#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2x n GLN 3 N 0.00 0.69 -0.06 -0.67 -0.00 -1.26 -3.66 117.38 112.42 1a2x n GLN 3 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.97 1a2x n GLN 3 Cb 0.00 -1.19 -0.01 0.00 -0.00 0.00 0.00 30.24 29.04 1a2x n GLN 3 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1a2x h GLN 4 N 0.56 0.00 -1.36 2.61 1.08 -2.00 -3.36 115.11 112.63 1a2x h GLN 4 Ca 0.00 0.00 0.40 0.00 -1.45 0.00 0.00 58.65 57.60 1a2x h GLN 4 Cb 0.63 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.01 1a2x h GLN 4 CO 0.00 0.01 1.20 0.00 -0.95 0.00 0.00 178.83 179.09 1a2x h ALA 5 N -0.99 3.27 0.60 3.87 0.00 -1.97 1.30 119.26 125.33 1a2x h ALA 5 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a2x h ALA 5 Cb 0.36 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1a2x h ALA 5 CO -0.00 -1.90 -0.29 1.49 0.00 0.00 0.00 179.25 178.55 1a2x h GLU 6 N 0.00 -0.77 -0.91 0.00 4.57 -1.83 0.30 114.58 115.94 1a2x h GLU 6 Ca 0.65 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 59.07 1a2x h GLU 6 Cb 3.04 0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 31.73 1a2x h GLU 6 CO -0.01 -0.46 0.59 0.00 -1.18 0.00 0.00 179.01 177.96 1a2x h ALA 7 N -0.85 2.07 -0.15 2.92 0.00 0.15 0.29 119.26 123.69 1a2x h ALA 7 Ca -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a2x h ALA 7 Cb 0.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a2x h ALA 7 CO 0.13 -0.36 -0.04 0.00 0.00 0.00 0.00 179.25 178.98 1a2x h ARG 8 N 0.50 0.29 -0.47 0.00 2.47 -0.93 -2.95 114.38 113.28 1a2x h ARG 8 Ca 0.48 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 59.10 1a2x h ARG 8 Cb 1.06 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.33 1a2x h ARG 8 CO -0.21 0.57 0.30 0.66 0.56 0.00 0.00 179.97 181.85 1a2x h SER 9 N -0.02 0.50 -0.03 7.04 4.64 0.25 -2.26 113.55 123.68 1a2x h SER 9 Ca 0.04 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1a2x h SER 9 Cb 0.47 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1a2x h SER 9 CO 0.02 0.36 0.07 0.22 -0.87 0.00 0.00 176.83 176.62 1a2x h TYR 10 N 0.60 0.00 -3.01 4.77 5.03 -0.53 -3.41 116.97 120.42 1a2x h TYR 10 Ca 0.18 0.00 -0.65 0.00 2.58 0.00 0.00 58.73 60.84 1a2x h TYR 10 Cb -0.03 0.00 -0.09 0.00 1.55 0.00 0.00 36.73 38.16 1a2x h TYR 10 CO -0.05 0.00 -0.55 -0.51 -1.32 0.00 0.00 178.16 175.72 1a2x s LEU 11 N -6.65 4.02 1.24 2.82 1.43 -0.85 -5.09 118.68 115.60 1a2x s LEU 11 Ca -0.05 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.06 1a2x s LEU 11 Cb 0.13 -2.28 0.31 0.00 0.03 0.00 0.00 46.19 44.38 1a2x s LEU 11 CO 0.44 0.29 1.11 -0.94 0.23 0.00 0.00 176.35 177.49 1a2x s SER 12 N -1.64 0.56 0.03 2.29 1.04 -1.26 -4.86 113.70 109.87 1a2x s SER 12 Ca 0.22 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 57.00 1a2x s SER 12 Cb -0.12 -0.68 -0.24 0.00 0.10 0.00 0.00 66.02 65.08 1a2x s SER 12 CO 0.13 -4.33 1.12 -0.33 0.98 0.00 0.00 173.24 170.81 1a2x h GLU 13 N -2.73 0.54 0.00 4.02 4.39 -1.96 -2.99 114.58 115.85 1a2x h GLU 13 Ca -0.43 -0.60 -0.02 0.00 0.34 0.00 0.00 59.36 58.65 1a2x h GLU 13 Cb 1.29 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1a2x h GLU 13 CO 0.29 1.23 -0.11 1.05 -1.16 0.00 0.00 179.01 180.31 1a2x h GLU 14 N 0.10 0.00 0.16 2.33 9.09 -1.98 -2.12 114.58 122.17 1a2x h GLU 14 Ca -0.11 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.29 1a2x h GLU 14 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.64 1a2x h GLU 14 CO 0.17 0.11 -0.08 0.52 0.05 0.00 0.00 179.01 179.78 1a2x h MET 15 N 0.00 -0.20 -0.35 1.06 2.86 -1.93 -1.87 114.93 114.50 1a2x h MET 15 Ca -0.00 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1a2x h MET 15 Cb 0.69 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1a2x h MET 15 CO 0.01 0.05 0.32 0.82 