#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3h n ARG 4 N 0.00 0.31 -3.92 -0.52 1.85 -1.26 -5.12 116.66 108.00 1s3h n ARG 4 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1s3h n ARG 4 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 1s3h n ARG 4 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1s3h s GLU 5 N -2.56 0.45 -0.11 2.89 2.12 -1.26 -5.14 118.70 115.09 1s3h s GLU 5 Ca 0.00 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.81 1s3h s GLU 5 Cb 0.00 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.59 1s3h s GLU 5 CO 0.00 -0.10 -0.14 0.42 -0.54 0.00 0.00 175.26 174.90 1s3h s ILE 6 N -1.65 1.45 0.15 -3.70 1.01 -1.26 -5.11 121.20 112.08 1s3h s ILE 6 Ca -0.13 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1s3h s ILE 6 Cb -0.07 -1.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 1s3h s ILE 6 CO -0.00 0.43 1.21 -0.70 0.00 0.00 0.00 174.94 175.88 1s3h s GLU 7 N 1.10 4.47 0.12 2.79 2.12 -1.26 -5.04 118.70 123.00 1s3h s GLU 7 Ca -0.04 1.86 0.06 0.00 0.36 0.00 0.00 54.97 57.21 1s3h s GLU 7 Cb -0.14 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1s3h s GLU 7 CO -0.03 -0.15 -0.15 0.14 -0.54 0.00 0.00 175.26 174.53 1s3h s VAL 8 N 0.29 1.33 0.62 3.70 -7.23 -1.26 -4.79 120.40 113.06 1s3h s VAL 8 Ca 0.55 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 1s3h s VAL 8 Cb -0.32 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1s3h s VAL 8 CO 0.34 -0.37 1.12 -0.94 -0.31 0.00 0.00 175.10 174.94 1s3h s SER 9 N -2.34 5.29 0.72 4.85 1.04 0.87 -4.97 113.70 119.16 1s3h s SER 9 Ca 0.07 2.08 -0.16 0.00 0.48 0.00 0.00 55.95 58.42 1s3h s SER 9 Cb -0.06 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1s3h s SER 9 CO 0.03 -1.51 0.92 -1.84 0.98 0.00 0.00 173.24 171.82 1s3h n GLU 10 N -2.03 0.50 -1.60 4.02 0.00 -1.26 -4.89 120.64 115.38 1s3h n GLU 10 Ca 0.11 0.22 -0.41 0.00 0.00 0.00 0.00 57.16 57.08 1s3h n GLU 10 Cb 0.52 -2.17 0.01 0.00 0.00 0.00 0.00 31.44 29.79 1s3h n GLU 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 1s3h n PRO 11 N -1.69 1.27 -3.58 3.44 -0.02 -1.26 -4.94 135.00 128.21 1s3h n PRO 11 Ca 0.13 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1s3h n PRO 11 Cb 0.49 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1s3h n PRO 11 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1s3h s ARG 12 N -2.04 0.12 0.30 -0.52 1.70 -0.94 -4.99 118.95 112.58 1s3h s ARG 12 Ca 0.64 -0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 55.60 1s3h s ARG 12 Cb -0.55 0.04 -0.09 0.00 -0.57 0.00 0.00 34.95 33.78 1s3h s ARG 12 CO 0.56 -0.05 0.88 -1.21 -1.08 0.00 0.00 175.30 174.40 1s3h s GLU 13 N -2.13 4.48 -0.15 3.89 2.02 -1.26 -1.73 118.70 123.83 1s3h s GLU 13 Ca 0.14 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.31 1s3h s GLU 13 Cb 0.06 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1s3h s GLU 13 CO -0.06 0.30 -0.11 0.08 0.02 0.00 0.00 175.26 175.50 1s3h s VAL 14 N -1.61 3.20 0.39 2.63 1.01 0.10 -4.89 120.40 121.24 1s3h s VAL 14 Ca 0.48 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1s3h s VAL 14 Cb -0.18 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.73 1s3h s VAL 14 CO 0.23 0.51 0.93 -0.83 0.00 0.00 0.00 175.10 175.94 1s3h s GLY 15 N 0.50 2.51 -0.05 4.51 0.00 0.10 -4.32 107.32 110.56 1s3h s GLY 15 Ca -0.08 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1s3h s GLY 15 CO 0.04 0.74 -0.14 -0.42 0.00 0.00 0.00 173.10 173.31 1s3h s ILE 16 N -1.99 1.25 -0.21 0.90 -1.09 -1.26 -1.15 121.20 117.63 1s3h s ILE 16 Ca 0.58 -0.59 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 1s3h s ILE 16 Cb -0.12 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1s3h s ILE 16 CO 0.16 0.37 0.05 -0.89 -1.23 0.00 0.00 174.94 173.40 1s3h s THR 17 N 0.30 4.34 0.03 2.92 2.01 -0.92 0.19 115.64 124.51 1s3h s THR 17 Ca -0.08 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 1s3h s THR 17 Cb -0.13 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1s3h s THR 17 CO 0.03 0.40 0.76 -0.70 -0.69 0.00 0.00 174.62 174.42 1s3h s GLU 18 N 1.06 4.49 0.00 4.92 2.56 -0.92 -1.32 118.70 129.48 1s3h s GLU 18 Ca 0.03 1.05 0.12 0.00 0.00 0.00 0.00 54.97 56.18 1s3h s GLU 18 Cb -0.14 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.63 1s3h s GLU 18 CO 0.03 0.25 0.74 1.28 -0.56 0.00 0.00 175.26 177.00 1s3h n LEU 19 N 2.95 1.48 -0.34 2.70 4.77 -0.11 -1.39 117.00 127.07 1s3h n LEU 19 Ca -0.02 -0.80 0.19 0.00 -0.03 0.00 0.00 56.01 55.35 1s3h n LEU 19 Cb 0.50 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.00 1s3h n LEU 19 CO 0.47 0.29 1.16 1.62 -1.33 0.00 0.00 177.39 179.60 1s3h h VAL 20 N 1.55 0.49 0.00 4.08 3.04 -1.83 0.46 116.25 124.04 1s3h h VAL 20 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1s3h h VAL 20 Cb 0.43 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1s3h h VAL 20 CO 0.00 0.10 0.00 0.18 -1.01 0.00 0.00 177.57 176.84 1s3h n LEU 21 N -4.90 0.26 0.00 3.16 4.77 -1.25 -4.05 117.00 114.98 1s3h n LEU 21 Ca 0.28 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1s3h n LEU 21 Cb 0.80 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1s3h n LEU 21 CO 0.16 -0.21 0.00 -1.14 -1.33 0.00 0.00 177.39 174.86 1s3h n ARG 22 N -1.76 0.00 -0.18 3.23 0.00 0.12 -4.73 116.66 113.33 1s3h n ARG 22 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.94 1s3h n ARG 22 Cb 0.28 0.00 0.32 0.00 0.00 0.00 0.00 32.46 33.06 1s3h n ARG 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1s3h h ASP 23 N 0.00 0.73 0.06 6.15 -0.00 -1.79 -2.06 116.42 119.50 1s3h h ASP 23 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 57.04 1s3h h ASP 23 Cb 0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.14 1s3h h ASP 23 CO 0.00 0.49 -0.15 0.00 -0.00 0.00 0.00 179.24 179.59 1s3h h ALA 24 N 1.59 -0.22 0.00 -0.78 0.00 -1.66 0.41 119.26 118.59 1s3h h ALA 24 Ca 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1s3h h ALA 24 Cb 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1s3h h ALA 24 CO -0.08 -0.66 -0.20 1.12 0.00 0.00 0.00 179.25 179.42 1s3h h HIS 25 N -0.28 0.00 -0.03 0.00 2.07 -1.65 0.63 115.15 115.89 1s3h h HIS 25 Ca 0.03 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.46 1s3h h HIS 25 Cb 0.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 1s3h h HIS 25 CO -0.17 0.20 -0.42 0.37 -3.07 0.00 0.00 177.93 174.84 1s3h h GLN 26 N 0.00 0.06 0.00 5.12 4.15 -0.86 0.12 115.11 123.70 1s3h h GLN 26 Ca -0.00 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.12 1s3h h GLN 26 Cb 1.01 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1s3h h GLN 26 CO 0.03 0.47 -1.93 0.43 -1.93 0.00 0.00 178.83 175.89 1s3h n SER 27 N -4.03 0.47 -0.06 -0.69 7.64 0.09 -3.81 113.62 113.23 1s3h n SER 27 Ca -0.02 0.22 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 1s3h n SER 27 Cb 0.46 0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 64.06 1s3h n SER 27 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s3h n LEU 28 N -2.84 0.00 -2.70 -3.43 4.77 0.19 -4.65 117.00 108.33 1s3h n LEU 28 Ca -0.21 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.71 1s3h n LEU 28 Cb 1.01 0.27 0.04 0.00 -2.33 0.00 0.00 43.42 42.41 1s3h n LEU 28 CO 0.44 0.27 -0.07 1.15 -1.33 0.00 0.00 177.39 177.85 1s3h n MET 29 N -2.45 1.28 -4.24 3.23 0.00 0.23 -4.16 117.12 111.01 1s3h n MET 29 Ca -0.19 -3.25 -0.36 0.00 0.00 0.00 0.00 57.70 53.91 1s3h n MET 29 Cb 0.84 -1.27 -0.03 0.00 0.00 0.00 0.00 33.22 32.76 1s3h n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s3h n ALA 30 N -0.21 -1.35 -2.50 3.17 0.00 -1.08 -1.44 120.51 117.10 1s3h n ALA 30 Ca 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1s3h n ALA 30 Cb 0.82 -3.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 1s3h n ALA 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s3h n THR 31 N -4.36 -0.64 0.94 0.00 -1.04 -0.15 -4.82 114.28 104.20 1s3h n THR 31 Ca 0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 1s3h n THR 31 Cb 0.51 -1.82 0.30 0.00 -1.82 0.00 0.00 70.33 67.50 1s3h n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s3h n ARG 32 N -2.88 2.06 -1.66 -2.82 5.12 -0.52 -4.82 116.66 111.14 1s3h n ARG 32 Ca -0.14 -1.59 -0.47 0.00 -1.93 0.00 0.00 57.85 53.73 1s3h n ARG 32 Cb 0.61 -1.46 -0.04 0.00 -1.16 0.00 0.00 32.46 30.41 1s3h n ARG 32 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1s3h n MET 33 N 0.84 2.25 -2.18 5.56 1.56 -1.26 -4.72 117.12 119.17 1s3h n MET 33 Ca 0.17 0.80 -0.33 0.00 -0.27 0.00 0.00 57.70 58.08 1s3h n MET 33 Cb 0.46 -2.76 -0.00 0.00 2.15 0.00 0.00 33.22 33.07 1s3h n MET 33 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1s3h s ALA 34 N 4.72 2.82 0.30 -5.12 0.00 -1.26 -4.96 121.76 118.27 1s3h s ALA 34 Ca 0.94 0.37 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1s3h s ALA 34 Cb -0.62 -3.21 0.48 0.00 0.00 0.00 0.00 23.12 19.78 1s3h s ALA 34 CO 0.48 -0.63 1.72 1.98 0.00 0.00 0.00 175.76 179.31 1s3h h MET 35 N 0.67 0.26 0.00 0.00 4.05 -1.92 -2.46 114.93 115.53 1s3h h MET 35 Ca -0.47 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1s3h h MET 35 Cb 1.21 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1s3h h MET 35 CO 0.58 0.60 0.00 1.05 0.23 0.00 0.00 176.91 179.37 1s3h h GLU 36 N 0.22 0.00 -0.02 0.39 4.11 -1.95 -1.33 114.58 115.99 1s3h h GLU 36 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1s3h h GLU 36 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1s3h h GLU 36 CO 0.06 0.00 -0.02 -0.25 0.07 0.00 0.00 179.01 178.87 1s3h n ASP 37 N -2.43 2.06 -0.04 3.06 8.00 -0.93 -4.44 116.55 121.84 1s3h n ASP 37 Ca 0.02 -1.67 -0.07 0.00 0.71 0.00 0.00 54.79 53.78 1s3h n ASP 37 Cb 0.25 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1s3h n ASP 37 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1s3h n MET 38 N 0.59 0.18 -0.25 -1.24 2.81 -0.56 -4.73 117.12 113.92 1s3h n MET 38 Ca 0.17 0.06 0.28 0.00 -1.81 0.00 0.00 57.70 56.40 1s3h n MET 38 Cb 0.45 -0.97 0.66 0.00 -0.71 0.00 0.00 33.22 32.65 1s3h n MET 38 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1s3h h VAL 39 N -0.15 0.53 0.00 2.03 -1.51 -1.61 -0.36 116.25 115.18 1s3h h VAL 39 Ca -0.19 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1s3h h VAL 39 Cb 1.22 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1s3h h VAL 39 CO -0.08 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 176.90 1s3h n GLY 40 N -1.66 -0.40 0.01 5.19 0.00 -1.26 -2.20 105.19 104.87 1s3h n GLY 40 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1s3h n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3h n ALA 41 N -1.06 2.25 -0.31 4.61 0.00 -0.14 -4.70 120.51 121.15 1s3h n ALA 41 Ca 0.08 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1s3h n ALA 41 Cb 0.05 -0.06 0.29 0.00 0.00 0.00 0.00 19.45 19.72 1s3h n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s3h h ALA 43 N 1.55 0.01 -0.25 0.00 0.00 -1.77 -0.27 119.26 118.53 1s3h h ALA 43 Ca 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1s3h h ALA 43 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1s3h h ALA 43 CO -0.21 -0.38 0.09 -0.44 0.00 0.00 0.00 179.25 178.31 1s3h h ASP 44 N -0.22 0.35 -0.82 0.00 3.32 -1.72 -2.16 116.42 115.17 1s3h h ASP 44 Ca 0.00 -0.18 0.12 0.00 0.02 0.00 0.00 57.03 56.99 1s3h h ASP 44 Cb 0.23 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1s3h h ASP 44 CO 0.00 0.44 0.53 0.40 -1.72 0.00 0.00 179.24 178.90 1s3h h ILE 45 N 0.24 0.89 -0.08 0.35 2.04 -0.81 0.17 117.51 120.31 1s3h h ILE 45 Ca 0.08 -0.23 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1s3h h ILE 45 Cb 0.21 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1s3h h ILE 45 CO -0.00 0.12 -0.48 -0.78 0.00 0.00 0.00 178.15 177.01 1s3h h ASP 46 N 0.67 0.22 -0.05 1.72 3.58 -0.50 -2.87 116.42 119.19 1s3h h ASP 46 Ca 0.39 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1s3h h ASP 46 Cb 0.59 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1s3h h ASP 46 CO -0.16 0.66 0.00 0.00 -2.88 0.00 0.00 179.24 176.86 1s3h n ALA 47 N -2.47 2.49 -0.22 -0.78 0.00 -0.25 -4.42 120.51 114.85 1s3h n ALA 47 Ca -0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.71 1s3h n ALA 47 Cb 0.52 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1s3h n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s3h h ALA 48 N 4.58 0.82 0.00 0.00 0.00 -0.50 -3.44 119.26 120.71 1s3h h ALA 48 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s3h h ALA 48 Cb 0.85 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1s3h h ALA 48 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1s3h n GLY 49 N -0.74 1.73 3.77 0.00 0.00 -1.26 -1.12 105.19 107.56 1s3h n GLY 49 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1s3h n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3h s TYR 50 N -2.00 2.65 0.13 1.61 1.51 -1.26 -4.57 117.35 115.42 1s3h s TYR 50 Ca 0.00 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 57.51 1s3h s TYR 50 Cb 0.00 -3.26 -0.08 0.00 -0.11 0.00 0.00 41.96 38.51 1s3h s TYR 50 CO 0.00 -1.62 1.37 2.35 -1.11 0.00 0.00 175.55 176.54 1s3h h TRP 51 N 0.87 0.96 -3.27 2.71 7.01 -0.62 -3.46 115.95 120.14 1s3h h TRP 51 Ca -0.49 -0.40 -0.03 0.00 2.11 0.00 0.00 58.89 60.08 1s3h h TRP 51 Cb 1.26 -0.16 -0.12 0.00 -2.10 0.00 0.00 29.16 28.04 1s3h h TRP 51 CO 0.52 1.21 0.03 -1.54 -2.79 0.00 0.00 178.44 175.87 1s3h s SER 52 N -7.03 -0.31 -0.26 2.65 1.04 -1.24 -4.41 113.70 104.14 1s3h s SER 52 Ca -0.09 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1s3h s SER 52 Cb 0.10 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.83 1s3h s SER 52 CO 0.89 -0.96 0.00 -0.69 0.98 0.00 0.00 173.24 173.45 1s3h s VAL 53 N -3.82 1.34 -0.15 5.02 1.01 -0.14 -2.17 120.40 121.48 1s3h s VAL 53 Ca 0.05 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1s3h s VAL 53 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1s3h s VAL 53 CO -0.08 -0.29 1.47 -0.70 0.00 0.00 0.00 175.10 175.50 1s3h s GLU 54 N 1.45 4.10 0.00 2.72 2.12 -0.48 -1.51 118.70 127.10 1s3h s GLU 54 Ca -0.00 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.14 1s3h s GLU 54 Cb -0.18 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1s3h s GLU 54 CO -0.10 -0.90 0.55 0.00 -0.54 0.00 0.00 175.26 174.26 1s3h s TRP 56 N 0.00 0.52 0.00 0.00 -0.00 -1.21 -4.81 118.94 113.44 1s3h s TRP 56 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 56.10 55.14 1s3h s TRP 56 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.84 1s3h s TRP 56 CO 0.00 -1.30 0.00 0.41 -0.00 0.00 0.00 176.95 176.06 1s3h n GLY 57 N -0.52 -1.49 7.00 5.86 0.00 -1.26 -3.26 105.19 111.51 1s3h n GLY 57 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1s3h n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3h n GLY 58 N 0.00 1.61 0.49 -0.02 0.00 -0.65 -2.70 105.19 103.92 1s3h n GLY 58 Ca 0.00 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1s3h n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s3h n THR 59 N 0.00 0.00 0.06 2.61 -1.04 -1.26 -4.24 114.28 110.41 1s3h n THR 59 Ca 0.00 -0.25 -0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1s3h n THR 59 Cb 0.00 0.58 0.30 0.00 -1.82 0.00 0.00 70.33 69.39 1s3h n THR 59 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s3h h THR 60 N 2.38 1.22 0.24 12.58 1.35 -1.87 -0.74 112.91 128.07 1s3h h THR 60 Ca 0.00 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 1s3h h THR 60 Cb 0.55 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1s3h h THR 60 CO 0.00 0.32 -0.12 0.22 -0.25 0.00 0.00 175.52 175.69 1s3h h TYR 61 N 0.34 -0.30 0.24 4.73 3.20 -1.77 0.46 116.97 123.87 1s3h h TYR 61 Ca 0.06 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1s3h h TYR 61 Cb 0.49 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1s3h h TYR 61 CO 0.01 -0.12 -0.29 0.22 -1.64 0.00 0.00 178.16 176.34 1s3h h ASP 62 N -0.41 -0.78 -0.79 -2.11 3.58 -1.79 -2.59 116.42 111.52 1s3h h ASP 62 Ca -0.03 0.08 0.11 0.00 0.42 0.00 0.00 57.03 57.60 1s3h h ASP 62 Cb 0.31 0.28 -0.08 0.00 1.72 0.00 0.00 39.33 41.56 1s3h h ASP 62 CO 0.05 -0.40 0.42 -1.28 -2.88 0.00 0.00 179.24 175.15 1s3h h SER 63 N -0.58 0.55 0.60 2.28 0.87 -1.05 0.26 113.55 116.48 1s3h h SER 63 Ca 0.00 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1s3h h SER 63 Cb 0.55 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1s3h h SER 63 CO -0.09 0.29 -0.40 0.00 -0.53 0.00 0.00 176.83 176.10 1s3h h ILE 65 N -0.95 1.01 0.18 0.00 3.07 -1.12 -0.63 117.51 119.06 1s3h h ILE 65 Ca -0.07 -2.16 -0.35 0.00 1.55 0.00 0.00 64.86 63.83 1s3h h ILE 65 Cb 0.78 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 39.65 1s3h h ILE 65 CO 0.05 0.52 -1.79 -0.09 -1.05 0.00 0.00 178.15 