48 1w4x h GLU 346 Ca 0.04 -0.04 0.23 0.00 -0.50 0.00 0.00 59.36 59.09 1w4x h GLU 346 Cb 0.72 -0.14 -0.11 0.00 -0.84 0.00 0.00 28.75 28.38 1w4x h GLU 346 CO 0.05 0.40 0.62 1.98 -1.40 0.00 0.00 179.01 180.66 1w4x h MET 347 N 0.63 0.59 0.00 2.33 4.05 -1.10 -0.76 114.93 120.67 1w4x h MET 347 Ca 0.40 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1w4x h MET 347 Cb 0.65 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1w4x h MET 347 CO -0.16 0.39 0.00 1.19 0.23 0.00 0.00 176.91 178.56 1w4x n PHE 348 N -4.77 0.33 1.43 1.39 3.72 -0.74 -1.40 117.46 117.41 1w4x n PHE 348 Ca 0.25 0.13 0.15 0.00 -0.05 0.00 0.00 57.45 57.92 1w4x n PHE 348 Cb 0.70 -0.70 0.71 0.00 -0.94 0.00 0.00 39.48 39.25 1w4x n PHE 348 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1w4x n ASN 349 N -1.80 0.14 -4.78 4.37 3.02 -0.29 -4.87 115.26 111.06 1w4x n ASN 349 Ca 0.03 -0.28 -0.37 0.00 -0.03 0.00 0.00 54.58 53.93 1w4x n ASN 349 Cb 0.21 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1w4x n ASN 349 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1w4x s ARG 350 N -2.54 4.51 0.52 3.52 0.52 -0.49 -4.94 118.95 120.04 1w4x s ARG 350 Ca 0.29 1.45 0.29 0.00 -0.52 0.00 0.00 55.73 57.24 1w4x s ARG 350 Cb 0.20 -2.82 1.40 0.00 0.52 0.00 0.00 34.95 34.25 1w4x s ARG 350 CO 0.47 0.18 2.02 -0.44 0.02 0.00 0.00 175.30 177.56 1w4x h ASP 351 N 3.16 0.00 -0.37 0.23 3.32 -1.89 -2.79 116.42 118.08 1w4x h ASP 351 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1w4x h ASP 351 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1w4x h ASP 351 CO 0.65 0.11 0.00 -0.46 -1.72 0.00 0.00 179.24 177.82 1w4x n ASN 352 N -3.42 2.57 -4.29 6.45 6.94 -1.26 -4.89 115.26 117.36 1w4x n ASN 352 Ca -0.01 -1.91 -0.32 0.00 -0.02 0.00 0.00 54.58 52.32 1w4x n ASN 352 Cb 0.28 -0.25 -0.16 0.00 -2.36 0.00 0.00 39.78 37.30 1w4x n ASN 352 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1w4x s VAL 353 N -1.51 2.49 -0.07 3.53 1.01 -1.05 -0.36 120.40 124.44 1w4x s VAL 353 Ca 0.35 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1w4x s VAL 353 Cb 0.19 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1w4x s VAL 353 CO 0.26 0.55 -0.06 -1.00 0.00 0.00 0.00 175.10 174.85 1w4x s HIS 354 N 0.26 1.05 -0.18 5.22 3.76 0.11 -4.81 115.29 120.69 1w4x s HIS 354 Ca -0.13 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.17 1w4x s HIS 354 Cb -0.17 -0.90 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 1w4x s HIS 354 CO 0.07 -0.30 0.67 -1.17 -0.85 0.00 0.00 174.74 173.16 1w4x s LEU 355 N 1.22 4.17 -0.28 0.89 2.96 -1.26 -0.64 118.68 125.74 1w4x s LEU 355 Ca -0.06 0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1w4x s LEU 355 Cb -0.14 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.58 1w4x s LEU 355 CO -0.02 -0.27 0.07 -0.69 -1.32 0.00 0.00 176.35 174.12 1w4x s VAL 356 N 1.80 3.98 -0.56 1.68 1.01 0.17 -4.93 120.40 123.55 1w4x s VAL 356 Ca 0.31 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 1w4x s VAL 356 Cb -0.16 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.27 1w4x s VAL 356 CO 0.11 0.15 0.85 -0.62 0.00 0.00 0.00 175.10 175.59 1w4x s ASP 357 N 1.52 6.27 0.00 3.32 -1.08 -1.26 -0.59 116.67 124.84 1w4x s ASP 357 Ca 0.03 -0.68 0.27 0.00 -0.52 0.00 0.00 52.55 51.65 1w4x s ASP 357 Cb -0.17 -2.39 0.81 0.00 -1.46 0.00 0.00 42.92 39.72 1w4x s ASP 357 CO 0.02 -1.17 1.61 0.35 0.52 0.00 0.00 175.17 176.50 1w4x n THR 358 N 5.95 0.02 -0.04 1.71 -2.24 -0.28 -1.64 114.28 117.77 1w4x n THR 358 Ca -0.02 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1w4x n THR 358 Cb 0.46 0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 69.35 1w4x n THR 358 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1w4x h LEU 359 N 2.96 0.22 0.19 3.22 3.38 -1.78 -2.38 115.31 121.12 1w4x h LEU 359 Ca 0.00 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1w4x h LEU 359 Cb 0.63 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1w4x h LEU 359 CO 0.00 0.65 -0.09 0.28 0.09 0.00 0.00 178.44 179.36 1w4x h SER 360 N -0.21 -0.22 -3.67 -0.43 0.02 -1.91 -3.39 113.55 103.74 1w4x h SER 360 Ca 0.01 -0.21 -0.63 0.00 -0.84 0.00 0.00 61.79 60.13 1w4x h SER 360 Cb 0.58 0.06 -0.41 0.00 0.14 0.00 0.00 62.40 62.77 1w4x h SER 360 CO 0.02 0.10 -0.65 0.00 -1.14 0.00 0.00 176.83 175.16 1w4x s ALA 361 N -5.00 3.17 0.77 3.77 0.00 -0.65 -5.01 121.76 118.81 1w4x s ALA 361 Ca -0.15 -3.31 -0.15 0.00 0.00 0.00 0.00 51.96 48.36 1w4x s ALA 361 Cb 0.03 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1w4x s ALA 361 CO 0.60 -2.05 0.92 -2.30 0.00 0.00 0.00 175.76 172.93 1w4x n PRO 362 N 2.78 0.28 -2.10 0.00 -0.02 -0.89 -4.26 135.00 130.78 1w4x n PRO 362 Ca 0.12 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 1w4x n PRO 362 Cb 0.34 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1w4x n PRO 362 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w4x s ILE 363 N -1.99 3.43 -0.14 4.25 1.01 -1.26 -2.94 121.20 123.56 1w4x s ILE 363 Ca 0.70 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 1w4x s ILE 363 Cb -0.31 -3.54 -0.21 0.00 0.01 0.00 0.00 42.46 38.40 1w4x s ILE 363 CO 0.53 -0.00 0.60 -0.08 0.00 0.00 0.00 174.94 175.99 1w4x h GLU 364 N 8.00 0.00 -2.37 2.79 4.81 -0.48 -3.48 114.58 123.85 1w4x h GLU 364 Ca -0.40 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1w4x h GLU 364 Cb 1.19 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1w4x h GLU 364 CO 0.91 0.82 0.20 -0.08 -0.73 0.00 0.00 179.01 180.13 1w4x s THR 365 N -2.11 0.00 0.19 0.32 -1.32 -1.04 -4.79 115.64 106.89 1w4x s THR 365 Ca -0.16 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.02 1w4x s THR 365 Cb -0.02 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.89 1w4x s THR 365 CO 0.56 0.00 1.08 -0.63 -2.21 0.00 0.00 174.62 173.42 1w4x s ILE 366 N -2.15 3.85 0.41 5.08 -1.09 -0.02 -1.16 121.20 126.13 1w4x s ILE 366 Ca -0.06 1.65 0.07 0.00 -2.23 0.00 0.00 60.65 60.08 1w4x s ILE 366 Cb -0.00 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1w4x s ILE 366 CO 0.01 0.31 0.08 0.42 -1.23 0.00 0.00 174.94 174.54 1w4x s THR 367 N -0.44 2.11 0.38 2.92 -4.23 0.77 -4.39 115.64 112.75 1w4x s THR 367 Ca 0.48 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 59.23 1w4x s THR 367 Cb -0.29 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 70.90 1w4x s THR 367 CO 0.35 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.67 1w4x h PRO 368 N 1.61 0.60 0.00 3.99 0.11 -1.88 -2.78 132.00 133.65 1w4x h PRO 368 Ca -0.43 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1w4x h PRO 368 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1w4x h PRO 368 CO 0.76 0.40 -0.90 0.00 -0.21 0.00 0.00 178.00 178.04 1w4x h ARG 369 N 0.62 0.00 0.00 1.05 3.08 -1.91 -1.70 114.38 115.52 1w4x h ARG 369 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1w4x h ARG 369 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1w4x h ARG 369 CO -0.17 0.73 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 1w4x n GLY 370 N 1.32 -0.47 