1.06 0.00 0.00 176.91 179.17 1a2x h ILE 16 N -1.01 0.55 -0.05 -1.22 2.04 -1.54 0.31 117.51 116.59 1a2x h ILE 16 Ca -0.02 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 1a2x h ILE 16 Cb 0.35 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1a2x h ILE 16 CO 0.04 0.00 -0.79 0.00 0.00 0.00 0.00 178.15 177.39 1a2x h ALA 17 N 1.69 0.54 0.24 1.87 0.00 -1.33 -2.74 119.26 119.53 1a2x h ALA 17 Ca 0.17 -0.64 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1a2x h ALA 17 Cb 0.80 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.57 1a2x h ALA 17 CO -0.00 0.79 -1.54 1.49 0.00 0.00 0.00 179.25 179.99 1a2x h GLU 18 N 0.24 0.50 -0.25 0.00 4.81 0.06 -3.17 114.58 116.78 1a2x h GLU 18 Ca -0.04 -0.86 0.04 0.00 -0.13 0.00 0.00 59.36 58.37 1a2x h GLU 18 Cb 1.39 0.32 -0.04 0.00 0.63 0.00 0.00 28.75 31.05 1a2x h GLU 18 CO 0.13 1.41 -0.00 0.74 -0.73 0.00 0.00 179.01 180.56 1a2x h PHE 19 N 0.14 -0.02 -0.03 0.92 -1.00 -0.57 -2.09 116.94 114.28 1a2x h PHE 19 Ca -0.27 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.55 1a2x h PHE 19 Cb 2.15 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 41.71 1a2x h PHE 19 CO 0.12 -0.04 -0.51 -0.22 -1.61 0.00 0.00 178.31 176.05 1a2x h LYS 20 N 0.07 -0.59 -0.70 1.51 3.64 -1.59 -1.18 116.57 117.73 1a2x h LYS 20 Ca 0.12 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.64 1a2x h LYS 20 Cb 0.15 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.99 1a2x h LYS 20 CO -0.20 -0.39 -0.28 0.00 -2.27 0.00 0.00 179.45 176.31 1a2x n ALA 21 N -2.95 -0.09 -0.05 5.00 0.00 -0.81 0.67 120.51 122.28 1a2x n ALA 21 Ca -0.07 0.69 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 1a2x n ALA 21 Cb 0.37 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1a2x n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a2x h ALA 22 N 0.95 0.22 0.16 0.00 0.00 -1.18 -1.76 119.26 117.66 1a2x h ALA 22 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a2x h ALA 22 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1a2x h ALA 22 CO -0.69 -0.06 -0.19 0.35 0.00 0.00 0.00 179.25 178.66 1a2x h PHE 23 N 0.04 -0.53 -1.10 0.00 3.04 0.11 -1.70 116.94 116.79 1a2x h PHE 23 Ca 0.05 0.01 0.35 0.00 3.98 0.00 0.00 57.97 62.35 1a2x h PHE 23 Cb 0.40 0.21 -0.13 0.00 2.56 0.00 0.00 35.95 38.98 1a2x h PHE 23 CO 0.04 -0.24 0.67 -0.44 -2.02 0.00 0.00 178.31 176.31 1a2x h ASP 24 N -0.36 0.42 -0.78 0.41 5.19 0.18 0.18 116.42 121.66 1a2x h ASP 24 Ca -0.02 0.16 0.15 0.00 -0.62 0.00 0.00 57.03 56.70 1a2x h ASP 24 Cb 0.32 0.12 -0.10 0.00 0.18 0.00 0.00 39.33 39.84 1a2x h ASP 24 CO -0.04 -0.12 0.32 -0.03 -3.12 0.00 0.00 179.24 176.25 1a2x h MET 25 N 0.26 0.43 -0.88 3.56 4.05 -0.37 -0.34 114.93 121.64 1a2x h MET 25 Ca 0.74 -0.03 -0.35 0.00 -0.28 0.00 0.00 59.70 59.78 1a2x h MET 25 Cb 1.92 -0.10 -0.21 0.00 -0.80 0.00 0.00 31.60 32.41 1a2x h MET 25 CO -0.50 0.29 0.45 1.19 0.23 0.00 0.00 176.91 178.56 1a2x n PHE 26 N -5.00 2.69 -3.80 1.39 3.01 0.62 -4.72 117.46 111.64 1a2x n PHE 26 Ca 0.16 -1.47 -0.34 0.00 1.01 0.00 0.00 57.45 56.80 1a2x n PHE 26 Cb 0.45 -0.80 -0.11 0.00 -0.01 0.00 0.00 39.48 39.01 1a2x n PHE 26 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1a2x s ASP 27 N -1.08 4.92 -0.07 4.37 2.15 -0.14 -4.63 116.67 122.19 1a2x s ASP 27 Ca 0.54 -2.98 -0.20 0.00 0.43 0.00 0.00 52.55 50.34 1a2x s ASP 27 Cb 0.45 -1.78 -0.29 0.00 -0.30 0.00 0.00 42.92 41.00 1a2x s ASP 27 CO 0.12 -0.30 0.75 0.00 -0.17 0.00 0.00 175.17 175.57 1a2x h ALA 28 N 6.75 0.02 -0.46 3.66 0.00 -1.82 -3.24 119.26 124.17 1a2x h ALA 28 Ca -0.03 -0.85 0.13 0.00 0.00 0.00 0.00 54.91 54.17 1a2x h ALA 28 Cb 0.92 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a2x h ALA 28 CO 0.71 0.54 0.64 0.38 0.00 0.00 0.00 179.25 181.51 1a2x h ASP 29 N -0.38 0.00 -1.06 0.00 2.03 -1.90 -3.44 116.42 111.67 1a2x h ASP 29 Ca -0.20 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.73 1a2x h ASP 29 Cb 1.66 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 40.03 1a2x h ASP 29 CO 0.10 0.00 -0.35 0.61 -1.03 0.00 0.00 179.24 178.57 1a2x n GLY 30 N -1.49 1.51 1.61 7.15 0.00 -1.22 -4.87 105.19 107.88 1a2x n GLY 30 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1a2x n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2x n GLY 31 N -0.79 4.16 3.67 -0.02 0.00 -1.26 -4.89 105.19 106.05 1a2x n GLY 31 Ca -0.18 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1a2x n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2x n GLY 32 N -0.60 -0.54 2.92 -0.02 0.00 -1.26 -4.98 105.19 100.72 1a2x n GLY 32 Ca 0.38 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1a2x n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a2x s ASP 33 N -3.31 0.22 0.05 1.61 2.15 -1.26 -3.92 116.67 112.20 1a2x s ASP 33 Ca 0.61 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1a2x s ASP 33 Cb -0.28 0.02 -0.03 0.00 -0.30 0.00 0.00 42.92 42.33 1a2x s ASP 33 CO 0.75 -0.08 -0.04 0.27 -0.17 0.00 0.00 175.17 175.90 1a2x s ILE 34 N -0.46 0.31 0.19 4.11 -4.36 -1.14 -4.44 121.20 115.41 1a2x s ILE 34 Ca -0.04 -1.41 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 1a2x s ILE 34 Cb -0.03 -0.97 -0.08 0.00 1.25 0.00 0.00 42.46 42.62 1a2x s ILE 34 CO -0.00 -0.71 1.08 -0.55 0.24 0.00 0.00 174.94 175.00 1a2x s SER 35 N -2.23 7.30 0.41 4.36 0.15 -1.26 -2.21 113.70 120.23 1a2x s SER 35 Ca -0.03 2.09 0.24 0.00 0.70 0.00 0.00 55.95 58.95 1a2x s SER 35 Cb -0.01 -2.61 1.30 0.00 -1.71 0.00 0.00 66.02 62.99 1a2x s SER 35 CO -0.04 -0.18 1.70 -0.37 1.20 0.00 0.00 173.24 175.55 1a2x h VAL 36 N 3.63 0.00 -0.02 4.45 -1.51 -0.55 0.44 116.25 122.69 1a2x h VAL 36 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1a2x h VAL 36 Cb 1.21 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1a2x h VAL 36 CO 0.71 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 177.34 1a2x n LYS 37 N -2.40 1.19 -0.00 5.19 4.01 -1.26 -3.22 118.16 121.68 1a2x n LYS 37 Ca -0.02 -0.28 0.03 0.00 -0.51 0.00 0.00 58.31 57.54 1a2x n LYS 37 Cb 0.15 -1.43 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 1a2x n LYS 37 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1a2x n GLU 38 N -0.60 3.66 0.00 1.97 4.07 0.15 -4.76 120.64 125.14 1a2x n GLU 38 Ca 0.20 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1a2x n GLU 38 Cb 0.16 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 1a2x n GLU 38 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1a2x n LEU 39 N -1.30 0.00 -0.24 4.31 0.00 -1.20 -1.22 117.00 117.36 1a2x n LEU 39 Ca 0.01 0.89 -0.02 0.00 0.00 0.00 0.00 56.01 56.89 1a2x n LEU 39 Cb 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 43.42 43.17 1a2x n LEU 39 CO 0.15 -0.39 0.35 0.61 0.00 0.00 0.00 177.39 178.11 1a2x n GLY 40 N -0.93 -1.32 0.32 -3.96 0.00 -1.26 0.30 105.19 98.34 1a2x n GLY 40 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 46.02 46.64 1a2x n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2x h THR 41 N 0.00 1.26 -0.72 2.61 1.03 -1.78 -1.91 112.91 113.40 1a2x h THR 41 Ca 0.20 -1.00 -0.06 0.00 -0.01 0.00 0.00 66.41 65.54 1a2x h THR 41 Cb 0.35 0.57 -0.03 0.00 -1.07 0.00 0.00 68.15 67.97 1a2x h THR 41 CO -0.61 0.38 0.21 0.58 -0.01 0.00 0.00 175.52 176.08 1a2x h VAL 42 N 1.06 1.26 0.00 0.00 2.07 0.13 -1.54 116.25 119.23 1a2x h VAL 42 Ca 0.22 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1a2x h VAL 42 Cb 0.40 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1a2x h VAL 42 CO 0.01 0.36 -0.14 0.24 0.02 0.00 0.00 177.57 178.05 1a2x h MET 43 N 1.08 0.00 -0.05 1.57 2.07 -0.54 -2.29 114.93 