175.80 1s3h h ARG 66 N 0.00 0.37 0.00 0.16 2.43 -0.44 -3.39 114.38 113.51 1s3h h ARG 66 Ca -0.01 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1s3h h ARG 66 Cb 1.27 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1s3h h ARG 66 CO 0.07 1.30 -0.79 1.19 -1.51 0.00 0.00 179.97 180.23 1s3h n PHE 67 N -3.57 0.00 0.34 2.20 0.99 0.07 -4.76 117.46 112.74 1s3h n PHE 67 Ca -0.26 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.23 1s3h n PHE 67 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.56 1s3h n PHE 67 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1s3h n LEU 68 N -1.39 1.15 -3.81 4.37 4.77 -0.97 -4.78 117.00 116.34 1s3h n LEU 68 Ca 0.00 -0.80 -0.28 0.00 -0.03 0.00 0.00 56.01 54.90 1s3h n LEU 68 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1s3h n LEU 68 CO 0.00 0.24 0.16 -3.20 -1.33 0.00 0.00 177.39 173.25 1s3h n ASN 69 N -0.19 -5.39 -4.40 -1.43 5.15 -0.38 -0.42 115.26 108.18 1s3h n ASN 69 Ca 0.03 -0.70 -0.31 0.00 -0.60 0.00 0.00 54.58 53.01 1s3h n ASN 69 Cb 0.17 -4.28 -0.14 0.00 -0.53 0.00 0.00 39.78 35.00 1s3h n ASN 69 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s3h s GLU 70 N -6.52 2.05 -0.38 1.20 2.12 -0.41 -3.48 118.70 113.27 1s3h s GLU 70 Ca 0.64 -0.98 -0.22 0.00 0.36 0.00 0.00 54.97 54.77 1s3h s GLU 70 Cb -0.31 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 31.97 1s3h s GLU 70 CO 0.80 0.54 0.74 0.34 -0.54 0.00 0.00 175.26 177.14 1s3h s ASP 71 N -1.17 6.48 0.28 -1.70 -1.08 -1.26 -3.13 116.67 115.09 1s3h s ASP 71 Ca 0.13 0.17 0.03 0.00 -0.52 0.00 0.00 52.55 52.35 1s3h s ASP 71 Cb -0.10 -2.37 0.69 0.00 -1.46 0.00 0.00 42.92 39.68 1s3h s ASP 71 CO 0.03 -0.74 1.69 -0.65 0.52 0.00 0.00 175.17 176.02 1s3h h PRO 72 N 8.61 0.36 -0.84 4.34 0.11 -1.92 0.20 132.00 142.86 1s3h h PRO 72 Ca -0.25 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1s3h h PRO 72 Cb 1.10 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1s3h h PRO 72 CO 0.90 0.24 0.50 -1.49 -0.21 0.00 0.00 178.00 177.94 1s3h h TRP 73 N 0.37 1.13 -0.45 0.65 4.06 -1.98 0.31 115.95 120.04 1s3h h TRP 73 Ca 0.54 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.41 1s3h h TRP 73 Cb 1.02 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1s3h h TRP 73 CO -0.16 0.76 -0.02 1.49 -3.56 0.00 0.00 178.44 176.95 1s3h h GLU 74 N 1.16 0.76 -0.60 0.49 4.57 -1.04 -0.60 114.58 119.32 1s3h h GLU 74 Ca 0.30 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1s3h h GLU 74 Cb -0.02 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1s3h h GLU 74 CO -0.05 0.78 0.11 -0.09 -1.18 0.00 0.00 179.01 178.57 1s3h h ARG 75 N 0.70 0.95 -0.30 1.92 2.43 -0.31 -0.97 114.38 118.81 1s3h h ARG 75 Ca 0.14 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1s3h h ARG 75 Cb 0.47 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1s3h h ARG 75 CO 0.02 0.88 -0.24 1.25 -1.51 0.00 0.00 179.97 180.37 1s3h h LEU 76 N 0.90 0.59 -0.41 3.80 5.85 -0.24 -2.18 115.31 123.64 1s3h h LEU 76 Ca 0.19 -0.21 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 1s3h h LEU 76 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1s3h h LEU 76 CO 0.01 0.83 -0.75 0.03 -0.34 0.00 0.00 178.44 178.22 1s3h h ARG 77 N 0.52 0.35 -0.26 1.25 3.08 -0.67 -1.94 114.38 116.71 1s3h h ARG 77 Ca 0.07 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1s3h h ARG 77 Cb 0.69 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1s3h h ARG 77 CO 0.05 0.95 -0.23 1.15 -1.07 0.00 0.00 179.97 180.82 1s3h h THR 78 N 0.23 1.31 -0.51 2.04 2.02 -1.06 -2.00 112.91 114.94 1s3h h THR 78 Ca -0.03 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1s3h h THR 78 Cb 1.32 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 1s3h h THR 78 CO 0.12 0.44 0.30 -0.26 0.37 0.00 0.00 175.52 176.49 1s3h h PHE 79 N 0.34 0.69 -0.56 3.16 0.05 -1.39 0.51 116.94 119.73 1s3h h PHE 79 Ca 0.05 -0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.90 1s3h h PHE 79 Cb 0.79 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.48 1s3h h PHE 79 CO 0.07 0.49 0.38 -0.09 -0.18 0.00 0.00 178.31 178.98 1s3h h ARG 80 N 0.68 0.46 0.20 1.51 9.65 -1.25 0.35 114.38 125.98 1s3h h ARG 80 Ca 0.18 -0.03 -0.34 0.00 -1.10 0.00 0.00 59.98 58.70 1s3h h ARG 80 Cb 0.01 -0.10 0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1s3h h ARG 80 CO -0.03 0.30 -1.62 -0.22 2.80 0.00 0.00 179.97 181.20 1s3h h LYS 81 N 0.47 0.41 0.00 0.20 3.64 -0.46 -3.26 116.57 117.58 1s3h h LYS 81 Ca 0.25 -0.71 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 1s3h h LYS 81 Cb 0.38 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1s3h h LYS 81 CO -0.07 1.34 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.91 1s3h h LEU 82 N 0.06 0.00 -5.75 5.20 3.38 0.36 -3.34 115.31 115.22 1s3h h LEU 82 Ca -0.31 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.07 1s3h h LEU 82 Cb 2.07 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 42.40 1s3h h LEU 82 CO 0.19 0.46 -0.65 0.23 0.09 0.00 0.00 178.44 178.76 1s3h n MET 83 N -3.29 2.78 -0.05 1.13 2.81 0.12 -4.37 117.12 116.25 1s3h n MET 83 Ca 0.01 -4.69 0.07 0.00 -1.81 0.00 0.00 57.70 51.29 1s3h n MET 83 Cb 0.68 -2.20 0.44 0.00 -0.71 0.00 0.00 33.22 31.43 1s3h n MET 83 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1s3h h PRO 84 N 3.56 0.51 -0.03 0.03 0.13 -1.69 -2.85 132.00 131.65 1s3h h PRO 84 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1s3h h PRO 84 Cb 0.60 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1s3h h PRO 84 CO 0.81 0.34 0.00 0.09 -0.23 0.00 0.00 178.00 179.00 1s3h n ASN 85 N -4.47 2.11 -4.93 1.44 3.02 -1.26 -4.95 115.26 106.21 1s3h n ASN 85 Ca 0.06 -1.70 -0.27 0.00 -0.03 0.00 0.00 54.58 52.64 1s3h n ASN 85 Cb 0.19 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1s3h n ASN 85 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1s3h s SER 86 N -1.98 6.37 -0.39 6.41 0.01 -1.08 -5.05 113.70 117.99 1s3h s SER 86 Ca 0.34 0.31 -0.25 0.00 1.31 0.00 0.00 55.95 57.66 1s3h s SER 86 Cb 0.21 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.48 1s3h s SER 86 CO 0.32 0.01 0.87 -0.13 0.41 0.00 0.00 173.24 174.72 1s3h s ARG 87 N -3.21 3.71 0.30 12.44 0.52 -1.26 -5.00 118.95 126.46 1s3h s ARG 87 Ca 0.37 0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 55.67 1s3h s ARG 87 Cb -0.11 -3.84 -0.10 0.00 0.52 0.00 0.00 34.95 31.42 1s3h s ARG 87 CO 0.29 -0.98 0.91 -0.51 0.02 0.00 0.00 175.30 175.03 1s3h s LEU 88 N 3.39 4.36 0.08 2.53 1.43 -1.26 -0.97 118.68 128.24 1s3h s LEU 88 Ca 0.35 1.79 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 1s3h s LEU 88 Cb -0.12 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1s3h s LEU 88 CO 0.20 -0.04 -0.13 -1.58 0.23 0.00 0.00 176.35 175.04 1s3h s GLN 89 N -1.98 0.82 0.18 1.70 0.74 -0.57 -0.25 119.66 120.30 1s3h s GLN 89 Ca 0.48 -1.01 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 1s3h s GLN 89 Cb -0.19 -0.73 -0.03 0.00 1.10 0.00 0.00 33.01 33.17 1s3h s GLN 89 CO 0.24 0.15 0.20 0.00 -0.55 0.00 0.00 175.29 175.33 1s3h s MET 90 N -2.05 1.16 -0.20 1.67 0.23 -0.74 -1.48 119.30 117.89 1s3h s MET 90 Ca 0.00 -1.41 -0.02 0.00 -1.03 0.00 0.00 55.69 53.23 1s3h s MET 90 Cb -0.08 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.54 1s3h s MET 90 CO 0.02 -0.40 -0.08 -1.17 -2.03 0.00 0.00 175.02 171.35 1s3h s LEU 91 N -3.06 2.72 -0.08 0.18 2.96 -1.20 -1.18 118.68 119.02 1s3h s LEU 91 Ca 0.27 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1s3h s LEU 91 Cb 0.05 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1s3h s LEU 91 CO 0.06 0.01 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.76 1s3h s LEU 92 N 1.30 1.51 -1.27 -0.68 2.96 -0.34 -1.63 118.68 120.53 1s3h s LEU 92 Ca 0.04 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1s3h s LEU 92 Cb -0.14 -0.85 0.17 0.00 0.50 0.00 0.00 46.19 45.87 1s3h s LEU 92 CO -0.04 -0.02 1.86 -1.14 -1.32 0.00 0.00 176.35 175.69 1s3h n ARG 93 N 4.19 3.66 0.00 1.98 0.63 -0.92 -1.83 116.66 124.37 1s3h n ARG 93 Ca -0.20 -3.57 0.00 0.00 -0.92 0.00 0.00 57.85 53.16 1s3h n ARG 93 Cb 0.51 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1s3h n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s3h n GLY 94 N 2.74 2.19 0.07 5.14 0.00 -0.63 -0.70 105.19 114.00 1s3h n GLY 94 Ca 0.39 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.72 1s3h n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1s3h n GLN 95 N 13.61 0.10 0.01 1.61 -0.06 -0.00 -1.28 117.38 131.36 1s3h n GLN 95 Ca 0.00 0.36 0.12 0.00 -2.00 0.00 0.00 57.00 55.48 1s3h n GLN 95 Cb 0.00 -1.70 0.22 0.00 -4.06 0.00 0.00 30.24 24.70 1s3h n GLN 95 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1s3h n ASN 96 N -1.89 0.54 0.00 1.69 4.13 0.12 -1.63 115.26 118.22 1s3h n ASN 96 Ca 0.02 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.06 1s3h n ASN 96 Cb 0.18 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 1s3h n ASN 96 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1s3h n LEU 97 N -1.60 0.00 -0.97 3.41 4.77 -0.40 0.06 117.00 122.26 1s3h n LEU 97 Ca 0.05 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1s3h n LEU 97 Cb 0.35 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.71 1s3h n LEU 97 CO 0.36 0.00 0.72 0.18 -1.33 0.00 0.00 177.39 177.32 1s3h n LEU 98 N 0.00 4.02 0.00 2.23 4.77 -1.26 -2.17 117.00 124.59 1s3h n LEU 98 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1s3h n LEU 98 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1s3h n LEU 98 CO 0.00 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1s3h n GLY 99 N -0.37 0.38 0.86 -0.72 0.00 0.11 -4.89 105.19 100.55 1s3h n GLY 99 Ca 0.22 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.46 1s3h n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s3h n TYR 100 N -1.21 0.12 -3.83 1.61 0.18 -1.26 -5.00 117.16 107.77 1s3h n TYR 100 Ca 0.00 -0.07 -0.08 0.00 1.88 0.00 0.00 57.90 59.63 1s3h n TYR 100 Cb 0.00 -0.00 0.01 0.00 -0.38 0.00 0.00 39.34 38.97 1s3h n TYR 100 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 1s3h s ARG 101 N -1.59 2.03 0.44 -3.48 1.70 -1.26 -5.14 118.95 111.65 1s3h s ARG 101 Ca 0.26 -1.25 -0.23 0.00 -0.47 0.00 0.00 55.73 54.04 1s3h s ARG 101 Cb 0.18 0.60 -0.08 0.00 -0.57 0.00 0.00 34.95 35.08 1s3h s ARG 101 CO 0.26 -0.95 1.09 -1.01 -1.08 0.00 0.00 175.30 173.61 1s3h s HIS 102 N -2.82 3.06 0.16 5.89 3.76 -1.26 -4.31 115.29 119.77 1s3h s HIS 102 Ca 0.14 1.59 0.09 0.00 -0.15 0.00 0.00 55.06 56.73 1s3h s HIS 102 Cb -0.05 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1s3h s HIS 102 CO 0.10 -1.00 -0.19 0.71 -0.85 0.00 0.00 174.74 173.51 1s3h s TYR 103 N -1.68 1.86 0.56 1.40 1.51 -0.65 -4.97 117.35 115.37 1s3h s TYR 103 Ca 0.62 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 56.02 1s3h s TYR 103 Cb -0.23 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1s3h s TYR 103 CO 0.28 0.33 1.33 -1.71 -1.11 0.00 0.00 175.55 174.67 1s3h n ASN 104 N 0.36 2.50 -0.33 2.29 2.85 -1.26 -4.82 115.26 116.85 1s3h n ASN 104 Ca -0.14 0.95 0.23 0.00 -0.11 0.00 0.00 54.58 55.52 1s3h n ASN 104 Cb 0.57 -1.56 0.47 0.00 1.24 0.00 0.00 39.78 40.49 1s3h n ASN 104 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1s3h h ASP 105 N 1.26 0.49 -0.18 1.20 3.32 -1.90 0.81 116.42 121.42 1s3h h ASP 105 Ca -0.51 0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.79 1s3h h ASP 105 Cb 1.31 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1s3h h ASP 105 CO 0.56 -0.14 0.13 1.05 -1.72 0.00 0.00 179.24 179.12 1s3h h GLU 106 N 0.32 0.01 -0.08 3.56 4.11 -1.97 0.38 114.58 120.92 1s3h h GLU 106 Ca 0.73 -0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.94 1s3h h GLU 106 Cb 1.65 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1s3h h GLU 106 CO -0.61 0.01 -0.82 0.28 0.07 0.00 0.00 179.01 177.93 1s3h h VAL 107 N 0.01 1.34 -0.02 -1.06 2.07 -1.16 -2.97 116.25 114.45 1s3h h VAL 107 Ca 0.08 -2.16 -0.00 0.00 0.82 0.00 0.00 66.70 65.45 1s3h h VAL 107 Cb 0.33 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1s3h h VAL 107 CO -0.00 0.66 0.01 0.58 0.02 0.00 0.00 177.57 178.84 1s3h h VAL 108 N 0.37 1.07 -0.50 2.57 2.07 -0.98 -0.95 116.25 119.90 1s3h h VAL 108 Ca -0.06 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1s3h h VAL 108 Cb 1.44 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 32.29 1s3h h VAL 108 CO 0.15 0.06 -0.25 0.44 0.02 0.00 0.00 177.57 177.99 1s3h h ASP 109 N -0.06 -0.86 -0.16 0.57 3.32 -1.19 -0.73 116.42 117.31 1s3h h ASP 109 Ca 0.01 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1s3h h ASP 109 Cb 0.09 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1s3h h ASP 109 CO -0.00 -0.27 0.06 0.03 -1.72 0.00 0.00 179.24 177.34 1s3h h ARG 110 N -0.14 0.24 -0.26 3.56 3.08 -1.34 -0.15 114.38 119.38 1s3h h ARG 110 Ca 0.23 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1s3h h ARG 110 Cb 0.50 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1s3h h ARG 110 CO -0.58 0.35 0.01 0.35 -1.07 0.00 0.00 179.97 179.03 1s3h h PHE 111 N 0.09 0.01 0.17 3.04 3.57 -0.49 0.13 116.94 123.46 1s3h h PHE 111 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1s3h h PHE 111 Cb 0.20 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1s3h h PHE 111 CO -0.01 -0.03 -0.08 0.28 -2.23 0.00 0.00 178.31 176.24 1s3h h VAL 112 N 0.09 0.86 -0.61 1.41 2.07 -1.08 -1.22 116.25 117.76 1s3h h VAL 112 Ca 0.12 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1s3h h VAL 112 Cb 0.15 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1s3h h VAL 112 CO -0.20 0.03 -0.46 -0.78 0.02 0.00 0.00 177.57 176.18 1s3h h ASP 113 N -0.29 -1.58 -0.33 0.57 1.82 -0.51 0.13 116.42 116.23 1s3h h ASP 113 Ca -0.02 0.26 -0.07 0.00 -0.39 0.00 0.00 57.03 56.81 1s3h h ASP 113 Cb 0.22 0.71 -0.02 0.00 0.68 0.00 0.00 39.33 40.93 1s3h h ASP 113 CO 0.04 -0.33 -0.01 0.11 -1.61 0.00 0.00 179.24 177.44 1s3h h LYS 114 N -0.22 0.69 0.01 0.28 1.79 -0.66 0.49 116.57 118.95 1s3h h LYS 114 Ca 0.17 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s3h h LYS 114 Cb 0.56 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1s3h h LYS 114 CO -0.71 0.71 -0.00 0.77 -1.08 0.00 0.00 179.45 179.13 1s3h h SER 115 N 0.65 -0.01 -0.00 0.86 0.02 0.21 0.13 113.55 115.40 1s3h h SER 115 Ca 0.13 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1s3h h SER 115 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1s3h h SER 115 CO 0.02 0.08 -0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1s3h h ALA 116 N 0.88 -0.00 -0.24 3.77 0.00 -0.63 -0.16 119.26 122.88 1s3h h ALA 116 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s3h h ALA 116 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s3h h ALA 116 CO 0.00 -0.50 0.16 1.49 0.00 0.00 0.00 179.25 180.40 1s3h h GLU 117 N -0.01 0.22 -0.39 0.00 4.81 -0.76 0.83 114.58 119.29 1s3h h GLU 117 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s3h h GLU 117 Cb 0.01 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1s3h h GLU 117 CO -0.01 0.15 0.00 0.09 -0.73 0.00 0.00 179.01 178.51 1s3h n ASN 118 N -4.50 2.30 0.00 1.04 3.02 0.43 -4.92 115.26 112.63 1s3h n ASN 118 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1s3h n ASN 118 Cb 0.15 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1s3h n ASN 118 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3h n GLY 119 N 1.21 1.03 3.75 7.41 0.00 0.29 -4.47 105.19 114.40 1s3h n GLY 119 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1s3h n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s3h s MET 120 N -0.26 4.35 -0.13 1.61 0.00 -0.12 -4.71 119.30 120.04 1s3h s MET 120 Ca 0.00 2.17 -0.02 0.00 0.00 0.00 0.00 55.69 57.85 1s3h s MET 120 Cb 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 34.83 31.62 1s3h s MET 120 CO 0.00 -0.27 -0.14 -0.25 0.00 0.00 0.00 175.02 174.36 1s3h n ASP 121 N 1.97 2.36 -4.17 1.11 8.00 -1.04 -4.40 116.55 120.38 1s3h n ASP 121 Ca 0.04 0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.21 1s3h n ASP 121 Cb 0.42 -0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 1s3h n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s3h s VAL 122 N -2.26 2.40 -0.32 2.53 1.01 0.65 -1.88 120.40 122.53 1s3h s VAL 122 Ca -0.18 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1s3h s VAL 122 Cb 0.05 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1s3h s VAL 122 CO 0.29 0.51 0.15 -0.36 0.00 0.00 0.00 175.10 175.68 1s3h s PHE 123 N 1.32 3.19 -0.68 5.22 0.40 -0.53 -1.79 117.98 125.10 1s3h s PHE 123 Ca 0.05 -0.78 -0.20 0.00 -0.60 0.00 0.00 56.93 55.40 1s3h s PHE 123 Cb -0.13 -2.35 0.11 0.00 0.51 0.00 0.00 43.02 41.15 1s3h s PHE 123 CO -0.10 -0.54 0.85 0.50 0.70 0.00 0.00 175.22 176.63 1s3h s ARG 124 N 1.57 3.19 -0.02 0.44 3.52 -0.33 -1.28 118.95 126.03 1s3h s ARG 124 Ca 0.03 -1.32 -0.20 0.00 -0.13 0.00 0.00 55.73 54.11 1s3h s ARG 124 Cb -0.18 -4.37 -0.05 0.00 -1.56 0.00 0.00 34.95 28.79 1s3h s ARG 124 CO 0.05 -1.65 0.58 0.08 -0.81 0.00 0.00 175.30 173.56 1s3h s VAL 125 N 2.94 4.96 0.23 7.11 1.01 -0.54 -1.19 120.40 134.92 1s3h s VAL 125 Ca 0.18 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 1s3h s VAL 125 Cb -0.18 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1s3h s VAL 125 CO 0.04 0.40 0.41 0.72 0.00 0.00 0.00 175.10 176.67 1s3h s PHE 126 N -0.02 0.45 -0.02 5.22 -0.12 -0.76 -1.07 117.98 121.65 1s3h s PHE 126 Ca 0.31 -0.79 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 1s3h s PHE 126 Cb -0.18 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 1s3h s PHE 126 CO 0.16 -0.91 0.04 0.34 -0.05 0.00 0.00 175.22 174.80 1s3h s ASP 127 N -3.02 0.02 0.31 1.98 2.15 -1.26 -1.60 116.67 115.24 1s3h s ASP 127 Ca 0.23 0.07 0.01 0.00 0.43 0.00 0.00 52.55 53.29 1s3h s ASP 127 Cb 0.01 -0.00 0.53 0.00 -0.30 0.00 0.00 42.92 43.16 1s3h s ASP 127 CO 0.08 -0.09 1.92 0.00 -0.17 0.00 0.00 175.17 176.91 1s3h h ALA 128 N 6.88 1.51 -0.00 3.66 0.00 -1.95 -0.59 119.26 128.77 1s3h h ALA 128 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s3h h ALA 128 Cb 1.