3.06 0.04 0.00 -1.05 -0.51 105.19 107.58 1w4x n GLY 370 Ca -0.01 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1w4x n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w4x s VAL 371 N 0.00 1.37 -0.21 1.61 1.01 -0.65 -0.17 120.40 123.36 1w4x s VAL 371 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1w4x s VAL 371 Cb 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1w4x s VAL 371 CO 0.00 0.41 0.02 -0.60 0.00 0.00 0.00 175.10 174.93 1w4x s ARG 372 N 0.78 3.64 0.23 2.72 3.52 -0.31 -0.42 118.95 129.11 1w4x s ARG 372 Ca -0.12 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1w4x s ARG 372 Cb -0.16 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1w4x s ARG 372 CO 0.02 -0.03 0.28 0.25 -0.81 0.00 0.00 175.30 175.02 1w4x n THR 373 N 4.39 0.00 0.27 4.11 -2.24 -0.37 0.24 114.28 120.68 1w4x n THR 373 Ca -0.17 -0.82 0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1w4x n THR 373 Cb 0.52 -0.67 0.77 0.00 -2.10 0.00 0.00 70.33 68.85 1w4x n THR 373 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1w4x h SER 374 N 0.10 0.00 0.19 3.42 4.64 -1.76 -3.27 113.55 116.87 1w4x h SER 374 Ca -0.12 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.85 1w4x h SER 374 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1w4x h SER 374 CO 0.18 0.10 -1.97 -0.62 -0.87 0.00 0.00 176.83 173.64 1w4x n GLU 375 N -3.60 0.73 -3.69 4.77 1.02 -1.26 -5.06 120.64 113.55 1w4x n GLU 375 Ca -0.02 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1w4x n GLU 375 Cb 0.22 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1w4x n GLU 375 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1w4x s ARG 376 N -2.56 0.84 -0.02 3.49 1.70 -1.23 -5.15 118.95 116.02 1w4x s ARG 376 Ca -0.20 -0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 54.53 1w4x s ARG 376 Cb 0.07 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1w4x s ARG 376 CO 0.77 -0.39 0.25 -2.00 -1.08 0.00 0.00 175.30 172.86 1w4x s GLU 377 N -2.91 3.57 -0.25 3.89 2.12 -1.26 -1.24 118.70 122.62 1w4x s GLU 377 Ca 0.13 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.36 1w4x s GLU 377 Cb 0.01 -3.11 0.02 0.00 0.26 0.00 0.00 34.13 31.31 1w4x s GLU 377 CO -0.00 0.68 -0.04 0.71 -0.54 0.00 0.00 175.26 176.06 1w4x s TYR 378 N -1.24 3.05 0.03 5.30 2.02 0.44 -4.98 117.35 121.97 1w4x s TYR 378 Ca 0.25 -1.34 -0.27 0.00 -0.37 0.00 0.00 57.07 55.35 1w4x s TYR 378 Cb -0.13 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1w4x s TYR 378 CO 0.14 -0.67 0.85 -1.21 -1.57 0.00 0.00 175.55 173.09 1w4x s GLU 379 N 1.38 4.55 0.01 -0.62 2.02 -1.26 -1.64 118.70 123.14 1w4x s GLU 379 Ca 0.02 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.22 1w4x s GLU 379 Cb -0.16 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1w4x s GLU 379 CO -0.03 0.15 -0.04 -0.51 0.02 0.00 0.00 175.26 174.84 1w4x s LEU 380 N 0.35 2.10 0.00 1.80 1.43 0.33 -4.90 118.68 119.79 1w4x s LEU 380 Ca 0.43 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1w4x s LEU 380 Cb -0.21 -0.14 -0.24 0.00 0.03 0.00 0.00 46.19 45.64 1w4x s LEU 380 CO 0.25 -0.07 0.84 0.44 0.23 0.00 0.00 176.35 178.04 1w4x h ASP 381 N 5.48 0.13 -4.35 2.29 3.32 -0.68 -3.43 116.42 119.18 1w4x h ASP 381 Ca -0.30 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.27 1w4x h ASP 381 Cb 1.20 -0.04 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 1w4x h ASP 381 CO 0.47 1.18 -0.74 -0.44 -1.72 0.00 0.00 179.24 177.99 1w4x s SER 382 N -6.53 0.61 -0.06 6.45 0.01 -0.87 -1.64 113.70 111.66 1w4x s SER 382 Ca -0.06 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1w4x s SER 382 Cb 0.08 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1w4x s SER 382 CO 0.83 -0.09 -0.12 -0.22 0.41 0.00 0.00 173.24 174.05 1w4x s LEU 383 N -0.84 1.62 -0.17 2.44 2.96 0.15 -1.50 118.68 123.34 1w4x s LEU 383 Ca -0.05 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1w4x s LEU 383 Cb -0.06 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 1w4x s LEU 383 CO -0.00 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.25 1w4x s VAL 384 N 0.69 2.96 -0.34 1.68 1.01 0.83 -0.22 120.40 127.01 1w4x s VAL 384 Ca -0.14 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1w4x s VAL 384 Cb -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1w4x s VAL 384 CO 0.03 0.50 0.34 -0.76 0.00 0.00 0.00 175.10 175.21 1w4x s LEU 385 N 0.86 4.45 -1.00 3.92 1.43 -0.18 -1.03 118.68 127.13 1w4x s LEU 385 Ca -0.03 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1w4x s LEU 385 Cb -0.15 -2.31 0.25 0.00 0.03 0.00 0.00 46.19 44.01 1w4x s LEU 385 CO 0.00 -0.32 0.95 0.00 0.23 0.00 0.00 176.35 177.21 1w4x s ALA 386 N 1.98 4.48 0.44 4.21 0.00 -0.01 -1.34 121.76 131.51 1w4x s ALA 386 Ca 0.11 -3.76 -0.20 0.00 0.00 0.00 0.00 51.96 48.12 1w4x s ALA 386 Cb -0.17 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 1w4x s ALA 386 CO 0.11 -2.19 0.95 0.95 0.00 0.00 0.00 175.76 175.58 1w4x s THR 387 N -1.06 4.44 0.00 0.00 -4.23 -1.26 -4.43 115.64 109.10 1w4x s THR 387 Ca 0.28 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1w4x s THR 387 Cb -0.10 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1w4x s THR 387 CO -0.09 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1w4x n GLY 388 N -0.85 0.25 3.24 3.99 0.00 -1.26 -4.65 105.19 105.90 1w4x n GLY 388 Ca 0.07 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 1w4x n GLY 388 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w4x s PHE 389 N 0.73 1.49 1.12 1.61 0.08 -1.26 -4.42 117.98 117.33 1w4x s PHE 389 Ca 0.00 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 1w4x s PHE 389 Cb 0.00 -0.81 0.25 0.00 -0.57 0.00 0.00 43.02 41.89 1w4x s PHE 389 CO 0.00 0.14 1.06 0.34 -0.10 0.00 0.00 175.22 176.67 1w4x s ASP 390 N -2.00 1.56 0.74 1.36 -1.08 -0.27 -4.82 116.67 112.16 1w4x s ASP 390 Ca 0.04 1.15 -0.16 0.00 -0.52 0.00 0.00 52.55 53.06 1w4x s ASP 390 Cb -0.09 -1.77 -0.01 0.00 -1.46 0.00 0.00 42.92 39.59 1w4x s ASP 390 CO 0.03 -3.79 0.70 0.00 0.52 0.00 0.00 175.17 172.64 1w4x n ALA 391 N -4.61 -1.07 0.19 3.66 0.00 -1.26 -4.60 120.51 112.83 1w4x n ALA 391 Ca 0.06 -0.24 0.18 0.00 0.00 0.00 0.00 53.44 53.44 1w4x n ALA 391 Cb 0.57 -1.96 0.77 0.00 0.00 0.00 0.00 19.45 18.83 1w4x n ALA 391 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1w4x h LEU 392 N -0.42 0.00 -0.84 0.00 6.46 -1.86 -0.09 115.31 118.56 1w4x h LEU 392 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1w4x h LEU 392 Cb 1.