116.78 1a2x h MET 43 Ca 0.23 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.65 1a2x h MET 43 Cb 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1a2x h MET 43 CO -0.01 0.14 -0.86 0.00 1.07 0.00 0.00 176.91 177.26 1a2x h ARG 44 N 0.00 0.50 -0.13 1.72 2.47 -0.49 -1.08 114.38 117.36 1a2x h ARG 44 Ca -0.00 -0.47 -0.03 0.00 -1.26 0.00 0.00 59.98 58.22 1a2x h ARG 44 Cb 0.40 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1a2x h ARG 44 CO 0.02 1.11 -0.04 0.52 0.56 0.00 0.00 179.97 182.14 1a2x h MET 45 N 0.31 0.19 -1.63 0.04 2.86 -0.91 -3.08 114.93 112.71 1a2x h MET 45 Ca -0.06 -0.03 -0.68 0.00 -2.06 0.00 0.00 59.70 56.86 1a2x h MET 45 Cb 1.48 -0.03 -0.33 0.00 0.06 0.00 0.00 31.60 32.77 1a2x h MET 45 CO 0.15 0.24 0.32 1.28 1.06 0.00 0.00 176.91 179.97 1a2x n LEU 46 N -4.39 6.45 0.00 1.22 4.77 -1.16 -4.96 117.00 118.94 1a2x n LEU 46 Ca -0.01 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 1a2x n LEU 46 Cb 0.18 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1a2x n LEU 46 CO 0.36 1.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.94 1a2x n GLY 47 N -0.58 1.72 3.77 -0.72 0.00 -1.16 -4.99 105.19 103.22 1a2x n GLY 47 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 1a2x n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a2x s GLN 48 N 0.00 4.28 -0.44 1.61 -1.52 -0.42 -4.95 119.66 118.23 1a2x s GLN 48 Ca 0.00 1.96 0.08 0.00 -1.95 0.00 0.00 55.36 55.45 1a2x s GLN 48 Cb 0.00 -2.92 0.27 0.00 -0.22 0.00 0.00 33.01 30.14 1a2x s GLN 48 CO 0.00 -0.16 0.62 0.25 -0.25 0.00 0.00 175.29 175.75 1a2x n THR 49 N 0.56 0.10 -2.11 -0.19 -2.24 -1.26 -3.54 114.28 105.60 1a2x n THR 49 Ca 0.02 -4.40 -0.32 0.00 -2.27 0.00 0.00 64.05 57.07 1a2x n THR 49 Cb 0.44 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1a2x n THR 49 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1a2x s PRO 50 N -1.75 3.47 0.50 -0.78 0.04 -1.26 -5.00 135.00 130.23 1a2x s PRO 50 Ca 0.37 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1a2x s PRO 50 Cb 0.21 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 1a2x s PRO 50 CO -0.09 -0.68 1.00 0.95 0.04 0.00 0.00 177.00 178.23 1a2x s THR 51 N -2.54 4.19 0.45 1.26 -4.23 -1.26 -4.74 115.64 108.77 1a2x s THR 51 Ca 0.62 1.19 0.26 0.00 -1.18 0.00 0.00 61.69 62.57 1a2x s THR 51 Cb -0.14 -3.56 0.45 0.00 1.34 0.00 0.00 72.50 70.59 1a2x s THR 51 CO 0.37 -0.46 1.77 0.50 -0.54 0.00 0.00 174.62 176.25 1a2x h LYS 52 N 1.20 0.23 -0.05 3.99 1.63 -1.98 1.14 116.57 122.73 1a2x h LYS 52 Ca -0.48 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.17 1a2x h LYS 52 Cb 1.20 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1a2x h LYS 52 CO 0.60 0.15 -0.58 1.49 -3.45 0.00 0.00 179.45 177.66 1a2x h GLU 53 N 0.23 0.15 -0.00 1.90 4.81 -1.99 -1.43 114.58 118.25 1a2x h GLU 53 Ca 0.61 -0.10 -0.24 0.00 -0.13 0.00 0.00 59.36 59.50 1a2x h GLU 53 Cb 1.87 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.27 1a2x h GLU 53 CO -0.22 0.69 -0.98 0.93 -0.73 0.00 0.00 179.01 178.70 1a2x h GLU 54 N 0.12 0.54 -0.03 1.92 5.08 0.84 -2.54 114.58 120.51 1a2x h GLU 54 Ca -0.00 -0.58 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 1a2x h GLU 54 Cb 1.05 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1a2x h GLU 54 CO 0.08 1.20 -0.24 1.25 -1.00 0.00 0.00 179.01 180.31 1a2x h LEU 55 N 0.31 0.05 -0.21 1.33 5.85 -0.59 -1.32 115.31 120.73 1a2x h LEU 55 Ca -0.10 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 1a2x h LEU 55 Cb 1.62 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1a2x h LEU 55 CO 0.18 0.30 -0.56 0.44 -0.34 0.00 0.00 178.44 178.46 1a2x h ASP 56 N 0.05 0.85 -0.02 1.25 3.32 -1.16 -1.84 116.42 118.87 1a2x h ASP 56 Ca 0.01 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.51 