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1s3h h ALA 128 CO 0.48 0.37 -0.19 -1.33 0.00 0.00 0.00 179.25 178.58 1s3h n MET 129 N -4.48 0.26 -2.45 0.00 2.81 -1.26 -3.95 117.12 108.05 1s3h n MET 129 Ca 0.13 -0.09 -0.13 0.00 -1.81 0.00 0.00 57.70 55.80 1s3h n MET 129 Cb 0.17 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.19 1s3h n MET 129 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1s3h n ASN 130 N -1.30 -4.19 -4.41 7.83 3.02 -0.23 -4.34 115.26 111.65 1s3h n ASN 130 Ca 0.09 -0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 1s3h n ASN 130 Cb 0.32 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 36.20 1s3h n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s3h s ASP 131 N -2.59 6.18 0.57 6.41 -1.08 -1.26 -4.92 116.67 119.98 1s3h s ASP 131 Ca 0.08 -1.25 0.32 0.00 -0.52 0.00 0.00 52.55 51.18 1s3h s ASP 131 Cb -0.04 -2.35 1.41 0.00 -1.46 0.00 0.00 42.92 40.49 1s3h s ASP 131 CO 0.10 -1.25 1.74 -0.65 0.52 0.00 0.00 175.17 175.63 1s3h h PRO 132 N 9.35 0.00 0.00 4.34 0.11 -1.95 0.18 132.00 144.03 1s3h h PRO 132 Ca -0.29 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1s3h h PRO 132 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s3h h PRO 132 CO 1.14 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 178.51 1s3h h ARG 133 N 0.00 0.00 0.00 1.05 3.08 -2.00 -0.28 114.38 116.23 1s3h h ARG 133 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1s3h h ARG 133 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1s3h h ARG 133 CO -0.00 0.42 0.00 -0.91 -1.07 0.00 0.00 179.97 178.40 1s3h h ASN 134 N 0.00 0.00 0.31 7.04 2.35 -1.04 -3.19 115.58 121.05 1s3h h ASN 134 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1s3h h ASN 134 Cb 0.80 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 1s3h h ASN 134 CO 0.05 0.00 -1.84 0.23 -1.65 0.00 0.00 177.43 174.23 1s3h n MET 135 N -2.74 0.65 -0.22 0.81 2.81 -0.85 -0.82 117.12 116.76 1s3h n MET 135 Ca 0.04 0.03 -0.07 0.00 -1.81 0.00 0.00 57.70 55.88 1s3h n MET 135 Cb 0.46 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1s3h n MET 135 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s3h h ALA 136 N 1.52 -0.40 -0.52 3.04 0.00 -1.06 -1.22 119.26 120.61 1s3h h ALA 136 Ca -0.21 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1s3h h ALA 136 Cb 1.56 1.18 -0.02 0.00 0.00 0.00 0.00 17.79 20.50 1s3h h ALA 136 CO 0.02 -0.64 -0.01 1.25 0.00 0.00 0.00 179.25 179.87 1s3h h HIS 137 N -0.06 0.97 -0.41 0.00 6.17 -1.82 -2.21 115.15 117.79 1s3h h HIS 137 Ca 0.09 -0.15 0.04 0.00 0.71 0.00 0.00 60.37 61.05 1s3h h HIS 137 Cb 0.28 -0.26 -0.04 0.00 2.52 0.00 0.00 27.41 29.92 1s3h h HIS 137 CO -0.92 0.88 0.18 0.00 0.71 0.00 0.00 177.93 178.78 1s3h h ALA 138 N 1.15 0.49 -0.50 5.26 0.00 -1.70 -0.81 119.26 123.16 1s3h h ALA 138 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1s3h h ALA 138 Cb 0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1s3h h ALA 138 CO 0.03 -0.20 0.23 0.52 0.00 0.00 0.00 179.25 179.83 1s3h h MET 139 N 0.36 0.43 0.17 0.00 2.86 -0.92 -1.56 114.93 116.27 1s3h h MET 139 Ca 0.18 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1s3h h MET 139 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1s3h h MET 139 CO -0.15 0.28 -0.16 0.00 1.06 0.00 0.00 176.91 177.95 1s3h h ALA 140 N 1.29 -0.32 -0.85 6.32 0.00 -0.75 -1.20 119.26 123.75 1s3h h ALA 140 Ca 0.23 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1s3h h ALA 140 Cb 0.17 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1s3h h ALA 140 CO -0.18 -0.70 0.46 0.00 0.00 0.00 0.00 179.25 178.83 1s3h h ALA 141 N 0.45 1.26 -0.14 0.00 0.00 -0.81 0.21 119.26 120.23 1s3h h ALA 141 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s3h h ALA 141 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s3h h ALA 141 CO -0.03 -0.01 0.08 0.28 0.00 0.00 0.00 179.25 179.57 1s3h h VAL 142 N 0.70 1.07 -0.55 0.00 2.07 -0.69 -1.35 116.25 117.49 1s3h h VAL 142 Ca 0.44 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 1s3h h VAL 142 Cb 0.55 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1s3h h VAL 142 CO -0.32 0.06 0.33 0.11 0.02 0.00 0.00 177.57 177.77 1s3h h LYS 143 N 0.15 0.76 -0.69 1.57 1.79 -0.12 -1.37 116.57 118.66 1s3h h LYS 143 Ca 0.05 -0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1s3h h LYS 143 Cb 0.03 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 30.44 1s3h h LYS 143 CO -0.01 0.56 0.25 -0.22 -1.08 0.00 0.00 179.45 178.95 1s3h h LYS 144 N 0.75 0.39 -0.16 3.15 3.64 -0.23 0.40 116.57 124.51 1s3h h LYS 144 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1s3h h LYS 144 Cb -0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1s3h h LYS 144 CO -0.04 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.40 1s3h n ALA 145 N -2.52 2.43 -1.77 5.00 0.00 -0.55 -4.85 120.51 118.25 1s3h n ALA 145 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1s3h n ALA 145 Cb 0.36 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1s3h n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3h n GLY 146 N 0.36 1.15 3.97 0.00 0.00 0.14 -5.00 105.19 105.81 1s3h n GLY 146 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1s3h n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3h s LYS 147 N -3.94 2.73 -0.18 1.61 -0.14 -0.56 -5.01 119.74 114.25 1s3h s LYS 147 Ca 0.00 -1.34 -0.29 0.00 -1.36 0.00 0.00 55.97 52.98 1s3h s LYS 147 Cb 0.00 -2.63 -0.00 0.00 -1.68 0.00 0.00 37.83 33.51 1s3h s LYS 147 CO 0.00 -0.25 1.08 -1.58 -0.76 0.00 0.00 175.35 173.84 1s3h s HIS 148 N -2.39 3.29 -0.34 3.18 5.04 -0.79 -4.20 115.29 119.09 1s3h s HIS 148 Ca 0.53 1.41 -0.12 0.00 -1.54 0.00 0.00 55.06 55.34 1s3h s HIS 148 Cb -0.08 -3.30 -0.01 0.00 0.04 0.00 0.00 32.58 29.24 1s3h s HIS 148 CO 0.31 -0.66 0.21 0.00 -2.34 0.00 0.00 174.74 172.27 1s3h s ALA 149 N 2.94 3.41 -0.37 1.58 0.00 -1.26 -1.46 121.76 126.61 1s3h s ALA 149 Ca 0.47 -1.43 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1s3h s ALA 149 Cb -0.17 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.42 1s3h s ALA 149 CO 0.11 -1.01 0.16 -1.14 0.00 0.00 0.00 175.76 173.88 1s3h s GLN 150 N 1.67 2.60 0.25 0.00 0.74 -0.40 0.10 119.66 124.62 1s3h s GLN 150 Ca 0.05 -1.28 -0.30 0.00 0.05 0.00 0.00 55.36 53.89 1s3h s GLN 150 Cb -0.17 -3.57 -0.09 0.00 1.10 0.00 0.00 33.01 30.27 1s3h s GLN 150 CO 0.09 -0.77 1.14 0.20 -0.55 0.00 0.00 175.29 175.40 1s3h s GLY 151 N 1.62 2.95 -0.06 2.59 0.00 -0.57 -1.46 107.32 112.40 1s3h s GLY 151 Ca 0.00 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.69 1s3h s GLY 151 CO 0.03 1.63 -0.14 -1.59 0.00 0.00 0.00 173.10 173.03 1s3h s THR 152 N -0.80 3.07 -0.33 0.90 2.01 -0.23 0.56 115.64 120.82 1s3h s THR 152 Ca 0.47 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1s3h s THR 152 Cb -0.32 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.03 1s3h s THR 152 CO 0.40 0.59 0.07 -0.63 -0.69 0.00 0.00 174.62 174.36 1s3h s ILE 153 N -0.64 3.31 -0.44 1.82 1.01 0.03 -4.62 121.20 121.67 1s3h s ILE 153 Ca 0.10 -1.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.04 1s3h s ILE 153 Cb -0.11 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1s3h s ILE 153 CO 0.01 -0.23 1.30 0.00 0.00 0.00 0.00 174.94 176.02 1s3h s TYR 155 N 5.06 2.51 0.01 0.00 5.04 -1.26 -4.92 117.35 123.79 1s3h s TYR 155 Ca 0.56 1.56 -0.29 0.00 -2.44 0.00 0.00 57.07 56.46 1s3h s TYR 155 Cb -0.11 -3.24 0.11 0.00 0.35 0.00 0.00 41.96 39.07 1s3h s TYR 155 CO 0.32 -1.87 1.17 -0.08 -1.34 0.00 0.00 175.55 173.76 1s3h s THR 156 N -2.21 0.00 -0.15 4.34 -1.32 -1.26 -4.77 115.64 110.27 1s3h s THR 156 Ca 0.69 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 1s3h s THR 156 Cb -0.23 -1.84 -0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1s3h s THR 156 CO 0.41 0.00 -0.15 -0.63 -2.21 0.00 0.00 174.62 172.03 1s3h s ILE 157 N -2.68 2.69 0.10 5.08 1.01 -1.26 -4.95 121.20 121.19 1s3h s ILE 157 Ca 0.13 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 1s3h s ILE 157 Cb 0.02 -2.13 0.08 0.00 0.01 0.00 0.00 42.46 40.44 1s3h s ILE 157 CO -0.03 0.52 0.75 -0.94 0.00 0.00 0.00 174.94 175.24 1s3h s SER 158 N 0.71 -0.44 0.13 3.58 1.04 -1.26 -5.00 113.70 112.45 1s3h s SER 158 Ca -0.07 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.39 1s3h s SER 158 Cb -0.16 0.51 0.48 0.00 0.10 0.00 0.00 66.02 66.95 1s3h s SER 158 CO 0.01 -0.84 1.27 -2.65 0.98 0.00 0.00 173.24 172.02 1s3h n PRO 159 N -0.33 0.06 0.00 4.02 -0.02 -1.26 -1.70 135.00 135.77 1s3h n PRO 159 Ca -0.12 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1s3h n PRO 159 Cb 0.63 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.44 1s3h n PRO 159 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1s3h n VAL 160 N -1.80 0.00 -3.39 -1.45 0.24 -1.26 -4.94 118.33 105.72 1s3h n VAL 160 Ca -0.00 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.34 61.42 1s3h n VAL 160 Cb 0.02 1.07 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 1s3h n VAL 160 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1s3h s HIS 161 N -0.52 3.26 0.16 6.34 3.76 -0.69 -4.91 115.29 122.69 1s3h s HIS 161 Ca 0.04 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1s3h s HIS 161 Cb 0.03 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 1s3h s HIS 161 CO 0.07 -0.20 -0.00 0.95 -0.85 0.00 0.00 174.74 174.71 1s3h s THR 162 N 1.96 0.61 0.17 1.30 -4.23 -1.26 -4.62 115.64 109.56 1s3h s THR 162 Ca 0.16 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.54 1s3h s THR 162 Cb -0.16 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.73 1s3h s THR 162 CO 0.09 -0.54 1.69 0.58 -0.54 0.00 0.00 174.62 175.91 1s3h h VAL 163 N 2.76 0.66 -0.55 2.29 2.07 -1.99 0.07 116.25 121.57 1s3h h VAL 163 Ca -0.36 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1s3h h VAL 163 Cb 1.20 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1s3h h VAL 163 CO 0.63 0.02 0.22 -0.08 0.02 0.00 0.00 177.57 178.37 1s3h h GLU 164 N 0.08 0.41 -0.03 1.57 4.81 -1.99 -0.45 114.58 118.97 1s3h h GLU 164 Ca 0.20 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1s3h h GLU 164 Cb 0.30 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1s3h h GLU 164 CO -0.36 0.27 0.02 0.78 -0.73 0.00 0.00 179.01 178.99 1s3h h GLY 165 N 0.42 0.01 1.39 1.92 0.00 -1.38 -1.69 103.07 103.73 1s3h h GLY 165 Ca 0.27 -0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.29 1s3h h GLY 165 CO -0.25 0.00 -1.42 -0.97 0.00 0.00 0.00 176.54 173.91 1s3h h TYR 166 N 0.01 0.57 -0.29 5.60 0.99 -0.08 -3.04 116.97 120.74 1s3h h TYR 166 Ca 0.01 -0.42 -0.04 0.00 2.00 0.00 0.00 58.73 60.28 1s3h h TYR 166 Cb 0.05 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 1s3h h TYR 166 CO -0.00 1.39 -0.02 0.28 -0.00 0.00 0.00 178.16 179.81 1s3h h VAL 167 N 0.09 1.18 -0.15 -2.88 2.07 -0.60 -1.30 116.25 114.65 1s3h h VAL 167 Ca -0.21 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1s3h h VAL 167 Cb 2.03 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1s3h h VAL 167 CO 0.20 0.24 -0.02 0.50 0.02 0.00 0.00 177.57 178.51 1s3h h LYS 168 N 0.42 0.28 -0.96 1.57 3.64 -1.38 -2.39 116.57 117.76 1s3h h LYS 168 Ca 0.09 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1s3h h LYS 168 Cb 0.31 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1s3h h LYS 168 CO 0.01 0.54 0.62 1.25 -2.27 0.00 0.00 179.45 179.60 1s3h h LEU 169 N -0.00 1.05 -0.48 5.20 6.46 -1.33 -1.71 115.31 124.49 1s3h h LEU 169 Ca 0.04 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1s3h h LEU 169 Cb 0.43 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1s3h h LEU 169 CO 0.01 0.72 0.24 0.00 -0.62 0.00 0.00 178.44 178.80 1s3h h ALA 170 N 1.39 0.61 -0.73 1.25 0.00 -1.06 -0.25 119.26 120.47 1s3h h ALA 170 Ca 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1s3h h ALA 170 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1s3h h ALA 170 CO -0.12 -0.10 0.43 0.78 0.00 0.00 0.00 179.25 180.24 1s3h h GLY 171 N 0.48 1.06 0.90 0.00 0.00 -0.82 0.42 103.07 105.11 1s3h h GLY 171 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1s3h h GLY 171 CO -0.15 0.42 -0.03 1.46 0.00 0.00 0.00 176.54 178.25 1s3h h GLN 172 N 1.00 0.58 -0.70 4.80 4.20 -0.59 0.47 115.11 124.87 1s3h h GLN 172 Ca 0.26 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1s3h h GLN 172 Cb -0.03 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1s3h h GLN 172 CO -0.05 0.74 0.46 -0.07 -0.67 0.00 0.00 178.83 179.24 1s3h h LEU 173 N 0.37 0.80 -0.60 1.46 3.38 -0.49 -1.07 115.31 119.17 1s3h h LEU 173 Ca 0.09 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1s3h h LEU 173 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1s3h h LEU 173 CO 0.02 0.57 -0.28 -0.07 0.09 0.00 0.00 178.44 178.77 1s3h h LEU 174 N 0.94 0.84 -2.36 1.67 3.38 -0.76 -1.83 115.31 117.20 1s3h h LEU 174 Ca 0.26 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s3h h LEU 174 Cb -0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1s3h h LEU 174 CO -0.06 1.07 -0.01 0.44 0.09 0.00 0.00 178.44 179.96 1s3h h ASP 175 N 0.69 0.00 -0.81 -0.43 5.19 0.83 -0.22 116.42 121.68 1s3h h ASP 175 Ca 0.08 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.17 1s3h h ASP 175 Cb 0.82 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.14 1s3h h ASP 175 CO 0.07 0.01 0.39 1.15 -3.12 0.00 0.00 179.24 177.74 1s3h n MET 176 N -3.91 3.14 -1.50 3.56 0.00 -0.49 -4.93 117.12 113.00 1s3h n MET 176 Ca -0.03 -3.07 -0.02 0.00 0.00 0.00 0.00 57.70 54.59 1s3h n MET 176 Cb 0.10 -2.19 -0.00 0.00 0.00 0.00 0.00 33.22 31.13 1s3h n MET 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s3h n GLY 177 N -0.54 0.41 3.72 3.17 0.00 -0.09 -4.73 105.19 107.13 1s3h n GLY 177 Ca 0.47 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1s3h n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3h s ALA 178 N -2.07 3.80 -0.63 4.61 0.00 -0.72 -4.82 121.76 121.93 1s3h s ALA 178 Ca 0.00 1.42 0.26 0.00 0.00 0.00 0.00 51.96 53.63 1s3h s ALA 178 Cb 0.00 -3.63 0.77 0.00 0.00 0.00 0.00 23.12 20.26 1s3h s ALA 178 CO 0.00 -0.81 1.75 -0.44 0.00 0.00 0.00 175.76 176.26 1s3h h ASP 179 N 6.67 0.00 -4.32 0.00 3.32 0.35 -3.45 116.42 119.00 1s3h h ASP 179 Ca -0.43 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.81 1s3h h ASP 179 Cb 1.20 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 1s3h h ASP 179 CO 0.91 0.00 0.68 -0.94 -1.72 0.00 0.00 179.24 178.18 1s3h s SER 180 N -4.80 -0.23 -0.17 6.45 1.04 -1.18 -4.58 113.70 110.22 1s3h s SER 180 Ca 0.09 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.52 1s3h s SER 180 Cb 0.11 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1s3h s SER 180 CO 0.59 -0.37 -0.02 -0.63 0.98 0.00 0.00 173.24 173.79 1s3h s ILE 181 N -2.48 3.95 -0.24 -1.02 -1.09 0.95 -1.51 121.20 119.76 1s3h s ILE 181 Ca 0.07 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1s3h s ILE 181 Cb -0.01 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 1s3h s ILE 181 CO -0.06 0.47 0.11 0.00 -1.23 0.00 0.00 174.94 174.23 1s3h s ALA 182 N 0.59 3.37 0.63 9.38 0.00 0.19 -1.05 121.76 134.88 1s3h s ALA 182 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1s3h s ALA 182 Cb -0.14 -2.18 0.09 0.00 0.00 0.00 0.00 23.12 20.89 1s3h s ALA 182 CO 0.02 -0.30 0.88 -1.17 0.00 0.00 0.00 175.76 175.19 1s3h s