#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4x s ALA 3 N 0.00 2.48 -0.05 -1.46 0.00 -1.26 -5.08 121.76 116.40 2a4x s ALA 3 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 2a4x s ALA 3 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.90 2a4x s ALA 3 CO 0.00 -1.43 0.14 -0.98 0.00 0.00 0.00 175.76 173.49 2a4x s ARG 4 N -4.82 0.21 -0.08 0.00 1.70 -1.26 -5.11 118.95 109.59 2a4x s ARG 4 Ca 0.61 0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 2a4x s ARG 4 Cb -0.16 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.27 2a4x s ARG 4 CO 0.53 -0.03 1.61 0.42 -1.08 0.00 0.00 175.30 176.74 2a4x s ILE 5 N -0.14 3.67 -0.15 4.99 1.01 -1.26 -4.87 121.20 124.46 2a4x s ILE 5 Ca -0.02 0.81 0.12 0.00 0.00 0.00 0.00 60.65 61.56 2a4x s ILE 5 Cb -0.02 -3.54 -0.18 0.00 0.01 0.00 0.00 42.46 38.74 2a4x s ILE 5 CO 0.00 -0.09 0.04 -0.24 0.00 0.00 0.00 174.94 174.65 2a4x n SER 6 N 7.22 1.49 -3.53 3.58 2.88 -1.26 -4.90 113.62 119.11 2a4x n SER 6 Ca 0.17 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.57 2a4x n SER 6 Cb 0.43 0.79 -0.04 0.00 -0.75 0.00 0.00 64.21 64.64 2a4x n SER 6 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2a4x s LEU 7 N -5.12 -0.24 -0.01 2.46 0.05 -1.26 -1.66 118.68 112.90 2a4x s LEU 7 Ca -0.08 0.15 0.08 0.00 0.05 0.00 0.00 54.13 54.33 2a4x s LEU 7 Cb 0.04 2.28 -0.02 0.00 -2.05 0.00 0.00 46.19 46.44 2a4x s LEU 7 CO 0.58 -0.78 -0.24 -0.36 -0.55 0.00 0.00 176.35 175.00 2a4x s PHE 8 N -2.76 2.18 0.05 3.48 0.08 -0.45 -4.95 117.98 115.61 2a4x s PHE 8 Ca -0.04 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.64 2a4x s PHE 8 Cb -0.00 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2a4x s PHE 8 CO -0.04 -0.02 -0.10 0.00 -0.10 0.00 0.00 175.22 174.96 2a4x s ALA 9 N -0.60 0.80 0.01 5.36 0.00 -1.26 -0.33 121.76 125.75 2a4x s ALA 9 Ca 0.10 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2a4x s ALA 9 Cb -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2a4x s ALA 9 CO -0.01 0.07 -0.20 0.14 0.00 0.00 0.00 175.76 175.76 2a4x s VAL 10 N -1.21 1.61 -0.14 0.00 -7.23 -0.20 -4.94 120.40 108.29 2a4x s VAL 10 Ca -0.06 -1.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 2a4x s VAL 10 Cb -0.09 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2a4x s VAL 10 CO 0.01 0.33 0.51 -0.69 -0.31 0.00 0.00 175.10 174.95 2a4x s VAL 11 N -0.63 5.15 0.02 1.32 1.01 -1.26 -1.84 120.40 124.17 2a4x s VAL 11 Ca 0.07 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.14 2a4x s VAL 11 Cb -0.08 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2a4x s VAL 11 CO 0.00 0.28 -0.25 0.68 0.00 0.00 0.00 175.10 175.82 2a4x s VAL 12 N 0.93 1.97 0.09 2.92 -7.23 -0.10 -4.94 120.40 114.04 2a4x s VAL 12 Ca 0.27 -1.22 -0.10 0.00 -1.81 0.00 0.00 61.98 59.11 2a4x s VAL 12 Cb -0.15 -1.67 -0.22 0.00 0.56 0.00 0.00 36.38 34.90 2a4x s VAL 12 CO 0.11 0.40 1.23 -0.08 -0.31 0.00 0.00 175.10 176.45 2a4x h GLU 13 N 5.08 0.58 -3.78 4.82 4.81 -1.96 -2.66 114.58 121.47 2a4x h GLU 13 Ca -0.44 -0.64 -0.50 0.00 -0.13 0.00 0.00 59.36 57.65 2a4x h GLU 13 Cb 1.14 0.18 -0.39 0.00 0.63 0.00 0.00 28.75 30.32 2a4x h GLU 13 CO 0.45 1.24 -0.77 0.34 -0.73 0.00 0.00 179.01 179.54 2a4x s ASP 14 N -7.22 2.45 0.07 1.04 -1.08 -1.26 -4.77 116.67 105.91 2a4x s ASP 14 Ca -0.08 -0.53 -0.26 0.00 -0.52 0.00 0.00 52.55 51.15 2a4x s ASP 14 Cb 0.08 -0.64 -0.17 0.00 -1.46 0.00 0.00 42.92 40.73 2a4x s ASP 14 CO 0.90 -0.23 1.65 -0.03 0.52 0.00 0.00 175.17 177.98 2a4x h MET 15 N 8.24 -0.28 -0.57 4.34 1.85 -1.87 -2.07 114.93 124.57 2a4x h MET 15 Ca -0.20 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 58.97 2a4x h MET 15 Cb 1.12 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 33.16 2a4x h MET 15 CO 0.33 -0.15 0.28 0.00 -0.40 0.00 0.00 176.91 176.97 2a4x h ALA 16 N 0.44 0.74 -0.50 0.39 0.00 -1.89 0.06 119.26 118.50 2a4x h ALA 16 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2a4x h ALA 16 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2a4x h ALA 16 CO 0.05 -0.08 0.22 0.87 0.00 0.00 0.00 179.25 180.32 2a4x h LYS 17 N 0.53 0.73 -0.22 0.00 1.57 -1.93 -1.60 116.57 115.65 2a4x h LYS 17 Ca 0.26 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2a4x h LYS 17 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2a4x h LYS 17 CO -0.19 0.62 0.02 1.03 -0.57 0.00 0.00 179.45 180.36 2a4x h SER 18 N 0.66 0.36 -0.91 0.86 0.87 -1.01 -3.05 113.55 111.33 2a4x h SER 18 Ca 0.17 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2a4x h SER 18 Cb 0.15 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 2a4x h SER 18 CO -0.02 0.56 0.59 -0.07 -0.53 0.00 0.00 176.83 177.36 2a4x h LEU 19 N 0.15 0.98 -1.13 2.23 3.38 -0.84 -2.25 115.31 117.83 2a4x h LEU 19 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2a4x h LEU 19 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2a4x h LEU 19 CO 0.01 0.67 0.13 -0.08 0.09 0.00 0.00 178.44 179.26 2a4x h GLU 20 N 1.14 0.74 -0.04 1.13 4.57 -1.25 -0.50 114.58 120.37 2a4x h GLU 20 Ca 0.37 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2a4x h GLU 20 Cb 0.