1a2x h ASP 56 Cb 0.45 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1a2x h ASP 56 CO 0.03 1.27 -0.14 0.00 -1.72 0.00 0.00 179.24 178.68 1a2x h ALA 57 N 0.60 -0.15 -0.18 3.45 0.00 -0.96 -1.80 119.26 120.22 1a2x h ALA 57 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1a2x h ALA 57 Cb 1.17 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1a2x h ALA 57 CO 0.12 -0.63 -0.26 0.82 0.00 0.00 0.00 179.25 179.31 1a2x h ILE 58 N -0.23 0.38 -0.94 0.00 2.04 -1.24 -0.80 117.51 116.72 1a2x h ILE 58 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.09 1a2x h ILE 58 Cb 0.30 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1a2x h ILE 58 CO -0.16 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.00 1a2x h ILE 59 N -0.30 0.74 -0.38 -0.67 1.08 -1.07 -0.66 117.51 116.25 1a2x h ILE 59 Ca 0.12 -0.22 -0.14 0.00 -0.39 0.00 0.00 64.86 64.22 1a2x h ILE 59 Cb 0.47 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1a2x h ILE 59 CO -0.35 0.12 -0.34 -0.08 -0.69 0.00 0.00 178.15 176.81 1a2x h GLU 60 N 0.63 0.86 0.06 2.37 4.22 -0.31 -2.62 114.58 119.79 1a2x h GLU 60 Ca 0.50 -0.42 -0.00 0.00 0.08 0.00 0.00 59.36 59.52 1a2x h GLU 60 Cb 0.93 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1a2x h GLU 60 CO -0.25 1.06 -0.03 1.49 -2.18 0.00 0.00 179.01 179.10 1a2x h GLU 61 N 0.72 -0.08 0.05 1.92 4.57 -0.01 -3.31 114.58 118.44 1a2x h GLU 61 Ca 0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1a2x h GLU 61 Cb 0.90 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1a2x h GLU 61 CO 0.08 -0.05 -0.17 0.28 -1.18 0.00 0.00 179.01 177.97 1a2x h VAL 62 N -0.11 0.00 -1.96 0.32 2.07 -1.41 -3.29 116.25 111.86 1a2x h VAL 62 Ca -0.01 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.83 1a2x h VAL 62 Cb 0.06 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.68 1a2x h VAL 62 CO 0.01 0.00 1.17 -0.62 0.02 0.00 0.00 177.57 178.16 1a2x s ASP 63 N -3.14 6.69 -0.17 0.57 2.15 -0.99 -4.78 116.67 117.01 1a2x s ASP 63 Ca -0.05 -2.10 -0.20 0.00 0.43 0.00 0.00 52.55 50.62 1a2x s ASP 63 Cb 0.02 -2.45 -0.22 0.00 -0.30 0.00 0.00 42.92 39.96 1a2x s ASP 63 CO 0.20 -1.12 0.39 -0.33 -0.17 0.00 0.00 175.17 174.13 1a2x h GLU 64 N 8.67 0.08 0.00 4.34 5.08 -1.65 -3.35 114.58 127.75 1a2x h GLU 64 Ca 0.22 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1a2x h GLU 64 Cb 0.98 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1a2x h GLU 64 CO 1.23 1.06 -0.12 0.38 -1.00 0.00 0.00 179.01 180.57 1a2x h ASP 65 N -0.76 0.00 -1.96 1.42 2.03 -1.90 -3.48 116.42 111.77 1a2x h ASP 65 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1a2x h ASP 65 Cb 1.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1a2x h ASP 65 CO -0.10 0.12 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1a2x n GLY 66 N -0.82 0.72 0.00 7.15 0.00 -1.26 -5.03 105.19 105.96 1a2x n GLY 66 Ca -0.02 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1a2x n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a2x n SER 67 N -0.98 0.78 0.00 1.61 3.41 -1.26 -5.00 113.62 112.18 1a2x n SER 67 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1a2x n SER 67 Cb 0.38 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1a2x n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a2x n GLY 68 N 1.45 0.79 3.32 5.00 0.00 -1.26 -5.04 105.19 109.45 1a2x n GLY 68 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1a2x n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a2x s THR 69 N -2.06 0.03 -0.06 2.61 -4.23 -1.26 0.24 115.64 110.91 1a2x s THR 69 Ca 0.00 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1a2x s THR 69 Cb 0.00 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1a2x s THR 69 CO 0.00 -0.15 0.30 0.27 -0.54 0.00 0.00 174.62 174.50 1a2x s ILE 70 N -4.06 