LEU 183 N 1.28 3.11 0.00 0.00 2.96 0.66 -0.79 118.68 125.90 1s3h s LEU 183 Ca 0.06 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1s3h s LEU 183 Cb -0.14 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1s3h s LEU 183 CO 0.05 -1.52 0.00 -0.67 -1.32 0.00 0.00 176.35 172.89 1s3h n ASP 185 N -2.55 0.00 0.21 3.68 2.03 0.19 -1.08 116.55 119.03 1s3h n ASP 185 Ca 0.13 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.51 1s3h n ASP 185 Cb 0.60 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.44 1s3h n ASP 185 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1s3h h MET 186 N 0.00 0.00 -0.48 -0.67 1.85 -1.86 -2.69 114.93 111.08 1s3h h MET 186 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1s3h h MET 186 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1s3h h MET 186 CO 0.00 0.30 0.00 0.00 -0.40 0.00 0.00 176.91 176.81 1s3h n ALA 187 N -2.33 3.41 -3.98 0.39 0.00 -1.26 -4.67 120.51 112.08 1s3h n ALA 187 Ca -0.01 -1.96 -0.29 0.00 0.00 0.00 0.00 53.44 51.18 1s3h n ALA 187 Cb 0.42 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1s3h n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s3h n ALA 188 N 0.35 -1.67 0.62 0.00 0.00 -1.14 -4.62 120.51 114.06 1s3h n ALA 188 Ca 0.25 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1s3h n ALA 188 Cb 1.02 -2.68 0.04 0.00 0.00 0.00 0.00 19.45 17.83 1s3h n ALA 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s3h n LEU 189 N -4.44 0.63 -4.58 0.00 4.77 -1.26 -4.42 117.00 107.69 1s3h n LEU 189 Ca -0.14 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 1s3h n LEU 189 Cb 0.60 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1s3h n LEU 189 CO 0.77 0.06 1.27 -0.22 -1.33 0.00 0.00 177.39 177.94 1s3h s LEU 190 N -3.82 3.46 0.70 2.23 2.96 -1.26 -4.97 118.68 117.98 1s3h s LEU 190 Ca 0.04 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 1s3h s LEU 190 Cb 0.15 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.67 1s3h s LEU 190 CO 0.79 -1.65 1.06 -0.54 -1.32 0.00 0.00 176.35 174.69 1s3h s LYS 191 N 5.40 2.64 0.14 1.98 1.02 -1.26 -4.58 119.74 125.08 1s3h s LYS 191 Ca 0.57 0.22 -0.18 0.00 0.02 0.00 0.00 55.97 56.59 1s3h s LYS 191 Cb -0.12 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1s3h s LYS 191 CO 0.27 -1.09 1.70 -1.35 -0.92 0.00 0.00 175.35 173.97 1s3h h PRO 192 N -0.62 0.06 -0.15 -1.68 0.11 -1.87 -0.63 132.00 127.22 1s3h h PRO 192 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1s3h h PRO 192 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1s3h h PRO 192 CO 0.63 0.04 0.01 0.37 -0.21 0.00 0.00 178.00 178.83 1s3h h GLN 193 N 0.06 0.26 -1.00 1.05 5.75 -1.95 -1.27 115.11 118.01 1s3h h GLN 193 Ca 0.14 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1s3h h GLN 193 Cb 0.19 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 1s3h h GLN 193 CO -0.25 0.48 0.65 -1.35 -2.65 0.00 0.00 178.83 175.70 1s3h h PRO 194 N 0.02 1.22 -0.72 -2.39 0.11 -1.96 0.30 132.00 128.58 1s3h h PRO 194 Ca 0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1s3h h PRO 194 Cb 0.35 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1s3h h PRO 194 CO 0.01 0.80 0.45 0.00 -0.21 0.00 0.00 178.00 179.05 1s3h h ALA 195 N 1.41 0.91 0.04 -0.75 0.00 -0.84 0.90 119.26 120.93 1s3h h ALA 195 Ca 0.40 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1s3h h ALA 195 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1s3h h ALA 195 CO -0.13 0.37 -0.02 -0.92 0.00 0.00 0.00 179.25 178.54 1s3h h TYR 196 N 0.97 -0.05 -0.18 0.00 3.20 -0.20 -2.66 116.97 118.05 1s3h h TYR 196 Ca 0.26 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1s3h h TYR 196 Cb -0.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1s3h h TYR 196 CO -0.02 0.44 0.11 -0.44 -1.64 0.00 0.00 178.16 176.61 1s3h h ASP 197 N -0.58 0.21 -0.01 -2.11 3.32 -0.27 0.04 116.42 117.03 1s3h h ASP 197 Ca -0.01 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1s3h h ASP 197 Cb 0.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1s3h h ASP 197 CO 0.01 0.19 0.01 0.40 -1.72 0.00 0.00 179.24 178.13 1s3h h ILE 198 N 0.21 1.08 -0.20 0.35 2.04 -0.92 0.29 117.51 120.36 1s3h h ILE 198 Ca 0.06 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1s3h h ILE 198 Cb 0.02 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1s3h h ILE 198 CO -0.01 0.06 -0.02 0.40 0.00 0.00 0.00 178.15 178.58 1s3h h ILE 199 N -0.08 1.14 -0.02 -0.67 1.08 -1.35 -1.55 117.51 116.06 1s3h h ILE 199 Ca 0.00 -0.57 -0.17 0.00 -0.39 0.00 0.00 64.86 63.73 1s3h h ILE 199 Cb 0.09 1.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1s3h h ILE 199 CO -0.00 0.19 -0.65 0.50 -0.69 0.00 0.00 178.15 177.50 1s3h h LYS 200 N 0.29 0.48 -0.88 2.37 1.63 -0.66 -2.81 116.57 117.00 1s3h h LYS 200 Ca 0.07 -0.49 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1s3h h LYS 200 Cb 0.24 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 1s3h h LYS 200 CO 0.01 1.13 0.56 0.00 -3.45 0.00 0.00 179.45 177.70 1s3h h ALA 201 N 0.37 1.11 -0.12 5.00 0.00 -0.05 0.37 119.26 125.93 1s3h h ALA 201 Ca -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1s3h h ALA 201 Cb 1.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s3h h ALA 201 CO 0.13 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.75 1s3h h ILE 202 N 1.19 1.24 -0.69 0.00 2.04 -1.36 -1.25 117.51 118.68 1s3h h ILE 202 Ca 0.32 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1s3h h ILE 202 Cb -0.10 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1s3h h ILE 202 CO -0.07 0.22 0.39 0.11 0.00 0.00 0.00 178.15 178.81 1s3h h LYS 203 N -0.04 0.96 -0.51 2.37 1.79 -1.19 -0.52 116.57 119.44 1s3h h LYS 203 Ca 0.04 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 1s3h h LYS 203 Cb 0.34 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1s3h h LYS 203 CO 0.00 0.71 -0.07 -0.44 -1.08 0.00 0.00 179.45 178.57 1s3h h ASP 204 N 0.95 0.90 0.06 0.86 3.32 -0.17 0.16 116.42 122.50 1s3h h ASP 204 Ca 0.25 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1s3h h ASP 204 Cb 0.02 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1s3h h ASP 204 CO -0.04 1.00 -0.03 0.74 -1.72 0.00 0.00 179.24 179.19 1s3h h THR 205 N 0.83 1.13 -0.05 0.35 2.02 -0.96 -3.37 112.91 112.86 1s3h h THR 205 Ca 0.14 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1s3h h THR 205 Cb 0.59 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1s3h h THR 205 CO 0.04 0.34 0.00 -1.22 0.37 0.00 0.00 175.52 175.05 1s3h n TYR 206 N -4.77 0.03 0.00 3.16 4.02 -0.23 -5.07 117.16 114.30 1s3h n TYR 206 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1s3h n TYR 206 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 1s3h n TYR 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s3h n GLY 207 N 1.35 1.64 0.28 2.72 0.00 0.56 -4.61 105.19 107.13 1s3h n GLY 207 Ca 0.15 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.54 1s3h n GLY 207 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1s3h h GLN 208 N 0.00 0.00 0.00 1.61 4.20 -1.92 -1.69 115.11 117.31 1s3h h GLN 208 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1s3h h GLN 208 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1s3h h GLN 208 CO 0.00 0.00 -0.06 1.57 -0.67 0.00 0.00 178.83 179.67 1s3h h LYS 209 N 0.00 0.00 -6.18 1.46 2.10 -1.92 -3.43 116.57 108.61 1s3h h LYS 209 Ca 0.03 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.09 1s3h h LYS 209 Cb 0.14 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1s3h h LYS 209 CO -0.00 0.06 1.28 2.41 -2.00 0.00 0.00 179.45 181.20 1s3h n THR 210 N -3.26 0.51 -2.87 0.07 -1.04 -0.64 -4.92 114.28 102.14 1s3h n THR 210 Ca -0.01 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1s3h n THR 210 Cb 0.27 -2.12 -0.04 0.00 -1.82 0.00 0.00 70.33 66.62 1s3h n THR 210 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1s3h s GLN 211 N 5.07 4.49 -0.05 -2.82 0.74 -1.26 -4.95 119.66 120.89 1s3h s GLN 211 Ca 0.96 1.16 0.03 0.00 0.05 0.00 0.00 55.36 57.56 1s3h s GLN 211 Cb -0.57 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.09 1s3h s GLN 211 CO 0.45 -0.03 -0.12 0.42 -0.55 0.00 0.00 175.29 175.46 1s3h s ILE 212 N 1.02 1.08 -0.11 -2.34 1.01 -1.26 -0.04 121.20 120.57 1s3h s ILE 212 Ca 0.45 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1s3h s ILE 212 Cb -0.19 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1s3h s ILE 212 CO 0.22 0.33 -0.19 0.20 0.00 0.00 0.00 174.94 175.50 1s3h s ASN 213 N 0.36 3.51 -0.27 3.58 0.02 -0.21 -1.95 114.94 119.98 1s3h s ASN 213 Ca -0.08 -0.44 -0.08 0.00 -1.02 0.00 0.00 52.86 51.24 1s3h s ASN 213 Cb -0.12 -1.43 -0.02 0.00 0.02 0.00 0.00 41.25 39.70 1s3h s ASN 213 CO 0.02 0.18 0.09 -0.22 0.02 0.00 0.00 177.10 177.19 1s3h s LEU 214 N 0.26 3.65 -0.40 0.60 2.96 0.38 -0.25 118.68 125.89 1s3h s LEU 214 Ca -0.13 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1s3h s LEU 214 Cb -0.16 -1.93 0.08 0.00 0.50 0.00 0.00 46.19 44.68 1s3h s LEU 214 CO 0.07 -0.10 0.20 -2.28 -1.32 0.00 0.00 176.35 172.92 1s3h s HIS 215 N 1.59 3.40 -0.02 5.38 5.65 -0.24 -0.77 115.29 130.28 1s3h s HIS 215 Ca 0.05 -1.84 0.07 0.00 0.25 0.00 0.00 55.06 53.59 1s3h s HIS 215 Cb -0.16 -2.90 -0.02 0.00 -1.18 0.00 0.00 32.58 28.33 1s3h s HIS 215 CO 0.04 -0.88 -0.23 0.00 -0.65 0.00 0.00 174.74 173.02 1s3h s HIS 217 N -0.53 2.59 -0.71 0.00 3.76 -1.03 -4.36 115.29 115.02 1s3h s HIS 217 Ca 0.09 0.06 0.10 0.00 -0.15 0.00 0.00 55.06 55.16 1s3h s HIS 217 Cb -0.09 -2.95 0.29 0.00 1.11 0.00 0.00 32.58 30.94 1s3h s HIS 217 CO -0.01 -1.22 1.24 -1.13 -0.85 0.00 0.00 174.74 172.77 1s3h n SER 218 N -2.63 2.91 -0.32 1.40 3.41 -0.37 -4.46 113.62 113.54 1s3h n SER 218 Ca 0.10 -2.13 0.21 0.00 -0.26 0.00 0.00 58.87 56.78 1s3h n SER 218 Cb 0.60 -0.24 0.43 0.00 -0.26 0.00 0.00 64.21 64.74 1s3h n SER 218 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1s3h h THR 219 N 1.70 0.28 0.00 6.66 2.02 -1.66 0.28 112.91 122.19 1s3h h THR 219 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1s3h h THR 219 Cb 0.79 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1s3h h THR 219 CO 0.03 0.05 -1.21 0.35 0.37 0.00 0.00 175.52 175.10 1s3h n THR 220 N -5.12 0.06 -0.79 3.16 -2.24 -1.25 -1.55 114.28 106.55 1s3h n THR 220 Ca 0.29 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1s3h n THR 220 Cb 0.91 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1s3h n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3h n GLY 221 N 1.40 0.62 0.20 3.38 0.00 0.09 -4.47 105.19 106.40 1s3h n GLY 221 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1s3h n GLY 221 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s3h n VAL 222 N -2.75 0.01 0.14 1.61 0.24 -1.26 -4.73 118.33 111.58 1s3h n VAL 222 Ca 0.00 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.81 1s3h n VAL 222 Cb 0.00 1.10 0.07 0.00 -1.47 0.00 0.00 33.84 33.54 1s3h n VAL 222 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1s3h h THR 223 N 0.96 1.02 0.00 3.34 1.35 -1.81 -2.97 112.91 114.80 1s3h h THR 223 Ca 0.00 -2.28 -0.03 0.00 -0.55 0.00 0.00 66.41 63.56 1s3h h THR 223 Cb 0.21 2.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1s3h h THR 223 CO 0.00 0.55 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.60 1s3h h GLU 224 N 0.00 0.00 0.00 4.72 4.81 -1.89 0.60 114.58 122.82 1s3h h GLU 224 Ca -0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1s3h h GLU 224 Cb 1.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1s3h h GLU 224 CO 0.07 0.14 -0.87 0.28 -0.73 0.00 0.00 179.01 177.91 1s3h h VAL 225 N 0.00 1.62 -0.39 0.32 2.07 -1.88 -2.82 116.25 115.18 1s3h h VAL 225 Ca -0.00 -2.98 -0.12 0.00 0.82 0.00 0.00 66.70 64.42 1s3h h VAL 225 Cb 0.39 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1s3h h VAL 225 CO 0.02 0.85 -0.24 0.28 0.02 0.00 0.00 177.57 178.49 1s3h h SER 226 N 0.00 0.80 -0.56 0.57 0.02 -1.11 -1.45 113.55 111.81 1s3h h SER 226 Ca -0.01 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1s3h h SER 226 Cb 1.54 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1s3h h SER 226 CO 0.11 1.01 0.36 -0.07 -1.14 0.00 0.00 176.83 177.10 1s3h h LEU 227 N 0.68 0.66 -0.46 5.07 4.07 -0.81 0.70 115.31 125.21 1s3h h LEU 227 Ca 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1s3h h LEU 227 Cb 0.76 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1s3h h LEU 227 CO 0.06 0.50 0.18 -0.03 -1.08 0.00 0.00 178.44 178.07 1s3h h MET 228 N 0.76 0.69 -0.46 1.13 4.05 -1.23 -0.75 114.93 119.11 1s3h h MET 228 Ca 0.20 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1s3h h MET 228 Cb -0.06 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1s3h h MET 228 CO -0.04 0.63 -0.02 0.87 0.23 0.00 0.00 176.91 178.58 1s3h h LYS 229 N 0.60 0.78 -0.68 0.39 1.79 -0.65 -0.85 116.57 117.94 1s3h h LYS 229 Ca 0.15 -0.22 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 1s3h h LYS 229 Cb 0.20 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1s3h h LYS 229 CO -0.01 0.80 0.16 0.00 -1.08 0.00 0.00 179.45 179.32 1s3h h ALA 230 N 1.25 0.90 -0.65 3.86 0.00 0.80 -0.55 119.26 124.88 1s3h h ALA 230 Ca 0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1s3h h ALA 230 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1s3h h ALA 230 CO 0.02 0.63 0.08 0.82 0.00 0.00 0.00 179.25 180.80 1s3h h ILE 231 N 1.03 1.26 -0.12 0.00 2.04 -0.75 0.24 117.51 121.21 1s3h h ILE 231 Ca 0.21 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1s3h h ILE 231 Cb 0.38 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1s3h h ILE 231 CO 0.00 0.40 -0.23 -0.33 0.00 0.00 0.00 178.15 178.00 1s3h h GLU 232 N 1.00 0.20 0.00 2.37 5.08 -0.79 -0.91 114.58 121.53 1s3h h GLU 232 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1s3h h GLU 232 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1s3h h GLU 232 CO 0.02 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 1s3h n ALA 233 N -2.48 2.18 0.00 3.43 0.00 -0.25 -0.09 120.51 123.30 1s3h n ALA 233 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1s3h n ALA 233 Cb 0.33 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1s3h n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3h n GLY 234 N 1.17 1.39 3.76 0.00 0.00 -0.29 -4.34 105.19 106.88 1s3h n GLY 234 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1s3h n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3h s VAL 235 N -2.00 2.46 -0.16 1.61 0.11 0.68 -4.94 120.40 118.15 1s3h s VAL 235 Ca 0.00 0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 59.22 1s3h s VAL 235 Cb 0.00 -3.18 -0.23 0.00 -1.53 0.00 0.00 36.38 31.44 1s3h s VAL 235 CO 0.00 -0.00 0.36 0.44 -3.33 0.00 0.00 175.10 172.57 1s3h h ASP 236 N 1.71 0.18 -4.12 3.54 3.32 -1.78 -3.44 116.42 115.83 1s3h h ASP 236 Ca -0.50 -0.72 -0.28 0.00 0.02 0.00 0.00 57.03 55.55 1s3h h ASP 236 Cb 1.28 -0.06 -0.26 0.00 0.22 0.00 0.00 39.33 40.51 1s3h h ASP 236 CO 0.58 1.57 -0.74 -0.69 -1.72 0.00 0.00 179.24 178.25 1s3h s VAL 237 N -2.42 0.32 -0.02 -1.35 1.01 -0.82 -0.72 120.40 116.39 1s3h s VAL 237 Ca -0.25 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1s3h s VAL 237 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1s3h s VAL 237 CO 0.68 -0.05 -0.21 0.68 0.00 0.00 0.00 175.10 176.19 1s3h s VAL 238 N -0.44 1.68 -0.05 2.92 -7.23 -0.30 -0.47 120.40 116.51 1s3h s VAL 238 Ca -0.02 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.05 1s3h s VAL 238 Cb -0.04 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 1s3h s VAL 238 CO -0.00 0.48 0.56 -1.81 -0.31 0.00 0.00 175.10 174.01 1s3h s ASP 239 N -0.44 6.87 0.20 4.85 1.01 0.05 -2.18 116.67 127.03 1s3h s ASP 239 Ca 0.07 1.04 -0.01 0.00 0.71 0.00 0.00 52.55 54.36 1s3h s ASP 239 Cb -0.09 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1s3h s ASP 239 CO -0.00 0.06 0.13 0.42 0.21 0.00 0.00 175.17 175.99 1s3h s THR 240 N 0.12 0.00 -0.02 -1.27 -4.23 -0.43 -4.55 115.64 105.27 1s3h s THR 240 Ca 0.30 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1s3h s THR 240 Cb -0.17 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1s3h s THR 240 CO 0.15 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 174.06 1s3h s ALA 241 N -4.14 1.37 0.14 3.99 0.00 -0.69 -0.93 121.76 121.51 1s3h s ALA 241 Ca 0.39 -0.70 -0.34 0.00 0.00 0.00 0.00 51.96 51.31 1s3h s ALA 241 Cb 0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.68 1s3h s ALA 241 CO 0.12 0.33 1.43 1.51 0.00 0.00 0.00 175.76 179.15 1s3h n ILE 242 N 2.73 0.19 -0.34 0.00 0.13 -1.26 -0.89 119.36 119.92 1s3h n ILE 242 Ca -0.15 -0.05 0.32 0.00 -1.10 0.00 0.00 62.75 61.78 1s3h n ILE 242 Cb 0.54 -1.20 0.59 0.00 -0.84 0.00 0.00 39.64 38.73 1s3h n ILE 242 