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 2a4x h GLU 20 CO -0.12 0.67 0.02 0.35 -1.18 0.00 0.00 179.01 178.74 2a4x h PHE 21 N 0.72 0.06 0.00 0.92 3.57 -1.31 -2.31 116.94 118.60 2a4x h PHE 21 Ca 0.16 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2a4x h PHE 21 Cb 0.25 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2a4x h PHE 21 CO 0.01 0.17 -0.29 1.88 -2.23 0.00 0.00 178.31 177.85 2a4x h TYR 22 N -0.06 0.00 -0.12 0.41 0.05 -1.15 -1.34 116.97 114.76 2a4x h TYR 22 Ca 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 2a4x h TYR 22 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2a4x h TYR 22 CO -0.03 0.29 -0.31 0.00 -1.05 0.00 0.00 178.16 177.05 2a4x h ARG 23 N 0.00 0.23 0.00 4.88 3.08 -0.90 -1.28 114.38 120.38 2a4x h ARG 23 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2a4x h ARG 23 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2a4x h ARG 23 CO 0.04 0.53 0.00 0.87 -1.07 0.00 0.00 179.97 180.34 2a4x h LYS 24 N 0.20 0.00 -0.55 0.04 1.57 -0.67 -2.63 116.57 114.53 2a4x h LYS 24 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2a4x h LYS 24 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2a4x h LYS 24 CO 0.05 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.21 2a4x n LEU 25 N -2.81 4.95 0.00 2.94 4.77 -0.54 -4.94 117.00 121.36 2a4x n LEU 25 Ca 0.01 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2a4x n LEU 25 Cb 0.25 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2a4x n LEU 25 CO 0.24 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 2a4x n GLY 26 N 0.67 0.88 3.69 -0.72 0.00 -0.99 -5.04 105.19 103.67 2a4x n GLY 26 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2a4x n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4x s VAL 27 N -2.74 4.30 -0.53 1.61 1.01 -0.88 -4.96 120.40 118.21 2a4x s VAL 27 Ca 0.00 1.62 -0.28 0.00 0.00 0.00 0.00 61.98 63.32 2a4x s VAL 27 Cb 0.00 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2a4x s VAL 27 CO 0.00 -0.01 1.47 -1.61 0.00 0.00 0.00 175.10 174.95 2a4x s GLU 28 N 2.29 3.29 -0.06 2.72 0.41 -1.26 -4.21 118.70 121.88 2a4x s GLU 28 Ca 0.55 0.60 -0.01 0.00 -0.41 0.00 0.00 54.97 55.70 2a4x s GLU 28 Cb -0.24 -4.13 0.03 0.00 -1.78 0.00 0.00 34.13 28.01 2a4x s GLU 28 CO 0.21 -1.94 0.00 0.42 -0.49 0.00 0.00 175.26 173.47 2a4x s ILE 29 N 6.25 0.30 0.62 -1.63 1.01 -1.26 -4.81 121.20 121.68 2a4x s ILE 29 Ca 0.57 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 61.16 2a4x s ILE 29 Cb -0.12 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 2a4x s ILE 29 CO 0.26 0.23 1.30 -2.16 0.00 0.00 0.00 174.94 174.58 2a4x s PRO 30 N 1.78 2.74 0.36 2.79 0.04 -1.26 -4.90 135.00 136.55 2a4x s PRO 30 Ca 0.02 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.20 2a4x s PRO 30 Cb -0.13 -1.96 0.68 0.00 0.04 0.00 0.00 34.50 33.13 2a4x s PRO 30 CO -0.04 -1.46 1.91 0.00 0.04 0.00 0.00 177.00 177.45 2a4x h ALA 31 N 0.81 1.45 -0.08 8.56 0.00 -2.03 -2.30 119.26 125.68 2a4x h ALA 31 Ca -0.51 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.26 2a4x h ALA 31 Cb 1.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2a4x h ALA 31 CO 0.54 0.39 0.13 0.93 0.00 0.00 0.00 179.25 181.25 2a4x h GLU 32 N 0.47 0.00 0.00 0.00 3.07 -2.04 -1.80 114.58 114.28 2a4x h GLU 32 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2a4x h GLU 32 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2a4x h GLU 32 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 2a4x n ALA 33 N -2.23 1.61 0.25 3.43 0.00 -0.86 -2.89 120.51 119.82 2a4x n ALA 33 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 2a4x n ALA 33 Cb 0.22 -1.31 0.65 0.00 0.00 0.00 0.00 19.45 19.01 2a4x n ALA 33 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a4x h ASP 34 N 0.00 0.00 -0.31 0.00 5.19 -1.51 -2.01 116.42 117.77 2a4x h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2a4x h ASP 34 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2a4x h ASP 34 CO 0.00 0.10 0.00 -1.20 -3.12 0.00 0.00 179.24 175.02 2a4x n SER 35 N -4.13 2.56 -4.86 