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1w4x h LEU 392 CO 0.44 0.00 -0.04 0.35 -0.62 0.00 0.00 178.44 178.57 1w4x n THR 393 N -3.41 0.00 -0.16 1.05 -2.24 -1.26 -4.51 114.28 103.75 1w4x n THR 393 Ca 0.04 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1w4x n THR 393 Cb 0.53 0.43 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 1w4x n THR 393 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1w4x h GLY 394 N 4.87 0.65 0.93 3.38 0.00 -1.33 -1.57 103.07 110.00 1w4x h GLY 394 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1w4x h GLY 394 CO 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 176.54 176.64 1w4x h ALA 395 N 1.36 0.35 -0.69 3.60 0.00 -1.81 -2.88 119.26 119.19 1w4x h ALA 395 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1w4x h ALA 395 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1w4x h ALA 395 CO -0.28 -0.08 0.38 -0.07 0.00 0.00 0.00 179.25 179.20 1w4x h LEU 396 N 0.30 0.86 -1.05 0.00 3.38 -1.79 -2.84 115.31 114.17 1w4x h LEU 396 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w4x h LEU 396 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1w4x h LEU 396 CO -0.01 0.70 0.00 -0.26 0.09 0.00 0.00 178.44 178.96 1w4x h PHE 397 N 0.94 0.00 0.00 1.13 -1.00 -1.17 -1.16 116.94 115.68 1w4x h PHE 397 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1w4x h PHE 397 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1w4x h PHE 397 CO -0.01 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.32 1w4x n LYS 398 N -2.69 0.04 -4.18 1.51 5.02 -1.07 -4.70 118.16 112.08 1w4x n LYS 398 Ca 0.01 0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 56.14 1w4x n LYS 398 Cb 0.28 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 1w4x n LYS 398 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1w4x s ILE 399 N -3.04 4.44 -0.91 -0.18 1.01 -0.44 -4.92 121.20 117.16 1w4x s ILE 399 Ca 0.09 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1w4x s ILE 399 Cb 0.13 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1w4x s ILE 399 CO 0.40 0.49 1.78 -0.62 0.00 0.00 0.00 174.94 176.99 1w4x s ASP 400 N 0.20 5.57 -0.24 3.58 2.15 -0.66 -4.92 116.67 122.35 1w4x s ASP 400 Ca 0.02 -0.81 -0.11 0.00 0.43 0.00 0.00 52.55 52.07 1w4x s ASP 400 Cb -0.13 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 1w4x s ASP 400 CO 0.01 -2.34 0.19 -0.63 -0.17 0.00 0.00 175.17 172.23 1w4x s ILE 401 N 8.43 5.34 -0.11 4.11 1.01 -1.26 -1.13 121.20 137.59 1w4x s ILE 401 Ca 0.62 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1w4x s ILE 401 Cb -0.05 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1w4x s ILE 401 CO -0.01 0.32 -0.20 -0.13 0.00 0.00 0.00 174.94 174.92 1w4x s ARG 402 N 1.20 2.67 0.00 2.79 1.81 -0.03 -1.60 118.95 125.80 1w4x s ARG 402 Ca 0.08 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1w4x s ARG 402 Cb -0.14 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 1w4x s ARG 402 CO 0.06 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 1w4x n GLY 403 N 3.91 4.69 3.56 -3.53 0.00 -0.28 -1.16 105.19 112.37 1w4x n GLY 403 Ca -0.20 -2.00 -0.53 0.00 0.00 0.00 0.00 46.02 43.29 1w4x n GLY 403 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1w4x n VAL 404 N 0.00 0.32 -1.86 1.61 0.31 0.22 -1.29 118.33 117.64 1w4x n VAL 404 Ca 0.00 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.11 1w4x n VAL 404 Cb 0.00 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 1w4x n VAL 404 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1w4x n GLY 405 N 2.11 0.57 2.53 2.92 0.00 -1.26 -2.89 105.19 109.17 1w4x n GLY 405 Ca 0.18 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1w4x n GLY 405 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1w4x n ASN 406 N -0.47 -4.61 -4.72 1.61 2.85 -0.41 -4.95 115.26 104.57 1w4x n ASN 406 Ca -0.15 0.07 -0.42 0.00 -0.11 0.00 0.00 54.58 53.97 1w4x n ASN 406 Cb 0.55 -3.86 -0.03 0.00 1.24 0.00 0.00 39.78 37.67 1w4x n ASN 406 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1w4x s VAL 407 N -2.79 4.26 0.07 3.44 1.01 -1.14 -4.77 120.40 120.47 1w4x s VAL 407 Ca 0.05 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 1w4x s VAL 407 Cb -0.02 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1w4x s VAL 407 CO 0.06 0.20 0.97 0.00 0.00 0.00 0.00 175.10 176.32 1w4x s ALA 408 N 0.54 3.21 0.32 5.51 0.00 -1.26 -1.13 121.76 128.95 1w4x s ALA 408 Ca 0.53 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1w4x s ALA 408 Cb -0.26 -3.30 0.62 0.00 0.00 0.00 0.00 23.12 20.17 1w4x s ALA 408 CO 0.31 -0.11 1.90 1.25 0.00 0.00 0.00 175.76 179.11 1w4x h LEU 409 N 6.07 0.83 -0.87 0.00 5.85 -1.67 -1.36 115.31 124.16 1w4x h LEU 409 Ca -0.42 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1w4x h LEU 409 Cb 1.21 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1w4x h LEU 409 CO 0.73 0.50 0.54 0.11 -0.34 0.00 0.00 178.44 179.99 1w4x h LYS 410 N 0.92 0.96 0.04 1.25 1.57 -1.91 -0.96 116.57 118.44 1w4x h LYS 410 Ca 0.40 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1w4x h LYS 410 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1w4x h LYS 410 CO -0.16 0.64 -0.02 0.93 -0.57 0.00 0.00 179.45 180.27 1w4x h GLU 411 N 0.99 -0.05 -0.96 3.15 4.39 -1.68 -2.47 114.58 117.95 1w4x h GLU 411 Ca 0.38 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.15 1w4x h GLU 411 Cb 0.16 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 1w4x h GLU 411 CO -0.17 0.39 0.62 -0.22 -1.16 0.00 0.00 179.01 178.48 1w4x h LYS 412 N -0.50 1.06 -0.51 2.33 3.64 -1.15 -2.45 116.57 118.99 1w4x h LYS 412 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1w4x h LYS 412 Cb 0.46 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1w4x h LYS 412 CO 0.01 0.70 0.00 0.91 -2.27 0.00 0.00 179.45 178.80 1w4x n TRP 413 N -4.50 0.75 0.25 1.91 7.02 -0.38 -4.50 117.44 117.98 1w4x n TRP 413 Ca 0.15 -0.34 0.08 0.00 -1.02 0.00 0.00 57.50 56.37 1w4x n TRP 413 Cb 0.21 -0.07 0.61 0.00 -2.42 0.00 0.00 31.31 29.64 1w4x n TRP 413 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1w4x h ALA 414 N 3.73 1.90 -0.31 6.99 0.00 -0.94 0.28 119.26 130.91 1w4x h ALA 414 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1w4x h ALA 414 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1w4x h ALA 414 CO 0.06 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1w4x n ALA 415 N -2.52 2.47 0.00 0.00 0.00 -1.26 -4.76 120.51 114.43 1w4x n ALA 415 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1w4x n ALA 415 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1w4x n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4x n GLY 416 N 1.22 3.83 3.67 0.00 0.00 0.09 -2.29 105.19 111.72 1w4x n GLY 416 Ca 0.16 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1w4x n GLY 416 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w4x s PRO 417 N -3.76 4.21 -0.27 1.61 0.04 -1.26 -4.43 135.00 131.14 1w4x s PRO 417 Ca 0.00 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1w4x s PRO 417 Cb 0.00 -3.