0.03 0.86 2.99 -4.36 -0.94 -4.78 121.20 110.95 1a2x s ILE 70 Ca 0.27 -0.26 -0.08 0.00 -0.26 0.00 0.00 60.65 60.32 1a2x s ILE 70 Cb 0.04 -0.51 0.18 0.00 1.25 0.00 0.00 42.46 43.42 1a2x s ILE 70 CO 0.07 -0.14 1.18 1.51 0.24 0.00 0.00 174.94 177.79 1a2x s ASP 71 N -0.59 3.58 0.18 4.36 1.47 -1.26 -2.89 116.67 121.51 1a2x s ASP 71 Ca -0.07 -0.17 0.01 0.00 1.18 0.00 0.00 52.55 53.49 1a2x s ASP 71 Cb -0.04 0.04 0.05 0.00 -0.34 0.00 0.00 42.92 42.63 1a2x s ASP 71 CO 0.02 -2.40 1.42 0.15 0.68 0.00 0.00 175.17 175.04 1a2x h PHE 72 N -1.13 0.42 -0.01 2.11 3.57 -1.98 0.71 116.94 120.63 1a2x h PHE 72 Ca -0.39 -0.20 -0.12 0.00 3.53 0.00 0.00 57.97 60.79 1a2x h PHE 72 Cb 1.24 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1a2x h PHE 72 CO -0.81 0.97 -0.56 0.93 -2.23 0.00 0.00 178.31 176.60 1a2x h GLU 73 N 0.19 0.03 -0.10 1.11 4.39 -1.95 0.60 114.58 118.85 1a2x h GLU 73 Ca -0.04 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 1a2x h GLU 73 Cb 1.38 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.04 1a2x h GLU 73 CO 0.13 0.58 -0.68 0.93 -1.16 0.00 0.00 179.01 178.81 1a2x h GLU 74 N 0.02 0.64 -0.23 2.33 5.08 -1.92 -1.73 114.58 118.77 1a2x h GLU 74 Ca -0.00 -0.55 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1a2x h GLU 74 Cb 1.00 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1a2x h GLU 74 CO 0.07 1.17 0.02 0.35 -1.00 0.00 0.00 179.01 179.63 1a2x h PHE 75 N 0.29 0.03 0.00 4.33 3.57 -0.52 -2.08 116.94 122.56 1a2x h PHE 75 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1a2x h PHE 75 Cb 1.33 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1a2x h PHE 75 CO 0.11 -0.01 0.00 1.28 -2.23 0.00 0.00 178.31 177.46 1a2x n LEU 76 N -5.12 0.00 -0.25 0.59 4.77 0.17 0.01 117.00 117.18 1a2x n LEU 76 Ca -0.02 0.82 0.16 0.00 -0.03 0.00 0.00 56.01 56.94 1a2x n LEU 76 Cb 0.11 -0.32 0.30 0.00 -2.33 0.00 0.00 43.42 41.18 1a2x n LEU 76 CO 0.26 -0.32 0.67 0.52 -1.33 0.00 0.00 177.39 177.19 1a2x n VAL 77 N -1.67 -0.32 -0.05 4.08 0.31 -0.66 -0.77 118.33 119.25 1a2x n VAL 77 Ca 0.00 1.61 -0.14 0.00 -0.01 0.00 0.00 64.34 65.80 1a2x n VAL 77 Cb 0.00 -2.44 -0.12 0.00 -0.91 0.00 0.00 33.84 30.37 1a2x n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a2x h MET 78 N 0.00 0.03 -0.79 5.55 -0.00 -1.11 -2.94 114.93 115.66 1a2x h MET 78 Ca 0.52 -0.03 0.19 0.00 -0.00 0.00 0.00 59.70 60.38 1a2x h MET 78 Cb 1.21 0.01 -0.12 0.00 -0.00 0.00 0.00 31.60 32.70 1a2x h MET 78 CO -0.66 0.87 0.19 1.98 -0.00 0.00 0.00 176.91 179.29 1a2x h MET 79 N -0.81 0.24 -0.45 -0.10 -1.53 0.17 0.15 114.93 112.61 1a2x h MET 79 Ca -0.01 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 1a2x h MET 79 Cb 0.89 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.87 1a2x h MET 79 CO 0.01 0.16 0.18 0.28 0.14 0.00 0.00 176.91 177.68 1a2x h VAL 80 N 0.24 1.20 -0.32 -5.77 2.07 -1.31 0.18 116.25 112.55 1a2x h VAL 80 Ca 0.46 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1a2x h VAL 80 Cb 0.85 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1a2x h VAL 80 CO -0.57 0.23 0.16 -0.09 0.02 0.00 0.00 177.57 177.32 1a2x h ARG 81 N 0.58 0.45 0.46 1.57 2.43 -0.88 -0.98 114.38 118.00 1a2x h ARG 81 Ca 0.15 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1a2x h ARG 81 Cb 0.19 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1a2x h ARG 81 CO -0.01 0.41 -0.29 0.37 -1.51 0.00 0.00 179.97 178.94 1a2x h GLN 82 N 0.38 -0.69 -0.81 0.20 -0.00 -0.47 0.20 115.11 113.91 1a2x h GLN 82 Ca 0.11 0.05 0.17 0.00 -0.00 0.00 0.00 58.65 58.97 1a2x h GLN 82 Cb 0.10 0.16 -0.15 0.00 0.00 0.00 0.00 27.48 27.58 1a2x h GLN 82 CO -0.01 -0.46 -0.19 0.52 0.00 0.00 0.00 178.83 178.69 1a2x h MET 83 N -0.71 0.00 0.61 1.69 2.86 -0.48 0.84 114.93 119.75 1a2x h MET 83 Ca -0.05 