6.45 7.64 -1.14 -4.04 113.62 116.10 2a4x n SER 35 Ca -0.03 -1.88 -0.35 0.00 1.01 0.00 0.00 58.87 57.63 2a4x n SER 35 Cb 0.19 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 2a4x n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a4x s ALA 36 N -1.59 3.66 -0.69 -0.43 0.00 -0.76 -4.97 121.76 116.97 2a4x s ALA 36 Ca 0.35 -0.27 0.26 0.00 0.00 0.00 0.00 51.96 52.29 2a4x s ALA 36 Cb 0.19 -2.38 0.72 0.00 0.00 0.00 0.00 23.12 21.65 2a4x s ALA 36 CO 0.28 0.52 1.72 -1.00 0.00 0.00 0.00 175.76 177.28 2a4x h PRO 37 N 3.57 0.00 -2.79 0.00 0.13 -1.92 -3.44 132.00 127.55 2a4x h PRO 37 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 2a4x h PRO 37 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 2a4x h PRO 37 CO 0.66 0.00 -0.37 -1.58 -0.23 0.00 0.00 178.00 176.48 2a4x s HIS 38 N -3.12 -0.50 0.04 1.56 5.65 -1.26 -1.90 115.29 115.76 2a4x s HIS 38 Ca 0.10 1.09 0.05 0.00 0.25 0.00 0.00 55.06 56.55 2a4x s HIS 38 Cb 0.12 0.18 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 2a4x s HIS 38 CO 0.62 -0.30 -0.14 0.99 -0.65 0.00 0.00 174.74 175.25 2a4x s THR 39 N 1.34 1.11 -0.01 0.89 2.01 0.04 -4.98 115.64 116.05 2a4x s THR 39 Ca -0.09 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.90 2a4x s THR 39 Cb -0.09 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2a4x s THR 39 CO -0.11 -0.01 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.13 2a4x s GLU 40 N -1.18 0.63 -0.02 4.92 2.02 -1.26 -0.00 118.70 123.79 2a4x s GLU 40 Ca 0.01 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.82 2a4x s GLU 40 Cb -0.08 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.53 2a4x s GLU 40 CO 0.01 0.13 -0.19 0.00 0.02 0.00 0.00 175.26 175.23 2a4x s ALA 41 N -0.03 1.57 -0.26 5.21 0.00 0.25 -4.97 121.76 123.53 2a4x s ALA 41 Ca 0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 2a4x s ALA 41 Cb -0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2a4x s ALA 41 CO -0.00 0.36 0.52 0.08 0.00 0.00 0.00 175.76 176.72 2a4x s VAL 42 N -0.33 5.06 0.51 0.00 1.01 -1.26 -0.94 120.40 124.45 2a4x s VAL 42 Ca 0.05 0.87 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 2a4x s VAL 42 Cb -0.08 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2a4x s VAL 42 CO 0.00 0.07 0.85 -0.76 0.00 0.00 0.00 175.10 175.26 2a4x s LEU 43 N 2.32 3.55 -0.08 3.92 1.43 0.81 -4.95 118.68 125.70 2a4x s LEU 43 Ca 0.21 1.08 -0.34 0.00 -1.03 0.00 0.00 54.13 54.05 2a4x s LEU 43 Cb -0.16 -4.05 -0.12 0.00 0.03 0.00 0.00 46.19 41.89 2a4x s LEU 43 CO 0.09 -0.63 1.85 -0.67 0.23 0.00 0.00 176.35 177.22 2a4x n ASP 44 N -2.26 3.36 0.00 2.29 4.64 -1.26 -1.35 116.55 121.97 2a4x n ASP 44 Ca 0.02 0.99 0.00 0.00 -1.38 0.00 0.00 54.79 54.42 2a4x n ASP 44 Cb 0.55 -1.36 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 2a4x n ASP 44 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2a4x n GLY 45 N 4.30 2.54 0.00 0.27 0.00 -1.26 -4.67 105.19 106.37 2a4x n GLY 45 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2a4x n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a4x n GLY 46 N -0.76 1.01 3.76 -0.02 0.00 -0.45 -5.09 105.19 103.64 2a4x n GLY 46 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2a4x n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a4x s ILE 47 N -1.43 2.29 0.13 -0.61 1.01 -1.26 -4.65 121.20 116.68 2a4x s ILE 47 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.95 2a4x s ILE 47 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2a4x s ILE 47 CO 0.00 0.02 0.01 -0.13 0.00 0.00 0.00 174.94 174.84 2a4x s ARG 48 N -2.57 2.50 -0.14 2.79 0.52 -0.66 -0.13 118.95 121.27 2a4x s ARG 48 Ca 0.64 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2a4x s ARG 48 Cb -0.40 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 2a4x s ARG 48 CO 0.50 0.50 -0.12 -1.17 0.02 0.00 0.00 175.30 175.03 2a4x s LEU 49 N -2.62 2.74 0.20 2.53 2.96 -0.11 -1.34 118.68 123.03 2a4x s LEU 49 Ca 0.27 -0.33 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2a4x s LEU 49 Cb -0.11 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2a4x s LEU 49 CO 0.19 0.15 -0.17 0.00 -1.32 0.00 0.00 176.35 175.20 2a4x s ALA 50 N 0.43 2.12 -0.05 5.97 0.00 0.55 -0.58 121.76 130.20 2a4x s ALA 50 Ca -0.09 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.28 2a4x s ALA 50 Cb -0.16 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2a4x s ALA 50 CO 0.05 0.19 -0.11 -1.58 0.00 0.00 0.00 175.76 174.30 2a4x s TRP 51 N -2.43 1.28 -0.05 0.00 0.51 0.99 -1.03 118.94 118.21 2a4x s TRP 51 Ca 0.20 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.79 