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1w4x s PRO 417 CO 0.00 -0.76 0.17 1.03 0.04 0.00 0.00 177.00 177.48 1w4x s ARG 418 N 3.50 3.93 0.21 4.56 0.52 -1.26 -4.87 118.95 125.53 1w4x s ARG 418 Ca 0.69 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 55.49 1w4x s ARG 418 Cb -0.32 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 1w4x s ARG 418 CO 0.27 -0.14 0.30 0.95 0.02 0.00 0.00 175.30 176.70 1w4x s THR 419 N 1.63 0.02 -0.25 0.02 -4.23 -1.26 -4.61 115.64 106.95 1w4x s THR 419 Ca 0.07 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1w4x s THR 419 Cb -0.16 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1w4x s THR 419 CO 0.09 -0.10 0.04 -0.47 -0.54 0.00 0.00 174.62 173.64 1w4x s TYR 420 N -4.05 3.07 -0.41 3.99 5.04 -0.14 -4.15 117.35 120.70 1w4x s TYR 420 Ca 0.26 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1w4x s TYR 420 Cb 0.03 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1w4x s TYR 420 CO 0.07 -0.47 0.00 1.28 -1.34 0.00 0.00 175.55 175.09 1w4x n LEU 421 N 4.87 0.53 0.00 6.97 4.77 -1.26 -1.81 117.00 131.08 1w4x n LEU 421 Ca -0.16 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1w4x n LEU 421 Cb 0.50 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1w4x n LEU 421 CO 0.30 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 1w4x n GLY 422 N 0.74 0.65 0.11 -0.72 0.00 -1.21 -4.36 105.19 100.40 1w4x n GLY 422 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1w4x n GLY 422 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w4x n LEU 423 N 0.00 1.54 -3.84 0.99 4.77 -0.75 -4.51 117.00 115.21 1w4x n LEU 423 Ca 0.00 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1w4x n LEU 423 Cb 0.00 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1w4x n LEU 423 CO 0.00 0.66 -0.09 -0.44 -1.33 0.00 0.00 177.39 176.20 1w4x s SER 424 N -6.24 0.07 0.01 -1.43 0.01 -1.20 -1.27 113.70 103.66 1w4x s SER 424 Ca -0.18 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 56.65 1w4x s SER 424 Cb 0.07 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 1w4x s SER 424 CO 0.76 -0.66 -0.25 0.28 0.41 0.00 0.00 173.24 173.78 1w4x s THR 425 N -3.30 1.99 0.51 1.44 -1.32 -1.26 -0.97 115.64 112.73 1w4x s THR 425 Ca 0.01 -1.20 -0.22 0.00 -1.21 0.00 0.00 61.69 59.07 1w4x s THR 425 Cb 0.02 -1.68 -0.06 0.00 -1.51 0.00 0.00 72.50 69.28 1w4x s THR 425 CO -0.08 0.44 1.28 0.00 -2.21 0.00 0.00 174.62 174.05 1w4x s ALA 426 N -0.69 2.88 0.00 11.08 0.00 -1.26 -2.40 121.76 131.37 1w4x s ALA 426 Ca 0.10 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1w4x s ALA 426 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1w4x s ALA 426 CO 0.01 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1w4x n GLY 427 N 0.61 1.17 2.25 0.00 0.00 -1.26 -4.94 105.19 103.02 1w4x n GLY 427 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1w4x n GLY 427 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1w4x n PHE 428 N -2.00 0.24 -1.44 1.61 3.72 -1.01 -0.61 117.46 117.98 1w4x n PHE 428 Ca 0.00 -3.64 -0.33 0.00 -0.05 0.00 0.00 57.45 53.43 1w4x n PHE 428 Cb 0.00 -0.33 0.08 0.00 -0.94 0.00 0.00 39.48 38.29 1w4x n PHE 428 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1w4x s PRO 429 N -1.27 2.26 -1.53 -1.08 0.02 -1.26 -3.49 135.00 128.65 1w4x s PRO 429 Ca 0.35 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1w4x s PRO 429 Cb 0.15 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1w4x s PRO 429 CO -0.10 -1.69 0.00 0.09 -0.33 0.00 0.00 177.00 174.96 1w4x n ASN 430 N -2.91 -5.04 -4.23 2.53 4.13 0.34 -4.93 115.26 105.14 1w4x n ASN 430 Ca 0.11 0.36 -0.32 0.00 1.68 0.00 0.00 54.58 56.41 1w4x n ASN 430 Cb 0.51 -3.81 -0.17 0.00 -1.54 0.00 0.00 39.78 34.78 1w4x n ASN 430 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1w4x s LEU 431 N -3.28 2.17 0.04 3.41 2.96 -1.23 -1.05 118.68 121.70 1w4x s LEU 431 Ca 0.00 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1w4x s LEU 431 Cb 0.00 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1w4x s LEU 431 CO 0.00 0.15 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.68 1w4x s PHE 432 N 0.42 1.22 -0.16 5.38 0.08 -0.23 -4.48 117.98 120.20 1w4x s PHE 432 Ca -0.16 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 1w4x s PHE 432 Cb -0.17 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1w4x s PHE 432 CO 0.07 0.03 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.06 1w4x s PHE 433 N -0.81 2.88 -0.19 0.36 0.08 -0.39 -0.24 117.98 119.67 1w4x s PHE 433 Ca 0.02 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.17 1w4x s PHE 433 Cb -0.08 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1w4x s PHE 433 CO 0.01 -0.32 0.42 0.42 -0.10 0.00 0.00 175.22 175.65 1w4x s ILE 434 N 0.73 5.19 -1.46 0.64 -1.09 -0.68 -4.51 121.20 120.03 1w4x s ILE 434 Ca -0.04 0.76 -0.10 0.00 -2.23 0.00 0.00 60.65 59.04 1w4x s ILE 434 Cb -0.15 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1w4x s ILE 434 CO 0.02 0.26 0.97 0.00 -1.23 0.00 0.00 174.94 174.96 1w4x n ALA 435 N 4.33 -1.44 -2.94 9.38 0.00 -1.26 -4.78 120.51 123.80 1w4x n ALA 435 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1w4x n ALA 435 Cb 0.51 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.80 1w4x n ALA 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w4x n GLY 436 N -1.71 6.69 3.77 0.00 0.00 -1.26 -4.64 105.19 108.03 1w4x n GLY 436 Ca -0.03 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1w4x n GLY 436 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w4x s PRO 437 N 0.99 3.90 0.00 1.61 0.04 -1.26 -2.69 135.00 137.60 1w4x s PRO 437 Ca 0.00 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1w4x s PRO 437 Cb 0.00 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1w4x s PRO 437 CO 0.00 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1w4x n GLY 438 N 0.54 0.63 3.52 0.56 0.00 0.65 -4.22 105.19 106.87 1w4x n GLY 438 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1w4x n GLY 438 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w4x s SER 439 N -2.80 2.87 0.20 1.61 1.04 -1.09 -3.33 113.70 112.20 1w4x s SER 439 Ca 0.00 -1.72 -0.09 0.00 0.48 0.00 0.00 55.95 54.61 1w4x s SER 439 Cb 0.00 0.58 0.14 0.00 0.10 0.00 0.00 66.02 66.84 1w4x s SER 439 CO 0.00 -0.98 1.80 -0.65 0.98 0.00 0.00 173.24 174.39 1w4x h PRO 440 N 1.74 1.06 0.00 4.02 0.11 -1.85 -1.87 132.00 135.22 1w4x h PRO 440 Ca -0.34 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1w4x h PRO 440 Cb 1.28 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1w4x h PRO 440 CO 0.54 0.83 0.00 0.45 -0.21 0.00 0.00 178.00 179.61 1w4x n SER 441 N -4.41 0.00 0.13 -2.05 2.88 -1.26 -1.36 113.62 107.55 1w4x n SER 441 Ca 0.06 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.70 1w4x n SER 441 Cb 0.13 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.07 1w4x n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w4x n ALA 442 N 8.57 1.09 -0.55 -1.46 0.00 -1.26 -1.40 120.51 125.49 1w4x n ALA 442 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 1w4x n ALA 442 Cb 0.00 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.41 1w4x n ALA 442 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1w4x n LEU 443 N -2.12 5.18 -4.15 0.00 4.77 -0.46 -4.73 117.00 115.49 1w4x n LEU 443 Ca -0.01 -2.69 -0.13 0.00 -0.03 0.00 0.00 56.01 53.15 1w4x n LEU 443 Cb 0.04 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1w4x n LEU 443 CO 0.09 0.71 -0.04 -0.94 -1.33 0.00 0.00 177.39 175.88 1w4x s SER 444 N -0.66 0.53 -0.34 -1.43 1.04 -0.49 -4.86 113.70 107.49 1w4x s SER 444 Ca 0.42 -1.