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1a2x h MET 83 Cb 0.59 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1a2x h MET 83 CO 0.05 0.00 -0.29 -0.22 1.06 0.00 0.00 176.91 177.51 1a2x h LYS 84 N 0.00 -0.79 -0.24 1.72 3.64 -0.46 -2.52 116.57 117.92 1a2x h LYS 84 Ca 0.40 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.88 1a2x h LYS 84 Cb 0.61 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1a2x h LYS 84 CO -0.83 -0.52 -0.45 0.93 -2.27 0.00 0.00 179.45 176.30 1a2x h GLU 85 N -0.86 -0.43 0.00 1.90 3.07 0.11 0.13 114.58 118.50 1a2x h GLU 85 Ca -0.08 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1a2x h GLU 85 Cb 0.64 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1a2x h GLU 85 CO 0.14 -0.29 0.06 -3.47 -1.40 0.00 0.00 179.01 174.05 1a2x n ASP 86 N -5.43 0.23 -4.54 1.42 -0.08 0.11 -4.83 116.55 103.43 1a2x n ASP 86 Ca -0.03 0.57 -0.40 0.00 -1.51 0.00 0.00 54.79 53.41 1a2x n ASP 86 Cb 0.36 -0.59 0.02 0.00 2.34 0.00 0.00 41.12 43.25 1a2x n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a2x n ALA 87 N -1.58 -0.57 -2.76 -1.67 0.00 0.44 -4.94 120.51 109.44 1a2x n ALA 87 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1a2x n ALA 87 Cb 0.07 -1.95 0.08 0.00 0.00 0.00 0.00 19.45 17.65 1a2x n ALA 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1a2x n LYS 88 N 0.11 1.52 -0.09 0.00 2.85 -1.26 -4.92 118.16 116.37 1a2x n LYS 88 Ca 0.11 -2.68 0.00 0.00 -1.05 0.00 0.00 58.31 54.69 1a2x n LYS 88 Cb 0.42 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 1a2x n LYS 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a2x n GLY 89 N -0.83 0.87 3.76 2.58 0.00 -1.26 -4.68 105.19 105.63 1a2x n GLY 89 Ca -0.01 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 1a2x n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2x s LYS 90 N 1.20 2.24 0.55 1.61 -0.14 -1.26 -4.84 119.74 119.10 1a2x s LYS 90 Ca 0.00 1.22 -0.09 0.00 -1.36 0.00 0.00 55.97 55.74 1a2x s LYS 90 Cb 0.00 -1.89 0.13 0.00 -1.68 0.00 0.00 37.83 34.38 1a2x s LYS 90 CO 0.00 -1.66 0.72 -1.13 -0.76 0.00 0.00 175.35 172.52 1a2x n SER 91 N -3.43 -0.06 -0.04 2.83 3.41 -1.26 -4.85 113.62 110.22 1a2x n SER 91 Ca 0.09 -1.24 -0.12 0.00 -0.26 0.00 0.00 58.87 57.34 1a2x n SER 91 Cb 0.53 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1a2x n SER 91 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a2x h GLU 92 N 0.00 0.23 0.24 4.33 3.07 -1.98 -2.46 114.58 118.01 1a2x h GLU 92 Ca -0.24 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1a2x h GLU 92 Cb 0.65 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 1a2x h GLU 92 CO 0.17 0.55 -0.49 1.49 -1.40 0.00 0.00 179.01 179.33 1a2x h GLU 93 N -0.11 -0.76 -0.32 2.33 4.22 -1.99 0.13 114.58 118.08 1a2x h GLU 93 Ca 0.03 0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 1a2x h GLU 93 Cb 0.48 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1a2x h GLU 93 CO 0.01 -0.51 -0.03 1.05 -2.18 0.00 0.00 179.01 177.35 1a2x h GLU 94 N -0.79 0.51 0.00 1.92 4.11 -1.95 -2.44 114.58 115.94 1a2x h GLU 94 Ca -0.03 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.18 1a2x h GLU 94 Cb 0.75 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1a2x h GLU 94 CO -0.19 0.56 -0.50 -0.07 0.07 0.00 0.00 179.01 178.88 1a2x h LEU 95 N 0.49 0.00 -0.72 3.06 3.38 -1.19 -2.84 115.31 117.48 1a2x h LEU 95 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1a2x h LEU 95 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1a2x h LEU 95 CO 0.02 0.50 -0.58 0.00 0.09 0.00 0.00 178.44 178.46 1a2x h ALA 96 N 1.50 0.92 0.00 1.53 0.00 -0.48 -2.41 119.26 120.32 1a2x h ALA 96 Ca -0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1a2x h ALA 96 Cb 0.