2a4x s TRP 51 Cb -0.04 -0.94 0.01 0.00 -0.81 0.00 0.00 33.47 31.69 2a4x s TRP 51 CO 0.08 -0.21 -0.12 -0.51 -0.51 0.00 0.00 176.95 175.68 2a4x s ASP 52 N 0.53 1.63 0.75 2.95 1.01 -0.77 -0.78 116.67 122.00 2a4x s ASP 52 Ca -0.11 -0.27 -0.11 0.00 0.71 0.00 0.00 52.55 52.78 2a4x s ASP 52 Cb -0.14 -0.62 0.04 0.00 1.01 0.00 0.00 42.92 43.22 2a4x s ASP 52 CO 0.02 0.06 1.08 0.42 0.21 0.00 0.00 175.17 176.96 2a4x s THR 53 N 0.44 3.53 0.26 -1.27 -4.23 -0.80 -0.92 115.64 112.64 2a4x s THR 53 Ca -0.09 0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 2a4x s THR 53 Cb -0.13 -3.06 0.25 0.00 1.34 0.00 0.00 72.50 70.90 2a4x s THR 53 CO 0.02 -0.65 1.85 0.58 -0.54 0.00 0.00 174.62 175.89 2a4x h VAL 54 N -1.01 1.00 -0.84 2.29 2.07 -1.77 -1.38 116.25 116.60 2a4x h VAL 54 Ca -0.44 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2a4x h VAL 54 Cb 1.23 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2a4x h VAL 54 CO 0.53 0.19 0.42 -0.33 0.02 0.00 0.00 177.57 178.40 2a4x h GLU 55 N 1.02 1.20 -0.46 1.57 4.39 -1.91 -0.58 114.58 119.82 2a4x h GLU 55 Ca 0.43 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2a4x h GLU 55 Cb 0.29 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2a4x h GLU 55 CO -0.21 0.91 0.21 1.15 -1.16 0.00 0.00 179.01 179.91 2a4x h THR 56 N 1.19 1.19 -0.25 1.13 2.02 -1.58 -1.90 112.91 114.71 2a4x h THR 56 Ca 0.29 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2a4x h THR 56 Cb 0.09 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2a4x h THR 56 CO -0.04 0.21 0.16 0.58 0.37 0.00 0.00 175.52 176.79 2a4x h VAL 57 N 0.59 1.09 0.00 3.16 2.07 -0.94 -2.29 116.25 119.93 2a4x h VAL 57 Ca 0.16 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2a4x h VAL 57 Cb 0.13 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2a4x h VAL 57 CO -0.02 0.09 0.00 0.03 0.02 0.00 0.00 177.57 177.69 2a4x h ARG 58 N 0.32 0.00 -0.57 1.57 3.08 -0.89 0.12 114.38 118.02 2a4x h ARG 58 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2a4x h ARG 58 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2a4x h ARG 58 CO -0.02 0.00 0.32 0.66 -1.07 0.00 0.00 179.97 179.87 2a4x h SER 59 N 0.00 0.69 -0.00 7.04 4.64 -0.74 -2.78 113.55 122.40 2a4x h SER 59 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2a4x h SER 59 Cb 0.20 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2a4x h SER 59 CO 0.00 0.55 -0.04 0.00 -0.87 0.00 0.00 176.83 176.46 2a4x n TYR 60 N -4.40 0.00 -3.28 4.77 0.18 -1.02 -4.76 117.16 108.65 2a4x n TYR 60 Ca 0.05 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.58 2a4x n TYR 60 Cb 0.09 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.97 2a4x n TYR 60 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2a4x n ASP 61 N -0.85 1.60 -0.15 9.48 -0.08 0.40 -5.00 116.55 121.95 2a4x n ASP 61 Ca 0.00 -2.99 0.24 0.00 -1.51 0.00 0.00 54.79 50.53 2a4x n ASP 61 Cb 0.02 -0.65 0.66 0.00 2.34 0.00 0.00 41.12 43.49 2a4x n ASP 61 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a4x h PRO 62 N 4.07 0.10 -0.25 -0.67 0.13 -1.71 -2.55 132.00 131.12 2a4x h PRO 62 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2a4x h PRO 62 Cb 0.79 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2a4x h PRO 62 CO 0.61 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 2a4x n GLU 63 N -4.35 1.87 -1.70 0.86 -0.58 -1.26 -4.95 120.64 110.53 2a4x n GLU 63 Ca 0.16 -1.32 -0.44 0.00 -0.42 0.00 0.00 57.16 55.14 2a4x n GLU 63 Cb 0.80 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 30.26 2a4x n GLU 63 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2a4x n TRP 64 N 0.55 2.40 -3.94 -0.32 -0.00 -0.96 -5.00 117.44 110.17 2a4x n TRP 64 Ca 0.16 0.36 -0.14 0.00 -0.00 0.00 0.00 57.50 57.88 2a4x n TRP 64 Cb 0.37 -2.51 -0.14 0.00 -0.00 0.00 0.00 31.31 29.02 2a4x n TRP 64 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2a4x s GLN 65 N -0.38 0.13 0.17 5.87 -1.52 -1.26 -5.01 119.66 117.67 2a4x s GLN 65 Ca 0.67 -0.02 -0.33 0.00 -1.95 0.00 0.00 55.36 53.72 2a4x s GLN 65 Cb -0.60 -0.17 -0.14 0.00 -0.22 0.00 0.00 33.01 31.88 2a4x s GLN 65 CO 0.49 0.00 1.59 0.00 -0.25 0.00 0.00 175.29 177.11 2a4x n ALA 66 N 3.25 1.57 -1.65 6.09 0.00 -1.26 -4.94 120.51 123.56 2a4x n ALA 66 Ca -0.15 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 2a4x n ALA 66 Cb 0.58 -2.37 0.02 0.00 0.00 0.00 0.00 19.45 17.67 2a4x n ALA 66 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2a4x s PRO 67 N 0.84 3.27 0.17 0.00 0.04 -1.26 -5.07 135.00 132.99 2a4x s PRO 67 Ca 0.77 1.18 0.11 0.00 0.04 0.00 0.00 