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.20 1w4x s SER 444 Cb 0.34 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.95 1w4x s SER 444 CO 0.10 -1.04 1.94 0.21 0.98 0.00 0.00 173.24 175.43 1w4x s ASN 445 N -3.18 5.64 0.47 7.02 2.47 -0.04 -4.86 114.94 122.46 1w4x s ASN 445 Ca 0.34 1.33 0.18 0.00 0.42 0.00 0.00 52.86 55.13 1w4x s ASN 445 Cb 0.03 -2.52 1.15 0.00 -1.45 0.00 0.00 41.25 38.46 1w4x s ASN 445 CO 0.16 -1.91 2.03 0.24 -3.72 0.00 0.00 177.10 173.90 1w4x h MET 446 N 14.01 0.00 -0.40 0.43 2.86 -1.90 -1.87 114.93 128.07 1w4x h MET 446 Ca -0.34 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.19 1w4x h MET 446 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1w4x h MET 446 CO 1.04 0.16 -0.20 -0.07 1.06 0.00 0.00 176.91 178.90 1w4x h LEU 447 N 0.00 0.79 -0.24 1.22 3.38 -1.90 0.33 115.31 118.89 1w4x h LEU 447 Ca -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1w4x h LEU 447 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1w4x h LEU 447 CO 0.02 0.97 0.03 0.58 0.09 0.00 0.00 178.44 180.14 1w4x h VAL 448 N 0.68 1.23 -0.57 1.22 2.07 -1.66 -1.54 116.25 117.67 1w4x h VAL 448 Ca 0.10 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1w4x h VAL 448 Cb 0.71 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1w4x h VAL 448 CO 0.05 0.25 0.15 0.28 0.02 0.00 0.00 177.57 178.32 1w4x h SER 449 N 0.20 0.82 -0.32 0.57 0.02 -1.25 -2.13 113.55 111.47 1w4x h SER 449 Ca 0.07 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1w4x h SER 449 Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1w4x h SER 449 CO 0.01 0.80 -0.18 0.40 -1.14 0.00 0.00 176.83 176.72 1w4x h ILE 450 N 0.85 1.29 -0.33 3.27 2.04 -0.28 -1.86 117.51 122.49 1w4x h ILE 450 Ca 0.19 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1w4x h ILE 450 Cb 0.29 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1w4x h ILE 450 CO -0.00 0.42 0.10 -0.33 0.00 0.00 0.00 178.15 178.33 1w4x h GLU 451 N 0.44 0.52 -0.63 2.37 5.08 -1.14 0.28 114.58 121.50 1w4x h GLU 451 Ca 0.07 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1w4x h GLU 451 Cb 0.71 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1w4x h GLU 451 CO 0.05 0.56 0.36 0.37 -1.00 0.00 0.00 179.01 179.36 1w4x h GLN 452 N 0.38 0.67 -0.27 2.33 -0.00 -1.38 -0.63 115.11 116.21 1w4x h GLN 452 Ca 0.11 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.63 1w4x h GLN 452 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 1w4x h GLN 452 CO -0.00 0.44 -0.17 0.45 0.00 0.00 0.00 178.83 179.55 1w4x h HIS 453 N 0.69 0.69 -0.56 3.99 3.86 -1.12 -1.44 115.15 121.25 1w4x h HIS 453 Ca 0.27 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1w4x h HIS 453 Cb 0.12 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1w4x h HIS 453 CO -0.07 0.86 0.10 0.28 0.86 0.00 0.00 177.93 179.96 1w4x h VAL 454 N 0.32 1.25 -0.66 2.45 2.07 -0.81 -0.92 116.25 119.95 1w4x h VAL 454 Ca 0.05 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1w4x h VAL 454 Cb 0.70 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1w4x h VAL 454 CO 0.05 0.35 0.30 -0.33 0.02 0.00 0.00 177.57 177.95 1w4x h GLU 455 N 0.82 0.96 -0.17 1.57 5.08 -1.10 0.08 114.58 121.82 1w4x h GLU 455 Ca 0.17 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1w4x h GLU 455 Cb 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1w4x h GLU 455 CO 0.01 0.78 -0.04 2.35 -1.00 0.00 0.00 179.01 181.11 1w4x h TRP 456 N 0.92 0.37 0.08 4.33 7.01 -1.03 -0.33 115.95 127.28 1w4x h TRP 456 Ca 0.22 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 1w4x h TRP 456 Cb 0.15 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1w4x h TRP 456 CO 0.01 0.59 -0.04 0.28 -2.79 0.00 0.00 178.44 176.49 1w4x h VAL 457 N 0.04 1.14 -0.73 2.65 2.07 -1.11 -0.51 116.25 119.80 1w4x h VAL 457 Ca 0.04 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1w4x h VAL 457 Cb 0.47 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1w4x h VAL 457 CO 0.02 0.20 0.22 0.71 0.02 0.00 0.00 177.57 178.74 1w4x h THR 458 N -0.47 1.26 -0.62 2.57 1.35 -1.03 0.44 112.91 116.41 1w4x h THR 458 Ca -0.01 -0.91 0.09 0.00 -0.55 0.00 0.00 66.41 65.02 1w4x h THR 458 Cb 0.40 0.47 -0.07 0.00 -1.73 0.00 0.00 68.15 67.22 1w4x h THR 458 CO 0.02 0.36 0.27 0.44 -0.25 0.00 0.00 175.52 176.35 1w4x h ASP 459 N 1.09 0.31 -0.58 5.36 3.32 -1.02 0.15 116.42 125.04 1w4x h ASP 459 Ca 0.24 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1w4x h ASP 459 Cb 0.31 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1w4x h ASP 459 CO -0.01 0.19 0.32 -0.74 -1.72 0.00 0.00 179.24 177.28 1w4x h HIS 460 N 0.48 0.80 -0.72 4.55 2.76 -0.63 0.16 115.15 122.54 1w4x h HIS 460 Ca 0.31 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 1w4x h HIS 460 Cb 0.34 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1w4x h HIS 460 CO -0.14 0.58 0.23 0.82 -1.30 0.00 0.00 177.93 178.12 1w4x h ILE 461 N 0.79 1.26 0.21 6.26 2.04 -0.49 -1.38 117.51 126.19 1w4x h ILE 461 Ca 0.20 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1w4x h ILE 461 Cb 0.05 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1w4x h ILE 461 CO -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 178.15 178.36 1w4x h ALA 462 N 1.18 -0.28 -0.92 1.87 0.00 -0.60 -2.72 119.26 117.79 1w4x h ALA 462 Ca 0.23 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1w4x h ALA 462 Cb 0.29 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1w4x h ALA 462 CO -0.01 -0.63 0.45 -0.92 0.00 0.00 0.00 179.25 178.14 1w4x h TYR 463 N -0.35 0.75 0.26 0.00 3.20 -0.77 0.23 116.97 120.30 1w4x h TYR 463 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1w4x h TYR 463 Cb 0.27 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1w4x h TYR 463 CO -0.04 0.01 -0.16 0.52 -1.64 0.00 0.00 178.16 176.85 1w4x h MET 464 N 0.47 -0.39 -0.68 1.82 2.86 -0.97 -2.01 114.93 116.03 1w4x h MET 464 Ca 0.57 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 58.20 1w4x h MET 464 Cb 1.05 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 1w4x h MET 464 CO -0.49 -0.26 0.27 0.74 1.06 0.00 0.00 176.91 178.23 1w4x h PHE 465 N -0.40 1.01 -0.50 -0.22 0.04 -1.04 -1.02 116.94 114.81 1w4x h PHE 465 Ca -0.03 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1w4x h PHE 465 Cb 0.33 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1w4x h PHE 465 CO -0.09 0.77 0.31 -0.22 -0.60 0.00 0.00 178.31 178.48 1w4x h LYS 466 N 0.98 0.67 -0.57 1.51 3.64 -0.80 -2.85 116.57 119.15 1w4x h LYS 466 Ca 0.23 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1w4x h LYS 466 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1w4x h LYS 466 CO -0.02 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.72 1w4x n ASN 467 N -4.44 3.54 -1.14 4.20 3.02 -0.77 -4.97 115.26 114.71 1w4x n ASN 467 Ca 0.04 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 1w4x n ASN 467 Cb 0.07 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1w4x n ASN 467 