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1s3h h SER 243 N 4.99 0.32 0.00 9.51 4.64 -1.91 0.59 113.55 131.70 1s3h h SER 243 Ca -0.46 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1s3h h SER 243 Cb 1.29 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1s3h h SER 243 CO 0.82 -0.39 0.00 -1.54 -0.87 0.00 0.00 176.83 174.85 1s3h n SER 244 N -5.17 0.00 -2.66 4.97 3.41 -1.26 -3.15 113.62 109.76 1s3h n SER 244 Ca 0.38 -0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1s3h n SER 244 Cb 1.30 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.28 1s3h n SER 244 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1s3h n MET 245 N -0.91 1.15 -4.35 4.33 2.81 0.21 -4.70 117.12 115.66 1s3h n MET 245 Ca 0.14 -3.21 -0.20 0.00 -1.81 0.00 0.00 57.70 52.61 1s3h n MET 245 Cb 0.06 -1.21 -0.09 0.00 -0.71 0.00 0.00 33.22 31.27 1s3h n MET 245 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s3h s SER 246 N -3.08 1.78 0.32 7.83 1.04 -1.19 -4.60 113.70 115.82 1s3h s SER 246 Ca 0.27 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1s3h s SER 246 Cb 0.46 0.48 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1s3h s SER 246 CO 0.04 -0.96 0.00 0.18 0.98 0.00 0.00 173.24 173.47 1s3h n LEU 247 N -0.65 0.00 0.00 2.42 4.77 0.77 -4.82 117.00 119.49 1s3h n LEU 247 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1s3h n LEU 247 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1s3h n LEU 247 CO 0.34 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1s3h n GLY 248 N 0.00 1.63 0.00 -0.72 0.00 -1.21 0.19 105.19 105.08 1s3h n GLY 248 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.55 1s3h n GLY 248 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s3h n PRO 249 N 4.65 0.71 0.00 1.61 -0.02 -1.26 -2.28 135.00 138.41 1s3h n PRO 249 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1s3h n PRO 249 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1s3h n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3h n GLY 250 N 0.29 0.88 3.25 -1.23 0.00 0.13 -4.64 105.19 103.87 1s3h n GLY 250 Ca 0.06 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 1s3h n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s3h n HIS 251 N 0.00 -0.10 -2.12 1.61 8.25 -1.26 -1.24 115.22 120.37 1s3h n HIS 251 Ca 0.00 -2.61 -0.32 0.00 -0.26 0.00 0.00 57.72 54.52 1s3h n HIS 251 Cb 0.00 0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 1s3h n HIS 251 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1s3h s ASN 252 N -3.41 6.02 0.01 0.41 0.01 -1.26 -0.16 114.94 116.56 1s3h s ASN 252 Ca 0.25 1.73 -0.30 0.00 -0.71 0.00 0.00 52.86 53.82 1s3h s ASN 252 Cb 0.01 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 1s3h s ASN 252 CO 0.18 -1.01 1.36 -2.84 -1.51 0.00 0.00 177.10 173.28 1s3h s PRO 253 N -4.14 4.31 0.13 -0.60 0.02 -1.26 -1.70 135.00 131.76 1s3h s PRO 253 Ca 0.62 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 1s3h s PRO 253 Cb -0.14 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.85 1s3h s PRO 253 CO 0.37 -0.52 1.72 1.15 -0.33 0.00 0.00 177.00 179.39 1s3h h THR 254 N 4.82 0.85 -0.32 0.99 2.02 -1.32 0.34 112.91 120.28 1s3h h THR 254 Ca -0.38 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1s3h h THR 254 Cb 1.18 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1s3h h THR 254 CO 0.89 0.02 -0.12 -0.33 0.37 0.00 0.00 175.52 176.35 1s3h h GLU 255 N 0.09 0.55 -0.30 6.66 3.07 -1.93 -0.07 114.58 122.66 1s3h h GLU 255 Ca 0.11 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1s3h h GLU 255 Cb 0.13 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1s3h h GLU 255 CO -0.18 0.67 -0.02 0.77 -1.40 0.00 0.00 179.01 178.85 1s3h h SER 256 N 0.51 0.54 0.57 1.42 0.02 -1.67 -0.37 113.55 114.56 1s3h h SER 256 Ca 0.09 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 1s3h h SER 256 Cb 0.51 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1s3h h SER 256 CO 0.03 0.73 -0.40 0.58 -1.14 0.00 0.00 176.83 176.63 1s3h h VAL 257 N 0.33 1.12 0.05 2.27 2.07 -0.06 -1.82 116.25 120.20 1s3h h VAL 257 Ca 0.08 -1.46 -0.25 0.00 0.82 0.00 0.00 66.70 65.90 1s3h h VAL 257 Cb 0.47 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1s3h h VAL 257 CO 0.02 0.39 -1.06 0.00 0.02 0.00 0.00 177.57 176.95 1s3h h ALA 258 N 1.60 0.25 0.16 1.67 0.00 -0.80 -3.35 119.26 118.79 1s3h h ALA 258 Ca -0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 54.91 53.85 1s3h h ALA 258 Cb 0.79 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1s3h h ALA 258 CO 0.05 0.84 -1.30 0.93 0.00 0.00 0.00 179.25 179.78 1s3h h GLU 259 N 0.19 0.37 0.00 0.00 4.39 -0.88 -3.32 114.58 115.34 1s3h h GLU 259 Ca -0.11 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1s3h h GLU 259 Cb 1.72 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1s3h h GLU 259 CO 0.18 1.29 0.00 0.00 -1.16 0.00 0.00 179.01 179.32 1s3h h MET 260 N 0.11 0.00 0.00 2.33 -0.00 -1.47 -2.53 114.93 113.38 1s3h h MET 260 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 1s3h h MET 260 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.61 1s3h h MET 260 CO 0.22 0.00 -0.47 -0.07 -0.00 0.00 0.00 176.91 176.60 1s3h h LEU 261 N 0.00 0.00 -9.16 -0.10 3.38 -1.73 -3.46 115.31 104.23 1s3h h LEU 261 Ca 0.00 -0.08 -0.74 0.00 0.09 0.00 0.00 57.88 57.15 1s3h h LEU 261 Cb 0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.85 1s3h h LEU 261 CO 0.00 0.04 0.73 1.21 0.09 0.00 0.00 178.44 180.51 1s3h n GLU 262 N -2.47 1.00 -0.32 1.13 2.13 -0.95 -0.09 120.64 121.06 1s3h n GLU 262 Ca 0.03 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1s3h n GLU 262 Cb 0.48 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1s3h n GLU 262 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s3h n GLY 263 N 3.62 1.40 0.11 8.31 0.00 -1.26 -4.90 105.19 112.48 1s3h n GLY 263 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1s3h n GLY 263 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1s3h h THR 264 N 0.00 0.00 0.00 2.61 1.35 -0.84 -3.46 112.91 112.57 1s3h h THR 264 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1s3h h THR 264 Cb 0.00 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1s3h h THR 264 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1s3h n GLY 265 N 1.27 0.85 3.90 5.82 0.00 -1.26 -4.95 105.19 110.83 1s3h n GLY 265 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1s3h n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3h s TYR 266 N -2.22 3.54 0.13 1.61 4.12 -1.26 -2.20 117.35 121.06 1s3h s TYR 266 Ca 0.00 0.42 -0.10 0.00 0.02 0.00 0.00 57.07 57.41 1s3h s TYR 266 Cb 0.00 -1.89 0.00 0.00 -1.52 0.00 0.00 41.96 38.56 1s3h s TYR 266 CO 0.00 0.60 0.27 -0.08 0.02 0.00 0.00 175.55 176.35 1s3h s THR 267 N -1.40 0.10 0.26 -0.71 -1.32 -0.71 -4.59 115.64 107.27 1s3h s THR 267 Ca 0.31 -1.17 0.10 0.00 -1.21 0.00 0.00 61.69 59.72 1s3h s THR 267 Cb -0.13 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 1s3h s THR 267 CO 0.21 -0.45 -0.06 0.42 -2.21 0.00 0.00 174.62 172.53 1s3h s THR 268 N -3.90 3.20 -0.71 5.08 -4.23 -1.26 0.02 115.64 113.84 1s3h s THR 268 Ca 0.10 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1s3h s THR 268 Cb 0.04 -2.69 0.42 0.00 1.34 0.00 0.00 72.50 71.61 1s3h s THR 268 CO -0.06 -0.36 2.01 -3.20 -0.54 0.00 0.00 174.62 172.47 1s3h n ASN 269 N -0.74 7.59 -4.77 3.99 5.15 -1.26 -4.95 115.26 120.27 1s3h n ASN 269 Ca -0.07 -3.80 -0.32 0.00 -0.60 0.00 0.00 54.58 49.79 1s3h n ASN 269 Cb 0.59 -0.99 -0.07 0.00 -0.53 0.00 0.00 39.78 38.78 1s3h n ASN 269 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1s3h s LEU 270 N -3.89 3.82 -0.53 1.20 1.43 -1.26 -4.42 118.68 115.03 1s3h s LEU 270 Ca 0.61 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 53.58 1s3h s LEU 270 Cb 0.49 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1s3h s LEU 270 CO -0.13 0.23 0.67 -0.62 0.23 0.00 0.00 176.35 176.74 1s3h s ASP 271 N -1.99 6.22 0.42 2.29 -1.08 -0.28 -4.95 116.67 117.30 1s3h s ASP 271 Ca 0.25 -0.98 0.08 0.00 -0.52 0.00 0.00 52.55 51.38 1s3h s ASP 271 Cb -0.12 -2.31 0.89 0.00 -1.46 0.00 0.00 42.92 39.92 1s3h s ASP 271 CO 0.17 -0.97 2.05 1.88 0.52 0.00 0.00 175.17 178.82 1s3h h TYR 272 N 9.07 0.45 -0.42 -5.34 -1.99 -1.97 -0.84 116.97 115.92 1s3h h TYR 272 Ca -0.28 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.40 1s3h h TYR 272 Cb 1.09 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1s3h h TYR 272 CO 0.78 0.30 0.04 0.22 -0.00 0.00 0.00 178.16 179.51 1s3h h ASP 273 N 0.48 0.69 0.02 3.88 -0.00 -1.99 -0.61 116.42 118.89 1s3h h ASP 273 Ca 0.13 -0.28 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1s3h h ASP 273 Cb -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.12 1s3h h ASP 273 CO -0.02 0.80 -0.04 0.03 -0.00 0.00 0.00 179.24 180.01 1s3h h ARG 274 N 0.56 -0.07 -0.88 0.28 2.47 -1.72 -1.31 114.38 113.71 1s3h h ARG 274 Ca 0.12 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.04 1s3h h ARG 274 Cb 0.42 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 1s3h h ARG 274 CO 0.01 -0.05 0.58 -0.07 0.56 0.00 0.00 179.97 181.01 1s3h h LEU 275 N -0.08 0.42 -0.99 3.04 3.38 -1.01 0.78 115.31 120.85 1s3h h LEU 275 Ca 0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1s3h h LEU 275 Cb 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1s3h h LEU 275 CO -0.03 0.18 -0.30 -0.74 0.09 0.00 0.00 178.44 177.64 1s3h h HIS 276 N 0.42 0.40 -0.09 1.13 2.76 0.03 -0.87 115.15 118.95 1s3h h HIS 276 Ca 0.46 -0.09 -0.24 0.00 -2.20 0.00 0.00 60.37 58.30 1s3h h HIS 276 Cb 1.11 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.98 1s3h h HIS 276 CO -0.00 0.63 -0.89 0.87 -1.30 0.00 0.00 177.93 177.24 1s3h h LYS 277 N 0.31 0.74 -0.42 5.26 1.57 -0.33 -2.74 116.57 120.97 1s3h h LYS 277 Ca 0.04 -0.68 -0.08 0.00 -1.87 0.00 0.00 60.65 58.07 1s3h h LYS 277 Cb 0.69 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1s3h h LYS 277 CO 0.05 1.27 -0.06 0.82 -0.57 0.00 0.00 179.45 180.97 1s3h h ILE 278 N 0.47 1.24 0.31 1.86 2.04 -1.19 -0.26 117.51 121.99 1s3h h ILE 278 Ca -0.08 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1s3h h ILE 278 Cb 1.53 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1s3h h ILE 278 CO 0.18 0.36 -0.15 -0.09 0.00 0.00 0.00 178.15 178.45 1s3h h ARG 279 N 0.66 -0.40 -0.75 2.37 2.43 -1.13 -2.52 114.38 115.03 1s3h h ARG 279 Ca 0.12 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1s3h h ARG 279 Cb 0.49 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1s3h h ARG 279 CO 0.03 -0.17 0.38 -0.44 -1.51 0.00 0.00 179.97 178.26 1s3h h ASP 280 N -0.57 0.96 0.17 -3.80 3.32 -1.39 0.37 116.42 115.47 1s3h h ASP 280 Ca -0.04 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1s3h h ASP 280 Cb 0.42 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1s3h h ASP 280 CO 0.07 0.80 -0.37 -0.74 -1.72 0.00 0.00 179.24 177.28 1s3h h HIS 281 N 1.06 -1.01 0.00 4.55 2.76 -0.85 -1.48 115.15 120.18 1s3h h HIS 281 Ca 0.26 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.40 1s3h h HIS 281 Cb 0.08 0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1s3h h HIS 281 CO 0.01 -0.48 -0.25 0.74 -1.30 0.00 0.00 177.93 176.65 1s3h h PHE 282 N -0.63 0.00 -0.04 5.26 -1.00 -1.24 -2.82 116.94 116.47 1s3h h PHE 282 Ca 0.02 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 1s3h h PHE 282 Cb 0.64 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1s3h h PHE 282 CO -0.30 0.25 -0.35 -0.22 -1.61 0.00 0.00 178.31 176.08 1s3h h LYS 283 N 0.00 0.07 0.07 1.51 3.64 -0.18 0.20 116.57 121.89 1s3h h LYS 283 Ca -0.00 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 1s3h h LYS 283 Cb 0.82 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1s3h h LYS 283 CO 0.03 0.41 -1.10 0.00 -2.27 0.00 0.00 179.45 176.52 1s3h h ALA 284 N 1.59 0.24 0.24 5.00 0.00 -1.06 -3.36 119.26 121.92 1s3h h ALA 284 Ca 0.01 -0.84 -0.34 0.00 0.00 0.00 0.00 54.91 53.74 1s3h h ALA 284 Cb 0.65 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.44 1s3h h ALA 284 CO 0.05 0.98 -1.56 0.82 0.00 0.00 0.00 179.25 179.54 1s3h h ILE 285 N 0.09 1.19 -0.65 0.00 2.04 -1.31 -3.39 117.51 115.48 1s3h h ILE 285 Ca -0.09 -2.65 0.14 0.00 1.00 0.00 0.00 64.86 63.25 1s3h h ILE 285 Cb 1.81 2.98 -0.10 0.00 -0.74 0.00 0.00 36.82 40.76 1s3h h ILE 285 CO 0.18 0.82 0.10 -0.09 0.00 0.00 0.00 178.15 179.16 1s3h h ARG 286 N 0.14 0.20 -1.26 2.37 2.43 -0.75 -1.98 114.38 115.54 1s3h h ARG 286 Ca -0.28 -0.01 0.37 0.00 -0.81 0.00 0.00 59.98 59.25 1s3h h ARG 286 Cb 2.16 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 31.57 1s3h h ARG 286 CO 0.25 0.13 0.84 -1.35 -1.51 0.00 0.00 179.97 178.34 1s3h h PRO 287 N 0.21 0.16 0.00 0.20 0.11 -1.77 0.28 132.00 131.19 1s3h h PRO 287 Ca 0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1s3h h PRO 287 Cb 0.57 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1s3h h PRO 287 CO -0.49 0.11 0.00 1.63 -0.21 0.00 0.00 178.00 179.04 1s3h n LYS 288 N -4.51 0.02 -0.57 1.05 5.02 -0.74 -1.89 118.16 116.54 1s3h n LYS 288 Ca 0.32 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 57.08 1s3h n LYS 288 Cb 1.26 -1.56 0.30 0.00 -0.02 0.00 0.00 35.03 35.02 1s3h n LYS 288 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1s3h n TYR 289 N -1.60 1.27 -0.21 2.13 4.02 0.97 -0.55 117.16 123.19 1s3h n TYR 289 Ca 0.02 -0.80 0.12 0.00 -0.01 0.00 0.00 57.90 57.23 1s3h n TYR 289 Cb 0.10 -0.35 0.43 0.00 -0.02 0.00 0.00 39.34 39.49 1s3h n TYR 289 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1s3h h LYS 290 N 2.57 0.57 0.00 -0.72 2.10 -1.50 -0.29 116.57 119.31 1s3h h LYS 290 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1s3h h LYS 290 Cb 1.56 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 1s3h h LYS 290 CO 0.29 0.38 0.00 1.63 -2.00 0.00 0.00 179.45 179.74 1s3h n LYS 291 N -4.51 0.01 -0.02 0.07 4.76 -1.26 -2.34 118.16 114.87 1s3h n LYS 291 Ca 0.15 0.39 0.01 0.00 -2.87 0.00 0.00 58.31 55.99 1s3h n LYS 291 Cb 0.45 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.16 1s3h n LYS 291 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1s3h n PHE 292 N -1.46 0.03 -2.31 2.13 3.01 -0.12 -5.05 117.46 113.69 1s3h n PHE 292 Ca 0.01 -0.55 -0.32 0.00 1.01 0.00 0.00 57.45 57.60 1s3h n PHE 292 Cb 0.05 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.43 1s3h n PHE 292 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1s3h s GLU 293 N -1.19 3.87 0.57 -1.08 0.41 -0.99 -4.24 118.70 116.05 1s3h s GLU 293 Ca 0.05 0.88 -0.03 0.00 -0.41 0.00 0.00 54.97 55.46 1s3h s GLU 293 Cb 0.04 -2.14 0.02 0.00 -1.78 0.00 0.00 34.13 30.27 1s3h s GLU 293 CO 0.01 -0.32 0.84 -1.12 -0.49 0.00 0.00 175.26 174.18 1s3h s SER 294 N -3.31 5.38 -0.18 -0.19 0.01 -1.26 -5.04 113.70 109.11 1s3h s SER 294 Ca 0.58 0.36 0.13 0.00 1.31 0.00 0.00 55.95 58.33 1s3h s SER 294 Cb -0.10 -1.30 0.40 0.00 0.21 0.00 0.00 66.02 65.22 1s3h s SER 294 CO 0.36 -1.13 1.20 0.29 0.41 0.00 0.00 173.24 174.37 1s3h n LYS 295 N -2.49 1.37 -3.76 12.44 5.02 -1.26 -4.94 118.16 124.55 1s3h n LYS 295 Ca 0.06 -3.05 -0.25 0.00 -2.02 0.00 0.00 58.31 53.04 1s3h n LYS 295 Cb 0.59 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 34.00 1s3h n LYS 295 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s3h s THR 296 N -2.82 0.45 0.01 -0.18 2.01 -1.26 -5.02 115.64 108.82 1s3h s THR 296 Ca 0.36 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 1s3h s THR 296 Cb 0.36 -0.76 -0.30 0.00 0.01 0.00 0.00 72.50 71.80 1s3h s THR 296 CO -0.07 0.06 0.89 -0.07 -0.69 0.00 0.00 174.62 174.73 1s3h h LEU 297 N 8.29 0.56 -7.83 4.42 3.38 -1.93 -3.40 115.31 118.80 1s3h h LEU 297 Ca -0.18 -0.71 -0.31 0.00 0.09 0.00 0.00 57.88 56.76 1s3h h LEU 297 Cb 1.12 -0.18 -0.29 0.00 0.09 0.00 0.00 40.66 41.40 1s3h h LEU 297 CO 0.30 1.58 -0.75 -0.69 0.09 0.00 0.00 178.44 178.97 1s3h s VAL 298 N -2.61 0.31 -0.24 1.22 1.01 -1.26 -3.36 120.40 115.47 1s3h s VAL 298 Ca -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1s3h s VAL 298 Cb 0.06 -0.29 0.12 0.00 0.00 0.00 0.00 36.38 36.28 1s3h s VAL 298 CO 0.88 0.10 0.45 -0.62 0.00 0.00 0.00 175.10 175.91 1s3h s ASP 299 N 0.10 -0.31 0.00 3.32 -1.08 -0.59 -5.01 116.67 113.10 1s3h s ASP 299 Ca -0.01 0.75 0.18 0.00 -0.52 0.00 0.00 52.55 52.96 1s3h s ASP 299 Cb -0.04 1.46 0.18 0.00 -1.46 0.00 0.00 42.92 43.07 1s3h s ASP 299 CO -0.00 -0.26 1.12 0.35 0.52 0.00 0.00 175.17 176.90 1s3h n THR 300 N 5.39 0.10 -0.35 1.71 -2.24 -1.26 -3.86 114.28 113.78 1s3h n THR 300 Ca -0.06 -0.55 0.16 0.00 -2.27 0.00 0.00 64.05 61.33 1s3h n THR 300 Cb 0.50 1.30 0.37 0.00 -2.10 0.00 0.00 70.33 70.40 1s3h n THR 300 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s3h