61.00 63.10 2a4x s PRO 67 Cb -0.65 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2a4x s PRO 67 CO 0.38 -0.85 -0.24 0.95 0.04 0.00 0.00 177.00 177.28 2a4x s THR 68 N -2.52 2.24 0.00 1.26 -4.23 -1.26 -5.07 115.64 106.06 2a4x s THR 68 Ca 0.63 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2a4x s THR 68 Cb -0.16 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2a4x s THR 68 CO 0.39 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2a4x n GLY 69 N 0.49 -0.94 3.74 3.99 0.00 -1.26 -5.03 105.19 106.17 2a4x n GLY 69 Ca -0.15 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 2a4x n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a4x s GLY 70 N 0.00 2.66 0.45 -0.02 0.00 -1.26 -4.96 107.32 104.18 2a4x s GLY 70 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 44.72 45.49 2a4x s GLY 70 CO 0.00 1.42 1.34 -2.38 0.00 0.00 0.00 173.10 173.49 2a4x s HIS 71 N -1.66 2.61 -0.56 1.90 0.00 -1.26 -4.93 115.29 111.39 2a4x s HIS 71 Ca 0.78 1.36 0.23 0.00 -3.00 0.00 0.00 55.06 54.43 2a4x s HIS 71 Cb -0.32 -3.75 0.03 0.00 -4.00 0.00 0.00 32.58 24.55 2a4x s HIS 71 CO 0.38 -2.46 1.01 0.54 -1.00 0.00 0.00 174.74 173.21 2a4x n ARG 72 N -0.22 0.32 -3.91 -0.38 1.74 -1.26 -5.01 116.66 107.94 2a4x n ARG 72 Ca 0.06 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 2a4x n ARG 72 Cb 0.44 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2a4x n ARG 72 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2a4x s PHE 73 N -3.22 0.41 -0.04 -1.55 -0.71 -1.26 -5.18 117.98 106.43 2a4x s PHE 73 Ca 0.03 -0.91 -0.21 0.00 -1.04 0.00 0.00 56.93 54.80 2a4x s PHE 73 Cb 0.14 0.50 0.04 0.00 -1.21 0.00 0.00 43.02 42.49 2a4x s PHE 73 CO 0.80 -1.38 0.45 0.00 -1.34 0.00 0.00 175.22 173.76 2a4x s ALA 74 N -2.76 -1.17 -0.19 1.99 0.00 -1.26 -4.32 121.76 114.05 2a4x s ALA 74 Ca 0.20 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2a4x s ALA 74 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2a4x s ALA 74 CO 0.14 -0.30 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 2a4x s ILE 75 N -1.15 3.16 -0.19 0.00 1.01 -0.82 -4.98 121.20 118.23 2a4x s ILE 75 Ca -0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2a4x s ILE 75 Cb -0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2a4x s ILE 75 CO 0.06 0.46 0.01 0.00 0.00 0.00 0.00 174.94 175.47 2a4x s ALA 76 N 1.17 3.11 -0.13 9.38 0.00 -1.26 -0.82 121.76 133.21 2a4x s ALA 76 Ca 0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2a4x s ALA 76 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2a4x s ALA 76 CO -0.02 -0.03 0.04 -0.06 0.00 0.00 0.00 175.76 175.69 2a4x s PHE 77 N 0.77 3.25 -0.12 0.00 0.40 0.45 -4.95 117.98 117.78 2a4x s PHE 77 Ca 0.01 0.16 -0.07 0.00 -0.60 0.00 0.00 56.93 56.44 2a4x s PHE 77 Cb -0.14 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2a4x s PHE 77 CO 0.02 0.36 0.13 -2.00 0.70 0.00 0.00 175.22 174.43 2a4x s GLU 78 N -0.37 3.44 0.27 0.44 2.12 -1.26 -1.16 118.70 122.18 2a4x s GLU 78 Ca 0.08 -0.16 0.12 0.00 0.36 0.00 0.00 54.97 55.37 2a4x s GLU 78 Cb -0.12 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2a4x s GLU 78 CO 0.02 0.75 -0.20 -0.06 -0.54 0.00 0.00 175.26 175.22 2a4x s PHE 79 N -0.95 2.28 0.28 5.30 0.40 0.14 -4.93 117.98 120.50 2a4x s PHE 79 Ca 0.14 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 2a4x s PHE 79 Cb -0.12 -1.00 0.40 0.00 0.51 0.00 0.00 43.02 42.81 2a4x s PHE 79 CO 0.04 0.70 1.66 -1.00 0.70 0.00 0.00 175.22 177.32 2a4x h PRO 80 N 2.34 0.24 -3.72 0.24 0.13 -1.97 -3.40 132.00 125.86 2a4x h PRO 80 Ca -0.40 -0.13 -0.16 0.00 -0.87 0.00 0.00 66.00 64.44 2a4x h PRO 80 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2a4x h PRO 80 CO 0.59 0.66 -0.05 0.16 -0.23 0.00 0.00 178.00 179.12 2a4x s ASP 81 N -6.88 0.45 0.16 1.44 3.84 -1.26 -4.67 116.67 109.75 2a4x s ASP 81 Ca -0.04 -1.26 -0.15 0.00 -0.00 0.00 0.00 52.55 51.09 2a4x s ASP 81 Cb 0.13 0.69 0.04 0.00 -1.38 0.00 0.00 42.92 42.41 2a4x s ASP 81 CO 0.78 -1.36 1.83 0.74 -0.00 0.00 0.00 175.17 177.15 2a4x h THR 82 N 2.11 1.11 -0.66 2.11 2.02 -1.91 -2.78 112.91 114.92 2a4x h THR 82 Ca -0.29 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 66.79 2a4x h THR 82 Cb 1.24 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.01 2a4x h THR 82 CO 0.38 0.11 0.26 0.00 0.37 0.00 0.00 175.52 176.65 2a4x h ALA 83 N 1.17 0.88 -0.12 6.16 0.00 -1.99 -1.42 119.26 123.94 2a4x h ALA 83 Ca 0.17 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2a4x h ALA 83 Cb -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2a4x h ALA 83 CO -0.04 -0.18 -0.45 0.66 0.00 0.00 0.00 179.25 179.25 2a4x h SER 84 N 0.44 0.29 0.43 0.00 4.64 -1.93 -1.23 113.55 116.21 2a4x h SER 84 Ca 0.34 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2a4x h SER 84 Cb 0.44 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2a4x h SER 84 CO -0.33 0.70 -0.21 0.58 -0.87 0.00 0.00 176.83 176.71 2a4x h VAL 85 N 0.23 0.50 -0.73 0.95 2.07 -1.11 -1.78 116.25 116.38 2a4x h VAL 85 Ca 0.02 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2a4x h VAL 85 Cb 0.88 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2a4x h VAL 85 CO 0.07 0.07 0.43 0.44 0.02 0.00 0.00 177.57 178.61 2a4x h ASP 86 N -0.86 0.68 -0.75 0.57 5.19 -1.27 -1.26 116.42 118.72 2a4x h ASP 86 Ca -0.06 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 2a4x h ASP 86 Cb 0.56 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 2a4x h ASP 86 CO 0.10 0.45 0.34 0.50 -3.12 0.00 0.00 179.24 177.50 2a4x h LYS 87 N 0.81 1.09 -0.40 3.56 3.64 -1.22 -2.21 116.57 121.84 2a4x h LYS 87 Ca 0.31 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2a4x h LYS 87 Cb 0.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2a4x h LYS 87 CO -0.16 0.86 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.58 2a4x h LYS 88 N 1.06 0.77 -0.06 1.90 1.63 -0.80 -0.86 116.57 120.22 2a4x h LYS 88 Ca 0.25 -0.29 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2a4x h LYS 88 Cb 0.15 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2a4x h LYS 88 CO -0.03 0.90 -0.13 -0.92 -3.45 0.00 0.00 179.45 175.82 2a4x h TYR 89 N 0.59 -0.33 -0.92 1.91 5.03 -1.05 0.12 116.97 122.31 2a4x h TYR 89 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2a4x h TYR 89 Cb 0.61 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 2a4x h TYR 89 CO 0.05 -0.20 0.53 0.00 -1.32 0.00 0.00 178.16 177.22 2a4x h ALA 90 N 0.81 1.19 -0.54 1.82 0.00 -1.33 -0.69 119.26 120.52 2a4x h ALA 90 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2a4x h ALA 90 Cb 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2a4x h ALA 90 CO -0.17 0.67 0.23 1.49 0.00 0.00 0.00 179.25 181.47 2a4x h GLU 91 N 1.28 0.79 -0.29 0.00 4.81 -0.47 0.11 114.58 120.82 2a4x h GLU 91 Ca 0.33 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2a4x h GLU 91 Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2a4x h GLU 91 CO -0.06 0.68 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.72 2a4x h LEU 92 N 0.73 0.60 -0.63 1.64 3.38 -0.40 -1.76 115.31 118.87 2a4x h LEU 92 Ca 0.18 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2a4x h LEU 92 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2a4x h LEU 92 CO -0.02 0.85 0.26 0.58 0.09 0.00 0.00 178.44 180.20 2a4x h VAL 93 N 0.34 1.23 0.00 1.22 2.07 -1.03 -1.43 116.25 118.65 2a4x h VAL 93 Ca 0.07 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2a4x h VAL 93 Cb 0.61 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2a4x h VAL 93 CO 0.04 0.28 -0.03 0.44 0.02 0.00 0.00 177.57 178.32 2a4x h ASP 94 N 0.88 0.00 -0.08 0.57 3.32 -0.67 -1.10 116.42 119.34 2a4x h ASP 94 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2a4x h ASP 94 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2a4x h ASP 94 CO -0.02 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 2a4x n ALA 95 N -2.13 2.56 0.00 3.45 0.00 -0.62 -4.91 120.51 118.85 2a4x n ALA 95 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2a4x n ALA 95 Cb 0.19 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2a4x n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4x n GLY 96 N 1.13 0.46 3.87 0.00 0.00 -0.42 -5.07 105.19 105.16 2a4x n GLY 96 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2a4x n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a4x s TYR 97 N -2.00 3.48 -0.19 1.61 2.02 -0.69 -5.01 117.35 116.58 2a4x s TYR 97 Ca 0.00 1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 57.60 2a4x s TYR 97 Cb 0.00 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 2a4x s TYR 97 CO 0.00 -0.24 1.32 -2.00 -1.57 0.00 0.00 175.55 173.06 2a4x s GLU 98 N -4.06 4.14 -0.58 -0.62 2.12 -1.26 -4.16 118.70 114.28 2a4x s GLU 98 Ca 0.54 1.62 -0.20 0.00 0.36 0.00 0.00 54.97 57.29 2a4x s GLU 98 Cb -0.10 -3.82 0.08 0.00 0.26 0.00 0.00 34.13 30.54 2a4x s GLU 98 CO 0.34 -0.83 0.76 0.20 -0.54 0.00 0.00 175.26 175.18 2a4x s GLY 99 N 2.37 1.65 -0.08 -1.50 0.00 -1.26 -1.69 107.32 106.80 2a4x s GLY 99 Ca 0.57 -1.91 -0.24 0.00 0.00 0.00 0.00 44.72 43.15 2a4x s GLY 99 CO 0.18 1.70 0.87 0.84 0.00 0.00 0.00 173.10 176.69 2a4x h HIS 100 N 9.22 -0.05 -3.24 1.90 2.76 -1.02 -3.45 115.15 121.27 2a4x h HIS 100 Ca -0.28 -0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.43 2a4x h HIS 100 Cb 1.08 0.02 -0.39 0.00 1.55 0.00 0.00 27.41 29.67 2a4x h HIS 100 CO 0.85 0.60 -0.76 -0.51 -1.30 0.00 0.00 177.93 176.80 2a4x s LEU 101 N -8.70 0.70 0.73 0.26 1.43 -0.43 -4.96 118.68 107.71 2a4x s LEU 101 Ca -0.15 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2a4x s LEU 101 Cb -0.01 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.81 2a4x s LEU 101 CO 0.58 -0.25 1.18 -1.59 0.23 0.00 0.00 176.35 176.51 2a4x s LYS 102 N 1.97 2.21 0.18 1.70 -2.85 -1.26 -1.01 119.74 120.68 2a4x s LYS 102 Ca 0.03 1.66 -0.32 0.00 -1.00 0.00 0.00 55.97 56.34 2a4x s LYS 102 Cb -0.14 -1.85 -0.15 0.00 -2.06 0.00 0.00 37.83 33.62 2a4x s LYS 102 CO -0.06 -1.76 1.15 -2.30 0.10 0.00 0.00 175.35 172.47 2a4x n PRO 103 N -2.76 1.18 -3.94 1.78 -0.02 -1.25 -4.72 135.00 125.27 2a4x n PRO 103 Ca 0.13 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 2a4x n PRO 103 Cb 0.51 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 2a4x n PRO 103 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2a4x s TRP 104 N -0.28 0.34 -0.55 6.00 -2.14 0.05 -4.96 118.94 117.40 2a4x s TRP 104 Ca 0.72 -0.69 -0.18 0.00 2.66 0.00 0.00 56.10 58.60 2a4x s TRP 104 Cb -0.84 0.05 0.10 0.00 -3.10 0.00 0.00 33.47 29.68 2a4x s TRP 104 CO 0.53 -0.81 0.61 -0.80 -2.66 0.00 0.00 176.95 173.82 2a4x s ASN 105 N -2.97 6.19 0.43 -2.66 0.01 -1.26 -0.33 114.94 114.35 2a4x s ASN 105 Ca 0.18 -1.39 -0.25 0.00 -0.71 0.00 0.00 52.86 50.69 2a4x s ASN 105 Cb 0.02 -2.26 -0.08 0.00 0.41 0.00 0.00 41.25 39.33 2a4x s ASN 105 CO 0.02 -0.96 1.28 0.00 -1.51 0.00 0.00 177.10 175.93 2a4x s ALA 106 N 2.31 3.14 0.64 0.60 0.00 0.08 -4.91 121.76 123.63 2a4x s ALA 106 Ca 0.09 1.17 0.34 0.00 0.00 0.00 0.00 51.96 53.57 2a4x s ALA 106 Cb -0.24 -3.47 1.87 0.00 0.00 0.00 0.00 23.12 21.27 2a4x s ALA 106 CO 0.07 -0.85 2.10 -0.24 0.00 0.00 0.00 175.76 176.84 2a4x h VAL 107 N 2.21 0.14 -0.26 0.00 3.04 -1.96 0.54 116.25 119.97 2a4x h VAL 107 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2a4x h VAL 107 Cb 1.25 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2a4x h VAL 107 CO 0.61 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 174.50 2a4x n TRP 108 N -3.21 0.44 -2.20 3.17 2.14 -1.26 -4.91 117.44 111.60 2a4x n TRP 108 Ca -0.01 -0.20 0.00 0.00 2.07 0.00 0.00 57.50 59.36 2a4x n TRP 108 Cb 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 31.31 30.74 2a4x n TRP 108 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2a4x n GLY 109 N 0.79 0.85 3.05 -1.67 0.00 0.18 -5.04 105.19 103.36 2a4x n GLY 109 Ca 0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2a4x n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a4x s GLN 110 N -4.42 0.36 0.04 1.61 -0.21 -1.23 -2.24 119.66 113.57 2a4x s GLN 110 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 2a4x s GLN 110 Cb 0.00 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.11 2a4x s GLN 110 CO 0.00 -0.08 1.17 0.50 -2.12 0.00 0.00 175.29 174.76 2a4x s ARG 111 N -1.02 4.44 0.05 2.91 6.06 0.27 -0.75 118.95 130.92 2a4x s ARG 111 Ca -0.11 1.71 0.04 0.00 -2.50 0.00 0.00 55.73 54.86 2a4x s ARG 111 Cb -0.06 -3.39 -0.03 0.00 0.06 0.00 0.00 34.95 31.53 2a4x s ARG 111 CO 0.01 -0.25 -0.11 -0.47 -2.50 0.00 0.00 175.30 171.98 2a4x s TYR 112 N 1.20 0.95 0.09 5.12 6.14 0.55 -1.66 117.35 129.73 2a4x s TYR 112 Ca 0.57 -0.46 -0.21 0.00 0.64 0.00 0.00 57.07 57.61 2a4x s TYR 112 Cb -0.28 -0.55 0.05 0.00 0.42 0.00 0.00 41.96 41.61 2a4x s TYR 112 CO 0.28 -0.01 0.50 0.00 0.64 0.00 0.00 175.55 176.96 2a4x s ALA 113 N -1.27 -1.26 -0.03 3.97 0.00 -0.39 -0.77 121.76 122.00 2a4x s ALA 113 Ca -0.05 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2a4x s ALA 113 Cb -0.10 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2a4x s ALA 113 CO 0.01 -0.58 -0.05 0.42 0.00 0.00 0.00 175.76 175.56 2a4x s ILE 114 N -3.01 0.49 0.38 0.00 1.01 -0.18 -0.97 121.20 118.92 2a4x s ILE 114 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2a4x s ILE 114 Cb -0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2a4x s ILE 114 CO -0.06 0.19 0.11 0.68 0.00 0.00 0.00 174.94 175.86 2a4x s VAL 115 N 0.54 0.71 0.02 2.92 -7.23 -0.46 -0.37 120.40 116.53 2a4x s VAL 115 Ca -0.07 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 2a4x s VAL 115 Cb -0.10 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2a4x s VAL 115 CO -0.00 0.00 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.02 2a4x s LYS 116 N -3.77 1.64 0.87 