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w4x n GLY 468 N 1.23 0.67 3.91 7.41 0.00 -0.60 -5.02 105.19 112.79 1w4x n GLY 468 Ca 0.19 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1w4x n GLY 468 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w4x s LEU 469 N -3.10 4.10 0.00 0.99 1.43 -0.49 -5.02 118.68 116.59 1w4x s LEU 469 Ca 0.00 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1w4x s LEU 469 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1w4x s LEU 469 CO 0.00 -0.16 0.23 0.35 0.23 0.00 0.00 176.35 177.00 1w4x n THR 470 N -0.86 0.02 -3.70 5.49 -2.24 0.22 -4.37 114.28 108.85 1w4x n THR 470 Ca -0.02 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1w4x n THR 470 Cb 0.54 1.55 -0.17 0.00 -2.10 0.00 0.00 70.33 70.15 1w4x n THR 470 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1w4x s ARG 471 N -0.02 -0.05 -0.14 -0.78 3.52 -0.41 -4.85 118.95 116.22 1w4x s ARG 471 Ca 0.00 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1w4x s ARG 471 Cb 0.00 -0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.02 1w4x s ARG 471 CO 0.00 -0.28 -0.06 0.45 -0.81 0.00 0.00 175.30 174.60 1w4x s SER 472 N 1.88 2.45 -0.02 -2.12 0.15 -1.26 -1.30 113.70 113.48 1w4x s SER 472 Ca 0.01 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1w4x s SER 472 Cb -0.12 -0.84 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1w4x s SER 472 CO -0.03 -0.16 -0.05 -0.70 1.20 0.00 0.00 173.24 173.50 1w4x s GLU 473 N 1.70 0.58 0.33 5.44 2.12 -0.73 -0.50 118.70 127.64 1w4x s GLU 473 Ca 0.03 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 1w4x s GLU 473 Cb -0.14 -0.59 -0.11 0.00 0.26 0.00 0.00 34.13 33.55 1w4x s GLU 473 CO -0.08 0.04 1.47 0.00 -0.54 0.00 0.00 175.26 176.15 1w4x s ALA 474 N 0.30 3.60 0.09 6.30 0.00 -1.26 0.35 121.76 131.14 1w4x s ALA 474 Ca -0.03 1.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1w4x s ALA 474 Cb -0.07 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1w4x s ALA 474 CO -0.00 -0.91 1.27 0.08 0.00 0.00 0.00 175.76 176.20 1w4x s VAL 475 N -0.75 3.71 0.22 0.00 1.01 0.60 -4.41 120.40 120.78 1w4x s VAL 475 Ca 0.55 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 1w4x s VAL 475 Cb -0.45 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.30 1w4x s VAL 475 CO 0.55 0.11 1.85 0.25 0.00 0.00 0.00 175.10 177.86 1w4x h LEU 476 N 6.67 0.77 -1.28 3.92 5.85 -1.93 -1.47 115.31 127.84 1w4x h LEU 476 Ca -0.42 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1w4x h LEU 476 Cb 1.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1w4x h LEU 476 CO 0.83 0.53 0.44 -0.08 -0.34 0.00 0.00 178.44 179.82 1w4x h GLU 477 N 0.92 0.93 0.01 1.25 4.22 -1.97 -1.25 114.58 118.69 1w4x h GLU 477 Ca 0.30 -0.07 -0.20 0.00 0.08 0.00 0.00 59.36 59.47 1w4x h GLU 477 Cb 0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1w4x h GLU 477 CO -0.12 0.63 -0.90 0.87 -2.18 0.00 0.00 179.01 177.31 1w4x h LYS 478 N 0.95 0.22 -0.22 1.92 1.79 -1.64 -1.70 116.57 117.88 1w4x h LYS 478 Ca 0.25 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1w4x h LYS 478 Cb -0.08 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1w4x h LYS 478 CO -0.05 0.98 0.12 1.49 -1.08 0.00 0.00 179.45 180.91 1w4x h GLU 479 N 0.12 0.31 -0.81 3.15 4.81 -1.06 -0.54 114.58 120.56 1w4x h GLU 479 Ca -0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1w4x h GLU 479 Cb 1.54 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.82 1w4x h GLU 479 CO 0.14 0.28 0.33 -0.44 -0.73 0.00 0.00 179.01 178.58 1w4x h ASP 480 N 0.26 1.11 -0.53 1.04 3.32 -1.13 0.35 116.42 120.83 1w4x h ASP 480 Ca 0.08 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1w4x h ASP 480 Cb 0.06 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1w4x h ASP 480 CO -0.01 0.98 0.26 -0.08 -1.72 0.00 0.00 179.24 178.66 1w4x h GLU 481 N 1.17 0.77 0.02 3.56 4.81 -1.24 -1.67 114.58 121.99 1w4x h GLU 481 Ca 0.27 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1w4x h GLU 481 Cb 0.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1w4x h GLU 481 CO -0.02 0.63 -0.01 2.35 -0.73 0.00 0.00 179.01 181.23 1w4x h TRP 482 N 0.71 -0.03 -0.42 0.92 2.91 -0.47 0.41 115.95 119.99 1w4x h TRP 482 Ca 0.18 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.27 1w4x h TRP 482 Cb 0.12 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.71 1w4x h TRP 482 CO -0.00 0.14 0.06 0.28 -1.03 0.00 0.00 178.44 177.88 1w4x h VAL 483 N -0.19 0.75 -0.80 2.65 2.07 -0.92 0.77 116.25 120.57 1w4x h VAL 483 Ca -0.00 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1w4x h VAL 483 Cb 0.18 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1w4x h VAL 483 CO 0.00 0.03 0.33 -0.08 0.02 0.00 0.00 177.57 177.88 1w4x h GLU 484 N 0.18 1.18 -0.50 1.57 4.22 -1.19 -1.55 114.58 118.49 1w4x h GLU 484 Ca 0.21 -0.20 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1w4x h GLU 484 Cb 0.27 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1w4x h GLU 484 CO -0.29 0.95 0.10 1.25 -2.18 0.00 0.00 179.01 178.84 1w4x h HIS 485 N 1.16 0.86 -0.43 0.92 2.76 0.03 0.74 115.15 121.18 1w4x h HIS 485 Ca 0.27 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1w4x h HIS 485 Cb 0.19 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1w4x h HIS 485 CO 0.02 0.77 0.24 0.28 -1.30 0.00 0.00 177.93 177.94 1w4x h VAL 486 N 0.70 1.01 -0.40 5.26 2.07 -0.68 -1.89 116.25 122.32 1w4x h VAL 486 Ca 0.15 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1w4x h VAL 486 Cb 0.36 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1w4x h VAL 486 CO 0.01 0.09 0.24 0.78 0.02 0.00 0.00 177.57 178.70 1w4x h ASN 487 N 0.48 0.49 -0.08 0.57 2.35 -0.97 -1.12 115.58 117.30 1w4x h ASN 487 Ca 0.18 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1w4x h ASN 487 Cb 0.05 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1w4x h ASN 487 CO -0.10 0.40 0.05 -0.08 -1.65 0.00 0.00 177.43 176.05 1w4x h GLU 488 N 0.53 0.10 -0.08 0.81 4.81 -0.60 0.16 114.58 120.31 1w4x h GLU 488 Ca 0.14 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1w4x h GLU 488 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1w4x h GLU 488 CO -0.03 0.07 -0.55 -0.84 -0.73 0.00 0.00 179.01 176.93 1w4x h ILE 489 N 0.10 1.37 -0.69 2.32 3.07 -1.34 -2.97 117.51 119.38 1w4x h ILE 489 Ca 0.03 -1.85 -0.06 0.00 1.55 0.00 0.00 64.86 64.53 1w4x h ILE 489 Cb -0.01 1.92 -0.03 0.00 -0.27 0.00 0.00 36.82 38.43 1w4x h ILE 489 CO -0.01 0.55 0.20 0.00 -1.05 0.00 0.00 178.15 177.83 1w4x h ALA 490 N 1.25 1.04 0.00 0.16 0.00 -0.78 -2.62 119.26 118.31 1w4x h ALA 490 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1w4x h ALA 490 Cb 1.