h SER 301 N 3.61 0.71 -0.18 3.42 4.64 -1.95 0.30 113.55 124.10 1s3h h SER 301 Ca 0.00 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1s3h h SER 301 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1s3h h SER 301 CO 0.00 0.17 0.29 -0.29 -0.87 0.00 0.00 176.83 176.13 1s3h h ILE 302 N 0.64 0.28 0.00 0.95 2.10 -1.80 0.96 117.51 120.64 1s3h h ILE 302 Ca 0.62 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 66.50 1s3h h ILE 302 Cb 1.11 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.59 1s3h h ILE 302 CO -0.43 0.00 -0.28 -0.26 -1.08 0.00 0.00 178.15 176.10 1s3h h PHE 303 N 0.00 0.00 0.04 2.19 0.05 -1.29 -0.01 116.94 117.92 1s3h h PHE 303 Ca 0.09 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.51 1s3h h PHE 303 Cb 0.66 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.56 1s3h h PHE 303 CO 0.00 0.28 -2.20 1.17 -0.18 0.00 0.00 178.31 177.38 1s3h n LYS 304 N -3.64 0.69 -0.00 1.51 4.81 0.27 -4.60 118.16 117.19 1s3h n LYS 304 Ca -0.01 0.18 0.10 0.00 -0.87 0.00 0.00 58.31 57.70 1s3h n LYS 304 Cb 0.40 -1.62 -0.13 0.00 0.02 0.00 0.00 35.03 33.70 1s3h n LYS 304 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1s3h n SER 305 N -3.20 0.71 0.00 3.14 3.41 -0.83 -4.95 113.62 111.89 1s3h n SER 305 Ca -0.35 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1s3h n SER 305 Cb 1.05 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 66.32 1s3h n SER 305 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s3h n GLN 306 N -1.73 -1.38 -4.10 4.33 6.02 -0.02 -4.88 117.38 115.62 1s3h n GLN 306 Ca 0.01 0.35 -0.34 0.00 -0.01 0.00 0.00 57.00 57.00 1s3h n GLN 306 Cb 0.39 -4.44 -0.14 0.00 1.02 0.00 0.00 30.24 27.07 1s3h n GLN 306 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s3h s ILE 307 N -1.30 3.20 0.22 5.09 1.01 -1.26 -4.98 121.20 123.19 1s3h s ILE 307 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1s3h s ILE 307 Cb 0.00 -2.43 -0.08 0.00 0.01 0.00 0.00 42.46 39.96 1s3h s ILE 307 CO 0.00 0.46 1.08 -2.84 0.00 0.00 0.00 174.94 173.63 1s3h s PRO 308 N 1.22 4.65 0.24 2.79 0.02 -1.26 -4.31 135.00 138.35 1s3h s PRO 308 Ca 0.02 1.71 -0.14 0.00 0.02 0.00 0.00 61.00 62.62 1s3h s PRO 308 Cb -0.14 -3.25 0.32 0.00 0.02 0.00 0.00 34.50 31.45 1s3h s PRO 308 CO -0.03 0.18 1.52 0.41 -0.33 0.00 0.00 177.00 178.76 1s3h n GLY 309 N 1.68 -1.87 0.37 0.52 0.00 -1.26 0.33 105.19 104.95 1s3h n GLY 309 Ca 0.01 1.08 0.10 0.00 0.00 0.00 0.00 46.02 47.20 1s3h n GLY 309 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s3h h GLY 310 N 0.00 1.39 0.98 -0.02 0.00 -1.99 0.16 103.07 103.58 1s3h h GLY 310 Ca 0.39 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1s3h h GLY 310 CO -0.98 0.13 -0.67 1.98 0.00 0.00 0.00 176.54 177.00 1s3h h MET 311 N 0.83 0.59 0.02 4.80 -1.53 -0.50 -2.53 114.93 116.63 1s3h h MET 311 Ca 0.46 -0.53 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1s3h h MET 311 Cb 0.60 0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1s3h h MET 311 CO -0.23 1.15 -0.03 1.25 0.14 0.00 0.00 176.91 179.20 1s3h h LEU 312 N 0.22 -0.07 0.12 3.39 5.85 0.35 -2.36 115.31 122.81 1s3h h LEU 312 Ca -0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1s3h h LEU 312 Cb 1.32 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1s3h h LEU 312 CO 0.14 -0.04 -0.06 0.77 -0.34 0.00 0.00 178.44 178.91 1s3h h SER 313 N -0.06 -0.13 -0.91 1.25 4.64 -0.80 -1.53 113.55 116.01 1s3h h SER 313 Ca 0.00 -0.05 0.23 0.00 -0.47 0.00 0.00 61.79 61.50 1s3h h SER 313 Cb 0.06 0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 62.06 1s3h h SER 313 CO -0.01 -0.03 0.40 -1.13 -0.87 0.00 0.00 176.83 175.18 1s3h h ASN 314 N -0.23 0.32 -0.11 4.97 -1.24 -1.35 0.10 115.58 118.05 1s3h h ASN 314 Ca -0.02 0.16 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1s3h h ASN 314 Cb 0.18 0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 1s3h h ASN 314 CO 0.03 -0.02 -0.06 0.24 -1.29 0.00 0.00 177.43 176.32 1s3h h MET 315 N 0.38 0.24 -1.00 6.67 2.86 -1.03 -2.89 114.93 120.17 1s3h h MET 315 Ca 0.57 -0.11 0.20 0.00 -2.06 0.00 0.00 59.70 58.30 1s3h h MET 315 Cb 1.11 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.67 1s3h h MET 315 CO -0.54 0.60 0.61 1.49 1.06 0.00 0.00 176.91 180.13 1s3h h GLU 316 N -0.12 0.70 -0.29 1.72 4.81 0.18 0.83 114.58 122.42 1s3h h GLU 316 Ca 0.02 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1s3h h GLU 316 Cb 0.53 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1s3h h GLU 316 CO 0.02 0.46 -0.07 0.66 -0.73 0.00 0.00 179.01 179.35 1s3h h SER 317 N 0.72 0.56 -0.64 1.04 4.64 -1.21 -1.84 113.55 116.82 1s3h h SER 317 Ca 0.58 -0.36 0.10 0.00 -0.47 0.00 0.00 61.79 61.63 1s3h h SER 317 Cb 0.96 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1s3h h SER 317 CO -0.37 0.80 0.43 1.56 -0.87 0.00 0.00 176.83 178.37 1s3h h GLN 318 N 0.32 0.45 -0.06 4.77 4.20 -0.69 0.14 115.11 124.24 1s3h h GLN 318 Ca 0.07 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 1s3h h GLN 318 Cb 0.55 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1s3h h GLN 318 CO 0.03 0.30 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.59 1s3h h LEU 319 N 0.46 0.61 0.09 1.46 3.38 -0.76 -3.00 115.31 117.55 1s3h h LEU 319 Ca 0.30 -0.43 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 1s3h h LEU 319 Cb 0.54 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1s3h h LEU 319 CO -0.09 1.21 -0.86 0.08 0.09 0.00 0.00 178.44 178.87 1s3h h ARG 320 N 0.32 0.42 0.00 1.13 0.11 -0.49 -2.99 114.38 112.88 1s3h h ARG 320 Ca -0.06 -0.57 0.00 0.00 0.10 0.00 0.00 59.98 59.45 1s3h h ARG 320 Cb 1.44 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.71 1s3h h ARG 320 CO 0.15 1.23 0.08 0.00 0.10 0.00 0.00 179.97 181.53 1s3h n ALA 321 N -2.64 0.86 -2.47 0.08 0.00 0.42 0.14 120.51 116.90 1s3h n ALA 321 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 1s3h n ALA 321 Cb 0.82 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 19.45 1s3h n ALA 321 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1s3h n GLN 322 N -1.39 2.69 0.00 0.00 7.27 -1.13 -5.06 117.38 119.76 1s3h n GLN 322 Ca 0.00 -3.99 0.00 0.00 0.07 0.00 0.00 57.00 53.08 1s3h n GLN 322 Cb 0.08 -1.93 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1s3h n GLN 322 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s3h n GLY 323 N -0.45 4.18 3.51 1.69 0.00 0.12 -4.63 105.19 109.61 1s3h n GLY 323 Ca 0.28 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 1s3h n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3h n ALA 324 N 12.67 0.91 -0.01 4.61 0.00 -1.26 -4.03 120.51 133.40 1s3h n ALA 324 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 1s3h n ALA 324 Cb 0.00 -2.54 -0.13 0.00 0.00 0.00 0.00 19.45 16.78 1s3h n ALA 324 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s3h h GLU 325 N 11.59 0.00 0.00 0.00 9.09 -1.80 -3.34 114.58 130.11 1s3h h GLU 325 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1s3h h GLU 325 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1s3h h GLU 325 CO 1.50 0.47 0.77 0.38 0.05 0.00 0.00 179.01 182.17 1s3h h ASP 326 N 0.00 0.00 0.00 3.06 2.03 -1.88 1.20 116.42 120.82 1s3h h ASP 326 Ca -0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1s3h h ASP 326 Cb 1.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.42 1s3h h ASP 326 CO 0.07 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 1s3h n LYS 327 N -1.91 0.79 -0.36 4.15 5.02 -1.26 -3.72 118.16 120.87 1s3h n LYS 327 Ca -0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1s3h n LYS 327 Cb 0.77 -1.17 0.13 0.00 -0.02 0.00 0.00 35.03 34.75 1s3h n LYS 327 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1s3h h MET 328 N 0.09 1.18 -0.01 1.97 4.05 0.11 0.19 114.93 122.51 1s3h h MET 328 Ca 0.00 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1s3h h MET 328 Cb 0.17 -0.27 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1s3h h MET 328 CO 0.00 0.78 -0.07 -0.44 0.23 0.00 0.00 176.91 177.41 1s3h h ASP 329 N 1.21 0.02 0.02 1.39 3.32 -1.83 0.13 116.42 120.68 1s3h h ASP 329 Ca 0.39 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 1s3h h ASP 329 Cb 0.01 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1s3h h ASP 329 CO -0.13 0.09 -0.45 -0.33 -1.72 0.00 0.00 179.24 176.71 1s3h h GLU 330 N 0.02 0.26 0.00 3.56 5.08 -1.28 -3.20 114.58 119.02 1s3h h GLU 330 Ca 0.00 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 1s3h h GLU 330 Cb 0.14 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1s3h h GLU 330 CO 0.01 1.05 -0.46 0.28 -1.00 0.00 0.00 179.01 178.88 1s3h h VAL 331 N -0.38 1.30 0.00 3.13 2.07 -0.99 -1.94 116.25 119.44 1s3h h VAL 331 Ca -0.06 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1s3h h VAL 331 Cb 1.22 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1s3h h VAL 331 CO 0.09 0.45 0.00 0.80 0.02 0.00 0.00 177.57 178.93 1s3h n MET 332 N -3.93 0.13 -0.01 1.57 0.00 0.44 -2.20 117.12 113.11 1s3h n MET 332 Ca -0.01 0.33 0.09 0.00 -0.00 0.00 0.00 57.70 58.11 1s3h n MET 332 Cb 0.49 -1.73 -0.14 0.00 0.00 0.00 0.00 33.22 31.85 1s3h n MET 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s3h n ALA 333 N -1.67 2.78 0.08 -5.12 0.00 -0.79 -4.39 120.51 111.40 1s3h n ALA 333 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1s3h n ALA 333 Cb 0.23 -0.62 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1s3h n ALA 333 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1s3h h GLU 334 N 0.00 0.13 -0.23 0.00 4.57 -0.92 -3.37 114.58 114.77 1s3h h GLU 334 Ca 0.00 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1s3h h GLU 334 Cb 0.79 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 1s3h h GLU 334 CO 0.00 1.09 -0.43 0.28 -1.18 0.00 0.00 179.01 178.77 1s3h h VAL 335 N 0.04 0.00 -0.94 0.32 2.07 -1.66 0.11 116.25 116.19 1s3h h VAL 335 Ca -0.08 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.72 1s3h h VAL 335 Cb 1.88 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.50 1s3h h VAL 335 CO 0.16 0.00 0.34 -0.65 0.02 0.00 0.00 177.57 177.44 1s3h h PRO 336 N -0.37 0.20 -0.27 1.57 0.11 -1.82 0.36 132.00 131.77 1s3h h PRO 336 Ca 0.04 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.95 1s3h h PRO 336 Cb 0.49 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1s3h h PRO 336 CO -0.41 0.13 -0.58 0.00 -0.21 0.00 0.00 178.00 176.93 1s3h h ARG 337 N 0.20 0.87 -0.24 1.05 3.08 -1.44 -2.05 114.38 115.85 1s3h h ARG 337 Ca 0.64 -0.57 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1s3h h ARG 337 Cb 1.39 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1s3h h ARG 337 CO -0.68 1.21 -0.02 0.28 -1.07 0.00 0.00 179.97 179.68 1s3h h VAL 338 N 0.66 1.27 0.14 2.04 2.07 0.18 -2.18 116.25 120.42 1s3h h VAL 338 Ca 0.01 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1s3h h VAL 338 Cb 1.19 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1s3h h VAL 338 CO 0.13 0.30 -0.40 -0.09 0.02 0.00 0.00 177.57 177.53 1s3h h ARG 339 N 0.21 -0.63 -0.83 1.57 2.43 -0.43 -1.56 114.38 115.14 1s3h h ARG 339 Ca 0.07 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.49 1s3h h ARG 339 Cb 0.46 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.02 1s3h h ARG 339 CO 0.02 -0.42 0.20 -0.22 -1.51 0.00 0.00 179.97 178.03 1s3h h LYS 340 N -0.65 0.21 -0.71 0.20 3.64 -1.30 0.44 116.57 118.40 1s3h h LYS 340 Ca 0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1s3h h LYS 340 Cb 0.67 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1s3h h LYS 340 CO -0.22 0.14 0.47 0.00 -2.27 0.00 0.00 179.45 177.57 1s3h h ALA 341 N 1.73 1.54 -0.00 5.00 0.00 -0.64 -0.84 119.26 126.04 1s3h h ALA 341 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1s3h h ALA 341 Cb 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1s3h h ALA 341 CO -0.62 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.00 1s3h n ALA 342 N -2.43 2.66 -0.26 0.00 0.00 0.15 -2.09 120.51 118.53 1s3h n ALA 342 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1s3h n ALA 342 Cb 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1s3h n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3h n GLY 343 N 1.14 1.02 3.41 0.00 0.00 -0.32 -4.49 105.19 105.95 1s3h n GLY 343 Ca 0.19 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1s3h n GLY 343 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s3h n PHE 344 N -2.10 -2.26 -2.61 1.61 3.01 -0.85 -1.94 117.46 112.32 1s3h n PHE 344 Ca 0.00 0.82 -0.34 0.00 1.01 0.00 0.00 57.45 58.94 1s3h n PHE 344 Cb 0.02 -4.28 -0.04 0.00 -0.01 0.00 0.00 39.48 35.17 1s3h n PHE 344 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1s3h s PRO 345 N -5.03 3.94 0.37 -1.08 0.04 -1.26 -4.54 135.00 127.43 1s3h s PRO 345 Ca 0.30 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1s3h s PRO 345 Cb -0.06 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 1s3h s PRO 345 CO 0.76 -0.31 1.46 -2.30 0.04 0.00 0.00 177.00 176.66 1s3h n PRO 346 N -0.81 2.59 -2.34 0.56 -0.02 -1.25 -4.84 135.00 128.90 1s3h n PRO 346 Ca 0.08 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 1s3h n PRO 346 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1s3h n PRO 346 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s3h n LEU 347 N 0.56 6.24 -4.54 2.45 4.77 -1.26 -4.66 117.00 120.57 1s3h n LEU 347 Ca 0.02 -4.41 -0.25 0.00 -0.03 0.00 0.00 56.01 51.34 1s3h n LEU 347 Cb 0.38 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.79 1s3h n LEU 347 CO 0.64 1.05 -0.27 0.68 -1.33 0.00 0.00 177.39 178.16 1s3h s VAL 348 N 1.71 1.39 0.29 4.08 -7.23 -1.26 -4.63 120.40 114.75 1s3h s VAL 348 Ca 0.44 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1s3h s VAL 348 Cb 0.08 -2.76 -0.11 0.00 0.56 0.00 0.00 36.38 34.15 1s3h s VAL 348 CO -0.01 0.00 1.48 -0.89 -0.31 0.00 0.00 175.10 175.37 1s3h s THR 349 N -3.06 2.38 -0.97 5.32 2.01 -1.26 -0.59 115.64 119.47 1s3h s THR 349 Ca 0.32 0.34 0.23 0.00 0.31 0.00 0.00 61.69 62.89 1s3h s THR 349 Cb 0.08 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.26 1s3h s THR 349 CO 0.15 0.06 1.15 -0.81 -0.69 0.00 0.00 174.62 174.48 1s3h n PRO 350 N 1.80 0.02 -0.27 4.92 -0.04 -1.26 -4.78 135.00 135.39 1s3h n PRO 350 Ca 0.05 -0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1s3h n PRO 350 Cb 0.39 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 1s3h n PRO 350 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1s3h h SER 351 N 0.00 -0.26 -0.66 3.54 0.02 -1.28 -1.13 113.55 113.79 1s3h h SER 351 Ca 0.00 0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1s3h h SER 351 Cb 0.52 0.33 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 1s3h h SER 351 CO 0.00 -0.17 0.36 0.77 -1.14 0.00 0.00 176.83 176.65 1s3h h SER 352 N 0.13 0.52 0.14 3.07 4.64 -1.11 0.17 113.55 121.12 1s3h h SER 352 Ca 0.45 0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.58 1s3h h SER 352 Cb 0.84 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1s3h h SER 352 CO -0.67 0.34 -0.89 1.56 -0.87 0.00 0.00 176.83 176.29 1s3h h GLN 353 N 0.66 0.56 -0.40 4.77 7.50 -1.52 -0.06 115.11 126.63 1s3h h GLN 353 Ca 0.30 -0.54 0.01 0.00 0.50 0.00 0.00 58.65 58.92 1s3h h GLN 353 Cb 0.21 0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1s3h h GLN 353 CO -0.19 1.17 0.25 0.82 -1.50 0.00 0.00 178.83 179.37 1s3h h ILE 354 N 0.35 1.07 -0.07 2.54 2.04 -0.59 0.14 117.51 122.98 1s3h h ILE 354 Ca -0.08 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1s3h h ILE 354 Cb 1.52 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1s3h h ILE 354 CO 0.17 0.09 -0.16 0.58 0.00 0.00 0.00 178.15 178.83 1s3h h VAL 355 N 0.50 1.42 0.08 1.67 2.07 -0.71 -2.65 116.25 118.63 1s3h h VAL 355 Ca 0.15 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.21 1s3h h VAL 355 Cb -0.02 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1s3h h VAL 355 CO -0.06 0.42 -0.21 1.23 0.02 0.00 0.00 177.57 178.96 1s3h h GLY 356 N -0.26 -0.37 0.54 2.17 0.00 -0.78 -0.55 103.07 103.83 1s3h h GLY 356 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1s3h h GLY 356 CO 0.03 -0.19 -0.32 -0.84 0.00 0.00 0.00 176.54 175.22 1s3h h THR 357 N -0.38 0.33 -0.99 4.70 2.02 -0.82 -2.21 112.91 115.56 1s3h h THR 357 Ca 0.04 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.37 1s3h h THR 357 Cb 0.42 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.07 1s3h h THR 357 CO -0.14 0.00 0.62 -0.61 0.37 0.00 0.00 175.52 175.75 1s3h h GLN 358 N -0.60 0.81 -0.68 6.66 5.75 -1.30 0.36 115.11 126.12 1s3h h GLN 358 Ca 0.01 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 1s3h h GLN 358 Cb 0.59 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1s3h h GLN 358 