4.82 -0.14 -0.68 -1.35 119.74 121.12 2a4x s LYS 116 Ca 0.27 -0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 53.83 2a4x s LYS 116 Cb 0.04 -1.71 0.15 0.00 -1.68 0.00 0.00 37.83 34.64 2a4x s LYS 116 CO 0.15 0.45 1.21 0.16 -0.76 0.00 0.00 175.35 176.55 2a4x s ASP 117 N -0.96 3.74 0.64 2.83 1.47 -0.26 -4.19 116.67 119.94 2a4x s ASP 117 Ca 0.09 0.27 0.31 0.00 1.18 0.00 0.00 52.55 54.40 2a4x s ASP 117 Cb -0.09 -0.51 1.70 0.00 -0.34 0.00 0.00 42.92 43.68 2a4x s ASP 117 CO 0.01 -2.32 1.99 -0.65 0.68 0.00 0.00 175.17 174.88 2a4x h PRO 118 N -1.24 0.00 -0.72 2.11 0.11 -1.91 0.11 132.00 130.47 2a4x h PRO 118 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a4x h PRO 118 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2a4x h PRO 118 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 2a4x n ASP 119 N -3.17 3.82 0.00 -2.05 9.92 -1.26 -4.93 116.55 118.88 2a4x n ASP 119 Ca 0.00 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 2a4x n ASP 119 Cb 0.38 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2a4x n ASP 119 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a4x n GLY 120 N 1.64 0.57 3.79 0.44 0.00 0.39 -5.04 105.19 106.98 2a4x n GLY 120 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2a4x n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a4x s ASN 121 N -2.04 6.58 -0.03 1.61 0.01 -1.26 -4.72 114.94 115.10 2a4x s ASN 121 Ca 0.00 2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 2a4x s ASN 121 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 2a4x s ASN 121 CO 0.00 -0.61 1.03 -0.69 -1.51 0.00 0.00 177.10 175.32 2a4x s VAL 122 N -1.77 4.71 -0.12 1.60 1.01 -1.26 -1.10 120.40 123.47 2a4x s VAL 122 Ca 0.61 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.55 2a4x s VAL 122 Cb -0.20 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2a4x s VAL 122 CO 0.25 0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 2a4x s VAL 123 N 1.44 1.18 0.03 2.92 1.01 -0.46 -1.94 120.40 124.58 2a4x s VAL 123 Ca 0.52 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2a4x s VAL 123 Cb -0.21 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2a4x s VAL 123 CO 0.24 0.39 0.35 -1.81 0.00 0.00 0.00 175.10 174.27 2a4x s ASP 124 N 1.54 6.62 -0.10 3.32 1.01 0.00 -1.36 116.67 127.71 2a4x s ASP 124 Ca 0.03 0.74 0.04 0.00 0.71 0.00 0.00 52.55 54.07 2a4x s ASP 124 Cb -0.13 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 2a4x s ASP 124 CO -0.08 0.24 -0.24 -0.76 0.21 0.00 0.00 175.17 174.55 2a4x s LEU 125 N -1.65 2.09 0.13 1.23 1.43 -0.14 -0.41 118.68 121.36 2a4x s LEU 125 Ca 0.28 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2a4x s LEU 125 Cb -0.14 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2a4x s LEU 125 CO 0.16 0.16 0.35 0.72 0.23 0.00 0.00 176.35 177.97 2a4x s PHE 126 N 0.32 -0.01 -0.05 0.29 -0.71 -0.31 -1.26 117.98 116.25 2a4x s PHE 126 Ca -0.18 -0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 55.25 2a4x s PHE 126 Cb -0.18 0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.80 2a4x s PHE 126 CO 0.09 -0.70 0.25 0.00 -1.34 0.00 0.00 175.22 173.52 2a4x s ALA 127 N -3.85 -0.62 0.67 1.99 0.00 -0.66 0.23 121.76 119.51 2a4x s ALA 127 Ca 0.07 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 2a4x s ALA 127 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 2a4x s ALA 127 CO -0.08 -0.18 1.07 -1.25 0.00 0.00 0.00 175.76 175.31 2a4x s PRO 128 N -0.61 2.95 -0.75 0.00 0.04 -1.26 -0.56 135.00 134.80 2a4x s PRO 128 Ca -0.07 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2a4x s PRO 128 Cb -0.04 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.70 2a4x s PRO 128 CO 0.02 -1.10 0.57 -0.51 0.04 0.00 0.00 177.00 176.02 2a4x s LEU 129 N -5.17 5.05 0.63 -3.56 1.43 -0.95 -4.68 118.68 111.44 2a4x s LEU 129 Ca 0.61 -3.73 0.42 0.00 -1.03 0.00 0.00 54.13 50.40 2a4x s LEU 129 Cb -0.16 -1.73 2.27 0.00 0.03 0.00 0.00 46.19 46.60 2a4x s LEU 129 CO 0.47 -0.13 2.29 1.55 0.23 0.00 0.00 176.35 180.76 2a4x h PRO 130 N 5.72 0.00 0.00 1.29 0.13 -1.94 -2.60 132.00 134.60 2a4x h PRO 130 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2a4x h PRO 130 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2a4x h PRO 130 CO 0.76 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.46 2a4x h LEU 131 N 0.00 0.00 0.00 1.56 3.38 -1.97 -3.55 115.31 114.72 2a4x h LEU 131 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2a4x h LEU 131 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2a4x h LEU 131 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91