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1w4x h ALA 490 CO 0.08 0.64 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1w4x n ASP 491 N -4.25 0.17 -0.50 0.00 8.00 0.52 -0.97 116.55 119.51 1w4x n ASP 491 Ca 0.05 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.21 1w4x n ASP 491 Cb 0.24 -0.58 0.42 0.00 -0.02 0.00 0.00 41.12 41.17 1w4x n ASP 491 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1w4x n GLU 492 N -1.69 1.67 -4.69 -1.24 1.02 -0.99 -4.93 120.64 109.79 1w4x n GLU 492 Ca 0.02 -1.00 -0.31 0.00 -0.02 0.00 0.00 57.16 55.85 1w4x n GLU 492 Cb 0.15 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 1w4x n GLU 492 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1w4x s THR 493 N -1.84 0.82 -1.24 2.62 -4.23 -0.14 -4.73 115.64 106.89 1w4x s THR 493 Ca 0.33 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.12 1w4x s THR 493 Cb 0.18 -2.11 0.24 0.00 1.34 0.00 0.00 72.50 72.14 1w4x s THR 493 CO 0.27 0.00 1.73 0.18 -0.54 0.00 0.00 174.62 176.26 1w4x n LEU 494 N -1.18 0.36 -0.35 4.79 4.77 0.18 -4.41 117.00 121.15 1w4x n LEU 494 Ca -0.16 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1w4x n LEU 494 Cb 0.66 -0.30 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 1w4x n LEU 494 CO 0.35 0.08 1.22 1.88 -1.33 0.00 0.00 177.39 179.59 1w4x h TYR 495 N 0.23 1.10 0.00 -1.77 0.05 -1.81 0.01 116.97 114.79 1w4x h TYR 495 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1w4x h TYR 495 Cb 0.45 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1w4x h TYR 495 CO 0.00 0.38 0.03 -2.30 -1.05 0.00 0.00 178.16 175.22 1w4x n PRO 496 N -4.65 0.08 0.00 4.88 -0.02 -1.26 -1.31 135.00 132.72 1w4x n PRO 496 Ca 0.20 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.35 1w4x n PRO 496 Cb 0.43 -1.81 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 1w4x n PRO 496 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1w4x n MET 497 N -1.95 0.04 -3.56 -0.52 2.81 -0.01 -4.62 117.12 109.31 1w4x n MET 497 Ca -0.01 0.14 -0.41 0.00 -1.81 0.00 0.00 57.70 55.61 1w4x n MET 497 Cb 0.05 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.96 1w4x n MET 497 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1w4x s THR 498 N -2.95 4.88 0.57 2.03 2.01 -0.43 -4.95 115.64 116.81 1w4x s THR 498 Ca 0.11 -0.63 0.26 0.00 0.31 0.00 0.00 61.69 61.74 1w4x s THR 498 Cb 0.13 -3.65 0.35 0.00 0.01 0.00 0.00 72.50 69.34 1w4x s THR 498 CO 0.37 -0.17 2.12 0.00 -0.69 0.00 0.00 174.62 176.25 1w4x h ALA 499 N 8.49 1.91 0.00 7.40 0.00 -1.87 -2.58 119.26 132.60 1w4x h ALA 499 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1w4x h ALA 499 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1w4x h ALA 499 CO 0.67 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.34 1w4x h SER 500 N 0.00 0.00 -0.06 0.00 4.64 -1.94 -2.42 113.55 113.77 1w4x h SER 500 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1w4x h SER 500 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1w4x h SER 500 CO -0.00 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.75 1w4x n TRP 501 N -2.39 0.06 -4.61 4.77 5.03 -0.97 -4.77 117.44 114.56 1w4x n TRP 501 Ca 0.02 -0.03 -0.30 0.00 3.03 0.00 0.00 57.50 60.22 1w4x n TRP 501 Cb 0.23 0.00 -0.13 0.00 -1.03 0.00 0.00 31.31 30.38 1w4x n TRP 501 CO 0.00 0.00 0.00 0.71 -0.03 0.00 0.00 177.69 178.37 1w4x s TYR 502 N -1.94 2.40 -0.40 -5.99 2.02 -0.91 -1.19 117.35 111.34 1w4x s TYR 502 Ca 0.37 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.53 1w4x s TYR 502 Cb 0.19 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1w4x s TYR 502 CO 0.31 0.26 0.54 0.95 -1.57 0.00 0.00 175.55 176.04 1w4x s THR 503 N -0.96 4.96 0.05 -0.71 -4.23 -1.26 -4.94 115.64 108.56 1w4x s THR 503 Ca 0.14 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1w4x s THR 503 Cb -0.10 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.66 1w4x s THR 503 CO 0.05 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1w4x n GLY 504 N 4.97 -1.70 3.89 3.99 0.00 -1.26 -4.45 105.19 110.62 1w4x n GLY 504 Ca -0.04 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1w4x n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4x s ALA 505 N -1.68 2.93 -0.08 4.61 0.00 -1.26 -5.01 121.76 121.27 1w4x s ALA 505 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 1w4x s ALA 505 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1w4x s ALA 505 CO 0.00 -1.11 1.44 1.21 0.00 0.00 0.00 175.76 177.30 1w4x s ASN 506 N -4.36 6.82 -0.16 0.00 3.84 -1.26 -5.02 114.94 114.80 1w4x s ASN 506 Ca 0.58 2.01 0.00 0.00 0.21 0.00 0.00 52.86 55.66 1w4x s ASN 506 Cb -0.11 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1w4x s ASN 506 CO 0.51 -0.80 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.21 1w4x s VAL 507 N 3.34 1.55 0.18 -5.21 1.01 -1.26 -5.11 120.40 114.90 1w4x s VAL 507 Ca 0.64 -0.74 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1w4x s VAL 507 Cb -0.29 -1.53 -0.16 0.00 0.00 0.00 0.00 36.38 34.41 1w4x s VAL 507 CO 0.23 0.34 1.09 -2.65 0.00 0.00 0.00 175.10 174.12 1w4x n PRO 508 N 4.76 1.07 -0.99 2.72 -0.02 -1.26 -1.83 135.00 139.44 1w4x n PRO 508 Ca -0.16 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1w4x n PRO 508 Cb 0.49 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1w4x n PRO 508 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w4x n GLY 509 N 1.88 0.48 3.30 -1.23 0.00 -1.26 -5.01 105.19 103.34 1w4x n GLY 509 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1w4x n GLY 509 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w4x s LYS 510 N -0.31 1.16 0.71 1.61 -0.14 -0.76 -5.14 119.74 116.86 1w4x s LYS 510 Ca 0.00 -1.23 -0.13 0.00 -1.36 0.00 0.00 55.97 53.25 1w4x s LYS 510 Cb 0.00 -1.35 0.03 0.00 -1.68 0.00 0.00 37.83 34.83 1w4x s LYS 510 CO 0.00 0.30 1.11 -1.25 -0.76 0.00 0.00 175.35 174.75 1w4x s PRO 511 N -2.17 2.52 -0.05 -1.68 0.04 -1.26 -4.74 135.00 127.65 1w4x s PRO 511 Ca 0.09 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1w4x s PRO 511 Cb -0.09 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1w4x s PRO 511 CO 0.05 -1.46 0.10 0.50 0.04 0.00 0.00 177.00 176.22 1w4x s ARG 512 N -4.38 -0.00 -0.20 4.56 3.52 -1.26 -4.86 118.95 116.33 1w4x s ARG 512 Ca 0.65 0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 56.61 1w4x s ARG 512 Cb -0.20 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 1w4x s ARG 512 CO 0.47 -0.25 -0.10 0.08 -0.81 0.00 0.00 175.30 174.69 1w4x s VAL 513 N 1.69 2.91 0.38 7.11 1.01 -0.97 -5.01 120.40 127.52 1w4x s VAL 513 Ca -0.02 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1w4x s VAL 513 Cb -0.12 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1w4x s VAL 513 CO -0.04 0.47 1.22 0.12 0.00 0.00 0.00 175.10 176.86 1w4x s PHE 514 N 1.35 3.04 0.22 5.22 5.36 -1.26 -4.51 117.98 127.40 1w4x s PHE 514 Ca 0.04 1.51 0.03 0.00 -0.96 0.00 0.00 56.93 57.56 1w4x s PHE 514 Cb -0.14 -3.49 0.20 0.00 -0.34 0.00 0.00 43.02 39.25 1w4x s PHE 514 CO -0.06 -1.52 1.53 1.98 -1.46 0.00 0.00 175.22 175.69 1w4x h MET 515 N 2.85 0.28 -4.80 10.12 1.85 -1.54 -3.45 114.93 120.23 1w4x h MET 515 Ca -0.49 -0.20 -0.30 0.00 -0.61 0.00 0.00 59.70 58.10 1w4x h MET 515 Cb 1.23 0.03 -0.19 0.00 0.43 0.00 0.00 31.60 33.10 1w4x h MET 515 CO 0.63 0.82 -0.73 -0.51 -0.40 0.00 0.00 176.91 176.71 1w4x s LEU 516 N -7.93 2.34 -0.14 3.39 1.43 -1.26 -0.25 118.68 116.26 1w4x s LEU 516 Ca -0.04 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 1w4x s LEU 516 Cb 0.12 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 1w4x s LEU 516 CO 0.81 -0.24 1.15 -0.47 0.23 0.00 0.00 176.35 177.83 1w4x s TYR 517 N -1.98 3.18 -0.90 0.29 5.04 -0.70 -4.84 117.35 117.43 1w4x s TYR 517 Ca -0.01 1.27 0.12 0.00 -2.44 0.00 0.00 57.07 56.01 1w4x s TYR 517 Cb -0.06 -3.37 0.36 0.00 0.35 0.00 0.00 41.96 39.24 1w4x s TYR 517 CO -0.00 -1.06 1.30 1.33 -1.34 0.00 0.00 175.55 175.78 1w4x n VAL 518 N 4.99 1.18 1.77 3.14 0.24 -1.26 -4.03 118.33 124.35 1w4x n VAL 518 Ca 0.12 -1.11 0.15 0.00 -2.04 0.00 0.00 64.34 61.46 1w4x n VAL 518 Cb 0.46 0.40 0.80 0.00 -1.47 0.00 0.00 33.84 34.03 1w4x n VAL 518 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1w4x n GLY 519 N 0.47 -0.80 0.00 7.63 0.00 -1.26 -4.99 105.19 106.24 1w4x n GLY 519 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1w4x n GLY 519 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4x n GLY 520 N 1.09 2.83 0.15 -0.02 0.00 -1.26 -4.68 105.19 103.31 1w4x n GLY 520 Ca 0.21 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1w4x n GLY 520 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1w4x h PHE 521 N 0.00 0.45 -0.66 1.61 3.57 -0.36 -1.92 116.94 119.62 1w4x h PHE 521 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1w4x h PHE 521 Cb 0.00 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1w4x h PHE 521 CO 0.00 0.43 0.41 1.25 -2.23 0.00 0.00 178.31 178.17 1w4x h HIS 522 N 0.34 0.76 -0.84 0.41 2.76 -1.50 0.93 115.15 118.01 1w4x h HIS 522 Ca 0.10 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1w4x h HIS 522 Cb 0.16 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 1w4x h HIS 522 CO -0.01 0.44 0.39 -0.09 -1.30 0.00 0.00 177.93 177.36 1w4x h ARG 523 N 0.80 1.22 -0.46 5.26 2.43 -1.80 -1.33 114.38 120.51 1w4x h ARG 523 Ca 0.26 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1w4x h ARG 523 Cb 0.02 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1w4x h ARG 523 CO -0.11 0.95 0.00 -0.92 -1.51 0.00 0.00 179.97 178.38 1w4x h TYR 524 N 1.21 0.88 -0.48 2.20 3.20 -0.64 -2.06 116.97 121.27 1w4x h TYR 524 Ca 0.29 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.05 1w4x h TYR 524 Cb 0.14 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1w4x h TYR 524 CO 0.02 0.85 0.25 -0.09 -1.64 0.00 0.00 178.16 177.54 1w4x h ARG 525 N 0.66 0.47 -0.56 1.82 1.12 -0.56 -1.55 114.38 115.77 1w4x h ARG 525 Ca 0.13 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1w4x h ARG 525 Cb 0.50 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.32 1w4x h ARG 525 CO 0.02 0.31 0.37 1.96 -3.11 0.00 0.00 179.97 179.53 1w4x h GLN 526 N 0.49 0.73 -0.14 0.20 4.20 -1.03 -0.83 115.11 118.73 1w4x h GLN 526 Ca 0.21 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1w4x h GLN 526 Cb 0.11 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1w4x h GLN 526 CO -0.14 0.48 -0.11 0.82 -0.67 0.00 0.00 178.83 179.21 1w4x h ILE 527 N 0.75 0.68 -0.52 2.54 2.04 -1.06 -1.42 117.51 120.51 1w4x h ILE 527 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 1w4x h ILE 527 Cb -0.07 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1w4x h ILE 527 CO -0.05 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.31 1w4x h ASP 529 N 0.74 0.94 -0.61 0.00 3.32 -0.91 -1.71 116.42 118.19 1w4x h ASP 529 Ca 0.18 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1w4x h ASP 529 Cb 0.15 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1w4x h ASP 529 CO -0.02 1.22 0.36 -0.33 -1.72 0.00 0.00 179.24 178.76 1w4x h GLU 530 N 0.67 0.83 -0.35 3.56 5.08 -0.94 0.10 114.58 123.54 1w4x h GLU 530 Ca 0.05 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1w4x h GLU 530 Cb 0.97 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1w4x h GLU 530 CO 0.09 0.60 0.21 0.28 -1.00 0.00 0.00 179.01 179.19 1w4x h VAL 531 N 0.82 1.12 -0.49 3.13 2.07 -1.09 -1.32 116.25 120.48 1w4x h VAL 531 Ca 0.22 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1w4x h VAL 531 Cb -0.01 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1w4x h VAL 531 CO -0.04 0.11 0.06 0.00 0.02 0.00 0.00 177.57 177.72 1w4x h ALA 532 N 1.09 0.65 -0.51 1.67 0.00 -1.01 0.24 119.26 121.39 1w4x h ALA 532 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1w4x h ALA 532 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1w4x h ALA 532 CO -0.02 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.84 1w4x h ALA 533 N 0.95 1.41 -0.27 0.00 0.00 -0.56 -1.57 119.26 119.22 1w4x h ALA 533 Ca 0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1w4x h ALA 533 Cb 0.43 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1w4x h ALA 533 CO 0.01 0.45 0.15 1.63 0.00 0.00 0.00 179.25 181.50 1w4x n LYS 534 N -4.35 1.57 -2.57 0.00 5.02 -0.52 -4.84 118.16 112.47 1w4x n LYS 534 Ca 0.04 -0.92 -0.14 0.00 -2.02 0.00 0.00 58.31 55.27 1w4x n LYS 534 Cb 0.16 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1w4x n LYS 534 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w4x n GLY 535 N 0.05 -0.14 2.31 0.72 0.00 -0.59 -3.41 105.19 104.13 1w4x n GLY 535 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1w4x n GLY 535 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1w4x n TYR 536 N -4.05 -1.20 -1.66 1.61 4.01 0.82 -4.96 117.16 111.74 1w4x n TYR 536 Ca -0.11 0.49 -0.56 0.00 -0.16 0.00 0.00 57.90 57.56 1w4x n TYR 536 Cb 0.60 -3.43 -0.07 0.00 -0.31 0.00 0.00 39.34 36.12 1w4x n TYR 536 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1w4x n GLU 537 N -2.63 1.05 -0.03 -0.72 2.13 -1.08 -1.38 120.64 117.97 1w4x n GLU 537 Ca -0.11 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1w4x n GLU 537 Cb 0.57 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.25 1w4x n GLU 537 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w4x n GLY 538 N 3.40 0.39 3.57 8.31 0.00 -1.26 -4.89 105.19 114.71 1w4x n GLY 538 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1w4x n GLY 538 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w4x s PHE 539 N -2.14 2.82 -0.31 1.61 0.08 -0.48 -0.29 117.98 119.28 1w4x s PHE 539 Ca 0.00 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 1w4x s PHE 539 Cb 0.00 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1w4x s PHE 539 CO 0.00 0.35 0.23 0.54 -0.10 0.00 0.00 175.22 176.25 1w4x s VAL 540 N -1.00 5.28 -0.18 -0.44 0.11 0.16 -4.84 120.40 119.49 1w4x s VAL 540 Ca 0.17 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.23 1w4x s VAL 540 Cb -0.11 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1w4x s VAL 540 CO 0.08 0.12 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.10 1w4x s LEU 541 N 1.78 2.70 0.00 2.54 1.43 -1.26 -1.78 118.68 124.09 1w4x s LEU 541 Ca 0.07 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1w4x s LEU 541 Cb -0.17 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1w4x s LEU 541 CO 0.11 0.05 0.21 0.35 0.23 0.00 0.00 176.35 177.30