CO -0.13 0.54 0.45 0.00 -2.65 0.00 0.00 178.83 177.04 1s3h h ALA 359 N 1.59 1.84 0.11 3.38 0.00 -0.48 -1.88 119.26 123.82 1s3h h ALA 359 Ca 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1s3h h ALA 359 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1s3h h ALA 359 CO -0.30 0.03 -0.05 0.28 0.00 0.00 0.00 179.25 179.21 1s3h h VAL 360 N 0.61 1.08 0.00 0.00 2.07 0.03 -2.64 116.25 117.40 1s3h h VAL 360 Ca 0.30 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1s3h h VAL 360 Cb 0.40 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1s3h h VAL 360 CO -0.10 0.21 0.00 0.49 0.02 0.00 0.00 177.57 178.19 1s3h n PHE 361 N -4.97 0.00 -0.06 1.57 0.99 -0.75 0.01 117.46 114.24 1s3h n PHE 361 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.34 1s3h n PHE 361 Cb 0.24 -0.09 -0.14 0.00 -1.00 0.00 0.00 39.48 38.49 1s3h n PHE 361 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1s3h n ASN 362 N -1.09 0.73 0.10 4.37 4.13 -0.91 -2.84 115.26 119.74 1s3h n ASN 362 Ca 0.01 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.37 1s3h n ASN 362 Cb 0.01 1.22 -0.01 0.00 -1.54 0.00 0.00 39.78 39.46 1s3h n ASN 362 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1s3h h VAL 363 N 0.00 0.06 0.00 2.41 2.07 -0.08 -3.10 116.25 117.62 1s3h h VAL 363 Ca -0.32 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1s3h h VAL 363 Cb 1.68 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1s3h h VAL 363 CO 0.02 0.03 0.00 0.23 0.02 0.00 0.00 177.57 177.87 1s3h n MET 364 N -2.71 0.00 -0.13 1.57 2.81 0.85 -4.76 117.12 114.75 1s3h n MET 364 Ca -0.01 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.84 1s3h n MET 364 Cb 0.58 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.13 1s3h n MET 364 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1s3h h MET 365 N 0.00 0.10 0.00 0.03 2.86 -1.80 -3.48 114.93 112.64 1s3h h MET 365 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1s3h h MET 365 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1s3h h MET 365 CO 0.00 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.45 1s3h n GLY 366 N -1.28 2.97 3.58 8.32 0.00 -1.13 -4.91 105.19 112.74 1s3h n GLY 366 Ca 0.03 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1s3h n GLY 366 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s3h s GLU 367 N -2.12 2.80 -1.91 1.61 2.12 -1.17 -1.94 118.70 118.10 1s3h s GLU 367 Ca 0.00 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.17 1s3h s GLU 367 Cb 0.00 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.95 1s3h s GLU 367 CO 0.00 -2.48 0.00 0.66 -0.54 0.00 0.00 175.26 172.90 1s3h n TYR 368 N 13.04 -0.26 0.25 5.30 0.53 -1.26 -4.79 117.16 129.97 1s3h n TYR 368 Ca 0.32 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 57.29 1s3h n TYR 368 Cb 0.48 -3.27 0.65 0.00 -1.03 0.00 0.00 39.34 36.18 1s3h n TYR 368 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1s3h h LYS 369 N 0.00 0.00 -2.69 -0.72 3.64 -1.63 -3.40 116.57 111.76 1s3h h LYS 369 Ca -0.39 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 1s3h h LYS 369 Cb 1.22 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 1s3h h LYS 369 CO 0.55 0.09 -0.35 0.50 -2.27 0.00 0.00 179.45 177.97 1s3h s ARG 370 N -4.66 0.34 0.09 1.90 3.52 -1.26 -5.04 118.95 113.84 1s3h s ARG 370 Ca -0.04 0.79 0.08 0.00 -0.13 0.00 0.00 55.73 56.43 1s3h s ARG 370 Cb 0.15 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 1s3h s ARG 370 CO 0.64 -0.18 -0.14 -1.64 -0.81 0.00 0.00 175.30 173.17 1s3h s MET 371 N 1.65 2.01 0.86 5.12 -1.94 -1.26 -4.84 119.30 120.90 1s3h s MET 371 Ca -0.08 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 52.73 1s3h s MET 371 Cb -0.09 -2.23 0.11 0.00 2.01 0.00 0.00 34.83 34.63 1s3h s MET 371 CO -0.12 0.51 1.09 0.95 -0.01 0.00 0.00 175.02 177.44 1s3h s THR 372 N -1.13 2.85 0.34 2.05 -4.23 -1.26 -4.86 115.64 109.40 1s3h s THR 372 Ca 0.19 0.28 0.11 0.00 -1.18 0.00 0.00 61.69 61.08 1s3h s THR 372 Cb -0.11 -2.80 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1s3h s THR 372 CO 0.11 -0.36 1.75 1.23 -0.54 0.00 0.00 174.62 176.81 1s3h h GLY 373 N -1.40 0.03 0.61 3.99 0.00 -2.00 -2.09 103.07 102.21 1s3h h GLY 373 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1s3h h GLY 373 CO 0.55 0.03 -0.02 0.83 0.00 0.00 0.00 176.54 177.92 1s3h h GLU 374 N 0.02 -0.06 -0.20 4.80 3.07 -1.98 -2.29 114.58 117.95 1s3h h GLU 374 Ca -0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1s3h h GLU 374 Cb 0.80 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 1s3h h GLU 374 CO 0.06 0.33 -0.01 0.35 -1.40 0.00 0.00 179.01 178.33 1s3h h PHE 375 N -0.45 -0.04 -0.99 4.33 3.57 -1.83 -0.98 116.94 120.56 1s3h h PHE 375 Ca -0.01 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.68 1s3h h PHE 375 Cb 0.41 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.09 1s3h h PHE 375 CO 0.06 -0.04 0.60 0.00 -2.23 0.00 0.00 178.31 176.69 1s3h h ALA 376 N 1.18 1.61 -0.57 2.41 0.00 -1.36 0.32 119.26 122.84 1s3h h ALA 376 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1s3h h ALA 376 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s3h h ALA 376 CO -0.17 0.00 0.18 -0.44 0.00 0.00 0.00 179.25 178.83 1s3h h ASP 377 N 0.80 0.79 -0.16 0.00 3.45 -0.60 -0.69 116.42 120.01 1s3h h ASP 377 Ca 0.56 -0.12 -0.09 0.00 0.43 0.00 0.00 57.03 57.80 1s3h h ASP 377 Cb 0.80 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1s3h h ASP 377 CO -0.36 0.74 -0.26 0.40 -1.57 0.00 0.00 179.24 178.19 1s3h h ILE 378 N 0.83 1.35 0.00 0.35 2.04 -0.22 0.40 117.51 122.26 1s3h h ILE 378 Ca 0.19 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 1s3h h ILE 378 Cb 0.23 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1s3h h ILE 378 CO -0.01 0.45 -0.17 0.24 0.00 0.00 0.00 178.15 178.66 1s3h h MET 379 N 0.10 0.00 0.00 2.37 2.86 -1.02 -2.45 114.93 116.78 1s3h h MET 379 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s3h h MET 379 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1s3h h MET 379 CO 0.06 0.17 -0.98 1.28 1.06 0.00 0.00 176.91 178.50 1s3h n LEU 380 N -4.04 0.63 0.00 1.22 4.77 -0.29 -4.77 117.00 114.51 1s3h n LEU 380 Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1s3h n LEU 380 Cb 0.25 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1s3h n LEU 380 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1s3h n GLY 381 N 1.34 0.99 0.00 -0.72 0.00 -0.69 -1.18 105.19 104.93 1s3h n GLY 381 Ca 0.02 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1s3h n GLY 381 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s3h n TYR 382 N -2.01 0.00 0.60 1.61 4.02 0.05 -1.81 117.16 119.61 1s3h n TYR 382 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 1s3h n TYR 382 Cb 0.00 -0.30 0.04 0.00 -0.02 0.00 0.00 39.34 39.06 1s3h n TYR 382 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s3h n TYR 383 N -1.30 0.00 0.00 -0.72 0.53 -1.25 -4.81 117.16 109.61 1s3h n TYR 383 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.99 1s3h n TYR 383 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 1s3h n TYR 383 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1s3h n GLY 384 N 0.89 0.19 3.84 2.72 0.00 -0.75 -4.88 105.19 107.20 1s3h n GLY 384 Ca 0.07 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1s3h n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3h s ALA 385 N -2.00 3.58 0.47 4.61 0.00 -1.26 -4.55 121.76 122.61 1s3h s ALA 385 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1s3h s ALA 385 Cb 0.00 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1s3h s ALA 385 CO 0.00 0.45 0.71 -1.12 0.00 0.00 0.00 175.76 175.80 1s3h s SER 386 N -1.67 5.84 0.44 0.00 0.01 -1.26 -4.50 113.70 112.56 1s3h s SER 386 Ca 0.37 0.40 0.12 0.00 1.31 0.00 0.00 55.95 58.14 1s3h s SER 386 Cb -0.15 -1.62 0.97 0.00 0.21 0.00 0.00 66.02 65.42 1s3h s SER 386 CO 0.19 -0.73 2.02 -0.65 0.41 0.00 0.00 173.24 174.47 1s3h h PRO 387 N 0.31 0.18 -5.06 12.44 0.11 -1.74 -3.43 132.00 134.82 1s3h h PRO 387 Ca -0.46 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.26 1s3h h PRO 387 Cb 1.25 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 1s3h h PRO 387 CO 0.58 0.24 -0.76 0.00 -0.21 0.00 0.00 178.00 177.85 1s3h s ALA 388 N -4.93 1.01 0.35 -0.75 0.00 -0.82 -5.07 121.76 111.56 1s3h s ALA 388 Ca -0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.65 1s3h s ALA 388 Cb 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.13 1s3h s ALA 388 CO 0.71 0.07 1.29 -0.25 0.00 0.00 0.00 175.76 177.58 1s3h n ASP 389 N 1.17 2.73 -4.83 0.00 8.00 -1.26 -4.21 116.55 118.15 1s3h n ASP 389 Ca -0.20 1.19 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 1s3h n ASP 389 Cb 0.55 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.10 1s3h n ASP 389 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s3h s ARG 390 N -1.93 4.15 -0.35 -1.24 0.52 -1.26 -4.55 118.95 114.30 1s3h s ARG 390 Ca 0.56 0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 56.39 1s3h s ARG 390 Cb -0.56 -2.36 -0.09 0.00 0.52 0.00 0.00 34.95 32.46 1s3h s ARG 390 CO 0.62 0.09 2.27 -3.47 0.02 0.00 0.00 175.30 174.83 1s3h n ASP 391 N -0.38 2.52 -0.23 0.23 -0.08 -0.89 -4.82 116.55 112.90 1s3h n ASP 391 Ca 0.05 0.16 0.25 0.00 -1.51 0.00 0.00 54.79 53.74 1s3h n ASP 391 Cb 0.53 -1.42 0.62 0.00 2.34 0.00 0.00 41.12 43.20 1s3h n ASP 391 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1s3h h PRO 392 N 14.66 0.19 0.20 -0.67 0.11 -1.93 -1.30 132.00 143.26 1s3h h PRO 392 Ca -0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1s3h h PRO 392 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s3h h PRO 392 CO 1.04 0.13 -0.11 0.87 -0.21 0.00 0.00 178.00 179.71 1s3h h LYS 393 N 0.19 -0.27 -0.58 1.05 1.79 -2.00 -1.39 116.57 115.36 1s3h h LYS 393 Ca 0.47 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 59.13 1s3h h LYS 393 Cb 1.52 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.21 1s3h h LYS 393 CO -0.11 -0.18 0.42 0.28 -1.08 0.00 0.00 179.45 178.79 1s3h h VAL 394 N -0.28 0.69 0.32 0.50 2.07 -1.83 -0.34 116.25 117.38 1s3h h VAL 394 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1s3h h VAL 394 Cb 0.22 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1s3h h VAL 394 CO 0.03 0.00 -0.16 0.58 0.02 0.00 0.00 177.57 178.05 1s3h h VAL 395 N 0.00 0.70 -0.25 2.57 2.07 -0.97 -1.70 116.25 118.67 1s3h h VAL 395 Ca 0.27 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1s3h h VAL 395 Cb 1.12 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1s3h h VAL 395 CO -0.00 0.05 -0.13 0.50 0.02 0.00 0.00 177.57 178.00 1s3h h LYS 396 N -0.56 -0.10 -1.00 1.57 3.64 0.03 0.73 116.57 120.89 1s3h h LYS 396 Ca -0.04 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.53 1s3h h LYS 396 Cb 0.41 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.15 1s3h h LYS 396 CO 0.07 -0.07 0.61 -0.07 -2.27 0.00 0.00 179.45 177.73 1s3h h LEU 397 N -0.10 0.77 -0.33 5.20 3.38 -1.16 0.19 115.31 123.25 1s3h h LEU 397 Ca 0.14 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1s3h h LEU 397 Cb 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1s3h h LEU 397 CO -0.32 0.27 -0.61 0.00 0.09 0.00 0.00 178.44 177.88 1s3h h ALA 398 N 1.64 0.50 -0.63 1.53 0.00 -0.18 -0.01 119.26 122.11 1s3h h ALA 398 Ca 0.58 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1s3h h ALA 398 Cb 0.91 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1s3h h ALA 398 CO -0.37 0.69 0.36 1.49 0.00 0.00 0.00 179.25 181.41 1s3h h GLU 399 N 0.56 0.65 -0.12 0.00 4.81 0.15 0.38 114.58 121.01 1s3h h GLU 399 Ca -0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 1s3h h GLU 399 Cb 1.20 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1s3h h GLU 399 CO 0.13 0.43 -0.69 0.93 -0.73 0.00 0.00 179.01 179.08 1s3h h GLU 400 N 0.67 0.50 0.00 1.92 5.08 -0.79 0.11 114.58 122.07 1s3h h GLU 400 Ca 0.28 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1s3h h GLU 400 Cb 0.15 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1s3h h GLU 400 CO -0.16 1.01 -0.18 0.37 -1.00 0.00 0.00 179.01 179.05 1s3h h GLN 401 N 0.36 0.00 0.00 2.33 4.15 -0.63 -3.37 115.11 117.94 1s3h h GLN 401 Ca -0.02 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.11 1s3h h GLN 401 Cb 1.26 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.90 1s3h h GLN 401 CO 0.12 0.00 -2.04 -1.13 -1.93 0.00 0.00 178.83 173.85 1s3h n SER 402 N -2.65 2.21 0.00 -0.69 3.41 0.09 -4.99 113.62 111.01 1s3h n SER 402 Ca 0.04 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1s3h n SER 402 Cb 0.49 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1s3h n SER 402 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s3h n GLY 403 N 2.37 0.41 3.83 5.00 0.00 0.02 -5.05 105.19 111.78 1s3h n GLY 403 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1s3h n GLY 403 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3h s LYS 404 N -0.88 4.14 0.08 1.61 1.02 -1.25 -5.04 119.74 119.41 1s3h s LYS 404 Ca 0.00 0.81 -0.07 0.00 0.02 0.00 0.00 55.97 56.73 1s3h s LYS 404 Cb 0.00 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1s3h s LYS 404 CO 0.00 0.23 0.36 0.15 -0.92 0.00 0.00 175.35 175.17 1s3h s LYS 405 N -2.61 3.67 0.32 1.68 1.02 -1.26 -4.53 119.74 118.02 1s3h s LYS 405 Ca 0.51 0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.23 1s3h s LYS 405 Cb -0.13 -2.96 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 1s3h s LYS 405 CO 0.19 0.55 1.38 -2.14 -0.92 0.00 0.00 175.35 174.41 1s3h s PRO 406 N -2.14 4.28 0.31 -1.68 0.02 -1.26 -4.99 135.00 129.54 1s3h s PRO 406 Ca 0.35 2.32 0.10 0.00 0.02 0.00 0.00 61.00 63.79 1s3h s PRO 406 Cb -0.13 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 1s3h s PRO 406 CO 0.20 -0.33 -0.10 0.96 -0.33 0.00 0.00 177.00 177.41 1s3h s ILE 407 N -0.84 2.55 0.00 2.83 -4.36 -0.32 -5.05 121.20 116.01 1s3h s ILE 407 Ca 0.53 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1s3h s ILE 407 Cb -0.42 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1s3h s ILE 407 CO 0.53 -0.29 0.01 0.35 0.24 0.00 0.00 174.94 175.77 1s3h n THR 408 N -0.78 0.00 -3.07 8.37 -2.24 -1.26 -4.39 114.28 110.92 1s3h n THR 408 Ca -0.05 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1s3h n THR 408 Cb 0.61 1.59 0.01 0.00 -2.10 0.00 0.00 70.33 70.44 1s3h n THR 408 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s3h s GLN 409 N -0.01 3.05 -0.27 -0.78 2.00 -1.26 -4.88 119.66 117.51 1s3h s GLN 409 Ca 0.00 -0.61 -0.40 0.00 -2.00 0.00 0.00 55.36 52.34 1s3h s GLN 409 Cb 0.00 -2.61 -0.16 0.00 0.80 0.00 0.00 33.01 31.04 1s3h s GLN 409 CO 0.00 -0.22 1.70 -2.13 -0.50 0.00 0.00 175.29 174.14 1s3h n ARG 410 N -2.00 1.07 -0.34 1.67 0.63 -1.26 -4.80 116.66 111.63 1s3h n ARG 410 Ca 0.01 0.39 0.18 0.00 -0.92 0.00 0.00 57.85 57.51 1s3h n ARG 410 Cb 0.58 -2.06 0.38 0.00 0.45 0.00 0.00 32.46 31.81 1s3h n ARG 410 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1s3h h PRO 411 N 6.87 0.54 0.00 -0.14 0.11 -1.87 0.66 132.00 138.16 1s3h h PRO 411 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s3h h PRO 411 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s3h h PRO 411 CO 0.95 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 1s3h n ALA 412 N -2.32 1.40 0.29 -0.75 0.00 -1.26 -2.12 120.51 115.75 1s3h n ALA 412 Ca 0.27 0.12 0.17 0.00 0.00 0.00 0.00 53.44 54.00 1s3h n ALA 412 Cb 0.75 -1.34 0.82 0.00 0.00 0.00 0.00 19.45 19.68 1s3h n ALA 412 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s3h h ASP 413 N 0.00 0.00 -0.00 0.00 5.19 -1.20 -2.11 116.42 118.29 1s3h h ASP 413 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1s3h h ASP 413 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1s3h h ASP 413 CO 0.00 0.00 -0.77 0.18 -3.12 0.00 0.00 179.24 175.53 1s3h n LEU 414 N -2.75 0.84 -4.74 1.55 4.77 -0.90 -4.97 117.00 110.81 1s3h n LEU 414 Ca -0.01 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 1s3h n LEU 414 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1s3h n LEU 414 CO 0.19 0.21 0.69 -0.76 -1.33 0.00 0.00 177.39 176.39 1s3h s LEU 415 N -2.75 4.55 0.53 2.23 1.43 -0.80 -5.05 118.68 118.81 1s3h s LEU 415 Ca 0.07 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1s3h s LEU 415 Cb 0.13 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 1s3h s LEU 415 CO 0.67 -0.03 0.81 -2.16 0.23 0.00 0.00 176.35 175.88 1s3h s PRO 416 N -0.47 3.04 0.52 1.29 0.04 -1.26 -4.86 135.00 133.29 1s3h s PRO 416 Ca 0.45 -0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.13 1s3h s PRO 416 Cb -0.25 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1s3h s PRO 416 CO 0.32 -0.50 1.21 -2.30 0.04 0.00 0.00 177.00 175.76 1s3h n PRO 417 N -2.38 1.51 0.00 0.56 -0.02 -1.26 -4.64 135.00 128.76 1s3h n PRO 417 Ca 0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1s3h n PRO 417 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1s3h n PRO 417 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1s3h n GLU 418 N -0.68 1.34 -0.13 -0.52 0.28 -1.26 -4.87 120.64 114.80 1s3h n GLU 418 Ca 0.10 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 1s3h n GLU 418 Cb 0.44 -0.11 -0.03 0.00 1.43 0.00 0.00 31.44 33.17 1s3h n GLU 418 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 1s3h h TRP 419 N 0.00 -1.05 -0.54 -1.84 2.91 -1.95 0.70 115.95 114.19 1s3h h TRP 419 Ca 0.00 0.06 0.06 0.00 1.13 0.00 0.00 58.89 60.14 1s3h h TRP 419 Cb 0.00 0.52 -0.05 0.00 -0.51 0.00 0.00 29.16 29.12 1s3h h TRP 419 CO 0.00 -0.41 0.24 0.93 -1.03 0.00 0.00 178.44 178.18 1s3h h GLU 420 N -0.28 0.45 -0.58 2.65 3.07 -1.99 0.54 114.58 118.45 1s3h h GLU 420 Ca 0.16 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1s3h h GLU 420 Cb 0.56 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1s3h h GLU 420 CO -0.56 0.30 0.31 -0.22 -1.40 0.00 0.00 179.01 177.44 1s3h h LYS 421 N 0.47 0.79 0.08 2.33 3.64 -1.17 -1.94 116.57 120.76 1s3h h LYS 421 Ca 0.25 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1s3h h LYS 421 Cb 0.21 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1s3h h LYS 421 CO -0.21 0.59 -0.04 1.96 -2.27 0.00 0.00 179.45 179.48 1s3h h GLN 422 N 0.80 -0.10 -0.60 1.90 1.08 0.20 -3.12 115.11 115.28 1s3h h GLN 422 Ca 0.21 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.51 1s3h h GLN 422 Cb 0.02 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.37 1s3h h GLN 422 CO -0.03 0.38 -0.41 0.77 -0.95 0.00 0.00 178.83 178.59 1s3h h SER 423 N -0.63 -1.41 0.73 1.46 0.02 0.39 -1.15 113.55 112.97 1s3h h SER 423 Ca -0.01 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1s3h h SER 423 Cb 0.52 0.66 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1s3h h SER 423 CO 0.02 -0.33 -0.49 0.11 -1.14 0.00 0.00 176.83 175.01 1s3h h LYS 424 N -0.20 -1.11 -0.57 3.45 1.79 -1.47 -2.10 116.57 116.36 1s3h h LYS 424 Ca 0.20 0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.85 1s3h h LYS 424 Cb 0.56 0.25 -0.11 0.00 -1.58 0.00 0.00 32.23 31.35 1s3h h LYS 424 CO -0.70 -0.74 -0.29 0.93 -1.08 0.00 0.00 179.45 177.57 1s3h h GLU 425 N -1.15 -0.13 -0.07 3.15 5.08 -1.38 0.45 114.58 120.52 1s3h h GLU 425 Ca -0.10 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1s3h h GLU 425 Cb 0.94 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1s3h h GLU 425 CO 0.08 -0.09 -0.20 0.00 -1.00 0.00 0.00 179.01 177.80 1s3h h ALA 426 N 1.12 1.54 0.00 3.43 0.00 -1.19 -2.39 119.26 121.77 1s3h h ALA 426 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s3h h ALA 426 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1s3h h ALA 426 CO -0.65 0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1s3h n ALA 427 N -2.49 1.49 1.07 0.00 0.00 0.14 -1.81 120.51 118.90 1s3h n ALA 427 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1s3h n ALA 427 Cb 0.29 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.62 1s3h n ALA 427 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s3h n THR 428 N -1.72 0.00 -2.85 0.00 -2.24 -0.90 -4.92 114.28 101.65 1s3h n THR 428 Ca 0.02 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1s3h n THR 428 Cb 0.14 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 1s3h n THR 428 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s3h s LEU 429 N -2.54 4.40 -0.01 3.22 1.43 -0.75 -4.98 118.68 119.44 1s3h s LEU 429 Ca 0.19 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 1s3h s LEU 429 Cb 0.18 -3.39 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 1s3h s LEU 429 CO 0.58 -0.12 1.98 -0.75 0.23 0.00 0.00 176.35 178.27 1s3h s LYS 430 N 0.51 3.98 0.00 1.70 2.20 -1.26 -2.09 119.74 124.77 1s3h s LYS 430 Ca 0.45 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1s3h s LYS 430 Cb -0.21 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 1s3h s LYS 430 CO 0.25 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.51 1s3h n GLY 431 N 4.71 1.07 3.47 5.54 0.00 -1.26 -3.56 105.19 115.16 1s3h n GLY 431 Ca 0.21 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.70 1s3h n GLY 431 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1s3h n PHE 432 N -0.04 0.28 0.92 1.61 -0.00 -0.89 -4.88 117.46 114.46 1s3h n PHE 432 Ca 0.00 0.96 0.11 0.00 -0.00 0.00 0.00 57.45 58.52 1s3h n PHE 432 Cb 0.00 -2.07 0.05 0.00 -0.00 0.00 0.00 39.48 37.46 1s3h n PHE 432 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1s3h n ASN 433 N 1.78 2.45 0.00 -2.13 0.23 -1.26 -4.99 115.26 111.34 1s3h n ASN 433 Ca 0.18 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1s3h n ASN 433 Cb 0.18 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1s3h n ASN 433 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s3h n GLY 434 N 1.29 2.51 3.85 4.83 0.00 -1.26 -5.05 105.19 111.35 1s3h n GLY 434 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1s3h n GLY 434 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3h s THR 435 N -2.31 4.45 0.24 2.61 -4.23 -1.26 -4.96 115.64 110.18 1s3h s THR 435 Ca 0.00 0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 61.32 1s3h s THR 435 Cb 0.00 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.33 1s3h s THR 435 CO 0.00 -0.97 1.83 0.44 -0.54 0.00 0.00 174.62 175.38 1s3h h ASP 436 N -0.21 1.02 -0.77 3.99 3.32 -1.99 -2.45 116.42 119.32 1s3h h ASP 436 Ca -0.44 -0.13 0.15 0.00 0.02 0.00 0.00 57.03 56.63 1s3h h ASP 436 Cb 1.20 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.34 1s3h h ASP 436 CO 0.60 0.88 -0.21 -0.33 -1.72 0.00 0.00 179.24 178.47 1s3h h GLU 437 N 1.10 -0.01 -0.53 3.56 3.07 -1.98 0.26 114.58 120.06 1s3h h GLU 437 Ca 0.26 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.01 1s3h h GLU 437 Cb 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1s3h h GLU 437 CO -0.03 -0.01 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.01 1s3h h ASP 438 N -0.01 1.03 -0.85 1.42 5.19 -1.83 -1.42 116.42 119.95 1s3h h ASP 438 Ca 0.36 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1s3h h ASP 438 Cb 0.57 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.75 1s3h h ASP 438 CO -0.79 1.15 0.56 0.58 -3.12 0.00 0.00 179.24 177.62 1s3h h VAL 439 N 0.91 1.22 -0.48 -1.35 2.07 -0.54 -1.27 116.25 116.80 1s3h h VAL 439 Ca 0.14 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1s3h h VAL 439 Cb 0.70 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1s3h h VAL 439 CO 0.05 0.21 0.12 -0.07 0.02 0.00 0.00 177.57 177.90 1s3h h LEU 440 N 1.15 0.73 -0.87 2.57 3.38 -0.20 -0.59 115.31 121.48 1s3h h LEU 440 Ca 0.31 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1s3h h LEU 440 Cb -0.13 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.35 1s3h h LEU 440 CO -0.07 0.77 0.50 0.74 0.09 0.00 0.00 178.44 180.48 1s3h h THR 441 N 0.65 0.89 -0.29 0.22 2.02 -0.18 0.24 112.91 116.48 1s3h h THR 441 Ca 0.15 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.88 1s3h h THR 441 Cb 0.33 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1s3h h THR 441 CO 0.00 0.15 -0.50 0.22 0.37 0.00 0.00 175.52 175.76 1s3h h TYR 442 N 0.82 0.99 -0.43 3.16 3.20 -0.90 0.44 116.97 124.25 1s3h h TYR 442 Ca 0.43 -0.34 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1s3h h TYR 442 Cb 0.42 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1s3h h TYR 442 CO -0.05 1.14 -0.19 0.00 -1.64 0.00 0.00 178.16 177.42 1s3h h ALA 443 N 0.80 0.86 0.16 1.82 0.00 -0.04 -1.62 119.26 121.25 1s3h h ALA 443 Ca 0.03 -0.36 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1s3h h ALA 443 Cb 1.09 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1s3h h ALA 443 CO 0.11 0.64 -1.35 -0.07 0.00 0.00 0.00 179.25 178.58 1s3h h LEU 444 N 0.73 0.55 -6.15 0.00 3.38 -0.50 -3.40 115.31 109.91 1s3h h LEU 444 Ca 0.11 -0.60 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 1s3h h LEU 444 Cb 0.71 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 40.89 1s3h h LEU 444 CO 0.05 1.47 -0.97 0.49 0.09 0.00 0.00 178.44 179.58 1s3h n PHE 445 N -3.58 0.40 -0.29 1.13 3.01 0.14 -4.18 117.46 114.09 1s3h n PHE 445 Ca -0.12 -3.65 0.18 0.00 1.01 0.00 0.00 57.45 54.87 1s3h n PHE 445 Cb 1.05 -0.29 0.46 0.00 -0.01 0.00 0.00 39.48 40.69 1s3h n PHE 445 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1s3h h PRO 446 N 4.39 0.48 -0.13 -1.08 0.11 -1.50 0.12 132.00 134.39 1s3h h PRO 446 Ca 0.13 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.01 1s3h h PRO 446 Cb 0.84 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1s3h h PRO 446 CO 0.52 0.32 -0.74 1.96 -0.21 0.00 0.00 178.00 179.85 1s3h h GLN 447 N 0.50 0.63 0.06 1.05 1.08 -1.93 -3.36 115.11 113.14 1s3h h GLN 447 Ca 0.52 -0.50 -0.36 0.00 -1.45 0.00 0.00 58.65 56.87 1s3h h GLN 447 Cb 1.18 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.67 1s3h h GLN 447 CO -0.25 1.12 -2.08 0.28 -0.95 0.00 0.00 178.83 176.95 1s3h n VAL 448 N -3.90 1.64 -0.33 -0.54 0.31 -0.76 -4.38 118.33 110.37 1s3h n VAL 448 Ca -0.06 -0.69 0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1s3h n VAL 448 Cb 0.72 -1.38 0.31 0.00 -0.91 0.00 0.00 33.84 32.58 1s3h n VAL 448 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s3h n ALA 449 N -2.93 0.54 0.40 3.52 0.00 0.35 -1.12 120.51 121.26 1s3h n ALA 449 Ca -0.32 1.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 1s3h n ALA 449 Cb 1.05 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 1s3h n ALA 449 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s3h h PRO 450 N 0.00 -1.04 -0.76 0.00 0.11 -1.76 0.92 132.00 129.47 1s3h h PRO 450 Ca 0.61 0.07 0.11 0.00 0.11 0.00 0.00 66.00 66.90 1s3h h PRO 450 Cb 1.29 0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.59 1s3h h PRO 450 CO -0.90 -0.69 0.50 0.28 -0.21 0.00 0.00 178.00 176.98 1s3h h VAL 451 N -1.08 0.89 -0.02 3.15 2.07 -1.47 -2.13 116.25 117.67 1s3h h VAL 451 Ca -0.10 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1s3h h VAL 451 Cb 0.85 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1s3h h VAL 451 CO 0.12 0.11 -0.26 0.15 0.02 0.00 0.00 177.57 177.71 1s3h h PHE 452 N 0.60 0.30 -0.17 1.57 3.57 -0.99 -2.94 116.94 118.88 1s3h h PHE 452 Ca 0.36 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1s3h h PHE 452 Cb 0.58 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1s3h h PHE 452 CO -0.00 0.92 0.18 0.74 -2.23 0.00 0.00 178.31 177.92 1s3h h PHE 453 N -0.41 0.00 0.00 0.41 0.05 -0.39 0.16 116.94 116.76 1s3h h PHE 453 Ca -0.03 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.66 1s3h h PHE 453 Cb 0.98 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.91 1s3h h PHE 453 CO 0.16 0.00 -0.92 1.49 -0.18 0.00 0.00 178.31 178.86 1s3h h GLU 454 N 0.00 0.00 0.00 1.51 4.81 -1.36 -3.38 114.58 116.16 1s3h h GLU 454 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1s3h h GLU 454 Cb 0.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1s3h h GLU 454 CO -0.00 0.30 -1.65 0.72 -0.73 0.00 0.00 179.01 177.65 1s3h n HIS 455 N -2.99 0.00 -0.31 0.92 8.25 -0.50 -4.66 115.22 115.94 1s3h n HIS 455 Ca -0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 1s3h n HIS 455 Cb 0.73 -0.33 0.25 0.00 1.12 0.00 0.00 29.99 31.77 1s3h n HIS 455 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1s3h n ARG 456 N -2.00 -0.07 0.15 -0.41 0.63 0.44 0.11 116.66 115.51 1s3h n ARG 456 Ca -0.03 1.33 0.19 0.00 -0.92 0.00 0.00 57.85 58.42 1s3h n ARG 456 Cb 0.38 -2.10 0.78 0.00 0.45 0.00 0.00 32.46 31.96 1s3h n ARG 456 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s3h h ALA 457 N 1.77 1.94 0.00 5.13 0.00 -1.85 0.27 119.26 126.53 1s3h h ALA 457 Ca 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1s3h h ALA 457 Cb 1.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1s3h h ALA 457 CO -0.84 -0.53 -0.07 0.93 0.00 0.00 0.00 179.25 178.74 1s3h h GLU 458 N 0.00 0.00 0.00 0.00 5.08 0.41 -3.48 114.58 116.58 1s3h h GLU 458 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1s3h h GLU 458 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1s3h h GLU 458 CO -0.00 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1s3h n GLY 459 N -0.43 1.18 3.73 -3.84 0.00 0.96 -5.00 105.19 101.79 1s3h n GLY 459 Ca -0.01 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1s3h n GLY 459 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s3h s PRO 460 N -2.89 2.07 0.42 1.61 0.04 -1.23 -4.82 135.00 130.20 1s3h s PRO 460 Ca 0.00 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1s3h s PRO 460 Cb 0.00 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1s3h s PRO 460 CO 0.00 -1.83 0.17 0.72 0.04 0.00 0.00 177.00 176.10 1s3h n HIS 461 N -3.15 0.02 -4.55 0.56 8.25 0.43 -5.01 115.22 111.78 1s3h n HIS 461 Ca 0.11 -2.75 -0.21 0.00 -0.26 0.00 0.00 57.72 54.61 1s3h n HIS 461 Cb 0.52 0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.51 1s3h n HIS 461 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1s3h s SER 462 N -3.59 1.47 -0.15 0.41 0.15 -1.26 -4.76 113.70 105.98 1s3h s SER 462 Ca 0.24 -0.23 0.16 0.00 0.70 0.00 0.00 55.95 56.82 1s3h s SER 462 Cb 0.01 -0.26 0.60 0.00 -1.71 0.00 0.00 66.02 64.66 1s3h s SER 462 CO 0.17 0.13 1.51 1.33 1.20 0.00 0.00 173.24 177.58 1s3h n VAL 463 N 2.96 2.08 -2.66 4.45 0.24 -1.26 -4.97 118.33 119.16 1s3h n VAL 463 Ca -0.16 -1.50 -0.23 0.00 -2.04 0.00 0.00 64.34 60.42 1s3h n VAL 463 Cb 0.55 -0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 1s3h n VAL 463 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s3h s ALA 464 N -2.31 3.66 0.54 2.33 0.00 -1.26 -5.06 121.76 119.66 1s3h s ALA 464 Ca 0.44 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 1s3h s ALA 464 Cb 0.32 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1s3h s ALA 464 CO 0.15 -0.71 1.07 -0.51 0.00 0.00 0.00 175.76 175.77 1s3h s LEU 465 N -4.79 3.72 0.46 0.00 1.43 0.29 -5.04 118.68 114.75 1s3h s LEU 465 Ca 0.54 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.59 1s3h s LEU 465 Cb -0.10 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 1s3h s LEU 465 CO 0.40 -1.04 0.73 0.42 0.23 0.00 0.00 176.35 177.08 1s3h s THR 466 N -2.03 4.71 0.50 5.49 -4.23 -1.26 -4.80 115.64 114.02 1s3h s THR 466 Ca 0.68 -0.07 0.20 0.00 -1.18 0.00 0.00 61.69 61.33 1s3h s THR 466 Cb -0.19 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.23 1s3h s THR 466 CO 0.27 -0.68 2.02 0.44 -0.54 0.00 0.00 174.62 176.13 1s3h h ASP 467 N 0.33 0.10 0.18 3.99 3.32 -1.99 0.26 116.42 122.61 1s3h h ASP 467 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1s3h h ASP 467 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1s3h h ASP 467 CO 0.61 0.06 -0.09 0.00 -1.72 0.00 0.00 179.24 178.10 1s3h h ALA 468 N 1.78 -0.25 -0.68 3.45 0.00 -2.00 -2.42 119.26 119.13 1s3h h ALA 468 Ca 0.21 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1s3h h ALA 468 Cb 0.68 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1s3h h ALA 468 CO -0.02 -0.38 0.45 1.96 0.00 0.00 0.00 179.25 181.26 1s3h h GLN 469 N -0.77 0.68 0.90 0.00 4.20 -1.65 -0.63 115.11 117.85 1s3h h GLN 469 Ca -0.03 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1s3h h GLN 469 Cb 0.51 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1s3h h GLN 469 CO 0.04 0.45 -0.43 1.25 -0.67 0.00 0.00 178.83 179.47 1s3h h LEU 470 N 0.70 -1.03 -0.94 1.46 5.85 -0.47 -2.09 115.31 118.79 1s3h h LEU 470 Ca 0.29 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1s3h h LEU 470 Cb 0.26 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1s3h h LEU 470 CO -0.09 -0.72 0.61 0.50 -0.34 0.00 0.00 178.44 178.40 1s3h h LYS 471 N -1.25 1.25 0.00 1.25 3.64 -1.13 -1.65 116.57 118.69 1s3h h LYS 471 Ca -0.12 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1s3h h LYS 471 Cb 0.93 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1s3h h LYS 471 CO 0.20 0.84 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 1s3h h ALA 472 N 1.34 1.00 0.14 5.00 0.00 -1.02 -2.81 119.26 122.91 1s3h h ALA 472 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.90 1s3h h ALA 472 Cb -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s3h h ALA 472 CO -0.07 0.00 -1.85 1.49 0.00 0.00 0.00 179.25 178.82 1s3h h GLU 473 N 0.00 0.30 0.00 0.00 4.81 -0.58 -3.50 114.58 115.60 1s3h h GLU 473 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1s3h h GLU 473 Cb 0.23 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1s3h h GLU 473 CO 0.00 1.24 0.00 0.00 -0.73 0.00 0.00 179.01 179.52