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1a2x h ALA 96 CO 0.06 0.73 -0.54 0.93 0.00 0.00 0.00 179.25 180.44 1a2x h GLU 97 N 0.00 0.00 -0.18 0.00 4.39 -1.29 -1.86 114.58 115.64 1a2x h GLU 97 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 1a2x h GLU 97 Cb 1.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1a2x h GLU 97 CO 0.08 0.54 -0.71 0.00 -1.16 0.00 0.00 179.01 177.75 1a2x h PHE 99 N 0.55 -0.63 0.00 0.00 3.57 -1.05 0.29 116.94 119.68 1a2x h PHE 99 Ca -0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1a2x h PHE 99 Cb 1.33 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.33 1a2x h PHE 99 CO 0.08 -0.34 -0.01 0.07 -2.23 0.00 0.00 178.31 175.88 1a2x h ARG 100 N -0.46 0.00 -0.00 1.11 0.11 -1.37 0.52 114.38 114.29 1a2x h ARG 100 Ca 0.02 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.87 1a2x h ARG 100 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1a2x h ARG 100 CO -0.11 0.01 -0.93 0.82 0.10 0.00 0.00 179.97 179.86 1a2x h ILE 101 N 0.00 1.40 0.00 0.08 1.08 -0.84 -3.26 117.51 115.97 1a2x h ILE 101 Ca -0.00 -2.43 -0.15 0.00 -0.39 0.00 0.00 64.86 61.89 1a2x h ILE 101 Cb 0.19 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 1a2x h ILE 101 CO 0.00 0.73 -0.71 -0.26 -0.69 0.00 0.00 178.15 177.22 1a2x h PHE 102 N 0.23 0.00 -2.80 1.37 0.04 0.13 -3.40 116.94 112.51 1a2x h PHE 102 Ca -0.08 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.00 1a2x h PHE 102 Cb 1.57 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.53 1a2x h PHE 102 CO 0.06 0.71 0.43 0.34 -0.60 0.00 0.00 178.31 179.25 1a2x s ASP 103 N -6.60 6.40 0.05 2.17 2.15 0.15 -4.88 116.67 116.11 1a2x s ASP 103 Ca 0.02 -1.70 -0.20 0.00 0.43 0.00 0.00 52.55 51.09 1a2x s ASP 103 Cb 0.09 -2.35 -0.13 0.00 -0.30 0.00 0.00 42.92 40.24 1a2x s ASP 103 CO 0.77 -1.10 1.41 0.03 -0.17 0.00 0.00 175.17 176.11 1a2x h ARG 104 N 8.98 0.34 0.00 4.34 2.47 -1.82 -3.21 114.38 125.48 1a2x h ARG 104 Ca -0.10 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1a2x h ARG 104 Cb 1.06 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1a2x h ARG 104 CO 1.08 0.65 -0.24 0.27 0.56 0.00 0.00 179.97 182.29 1a2x n ASN 105 N -4.63 0.25 -3.29 7.04 0.23 -1.26 -4.96 115.26 108.64 1a2x n ASN 105 Ca -0.05 0.16 -0.17 0.00 -0.53 0.00 0.00 54.58 53.98 1a2x n ASN 105 Cb 0.30 -0.16 0.08 0.00 -2.08 0.00 0.00 39.78 37.92 1a2x n ASN 105 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a2x n ALA 106 N -1.51 -1.77 1.18 -2.53 0.00 -1.21 -4.94 120.51 109.73 1a2x n ALA 106 Ca 0.06 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1a2x n ALA 106 Cb 0.34 -2.81 0.25 0.00 0.00 0.00 0.00 19.45 17.23 1a2x n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a2x n ASP 107 N -2.94 1.64 0.00 0.00 5.68 -1.26 -4.92 116.55 114.74 1a2x n ASP 107 Ca -0.22 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1a2x n ASP 107 Cb 0.64 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1a2x n ASP 107 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a2x n GLY 108 N 1.34 0.85 3.21 6.12 0.00 -1.26 -5.06 105.19 110.38 1a2x n GLY 108 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1a2x n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2x s TYR 109 N -2.06 1.15 -0.11 1.61 2.02 -1.26 -4.12 117.35 114.58 1a2x s TYR 109 Ca 0.00 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.38 1a2x s TYR 109 Cb 0.00 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1a2x s TYR 109 CO 0.00 -0.57 -0.10 0.42 -1.57 0.00 0.00 175.55 173.73 1a2x s ILE 110 N -4.08 1.20 0.19 2.71 1.01 -0.35 -4.61 121.20 117.27 1a2x s ILE 110 Ca 0.36 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1a2x s ILE 110 Cb 0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1a2x s ILE 110 CO 0.10 0.39 -0.02 1.51 0.00 0.00 0.00 174.94 176.93 1a2x s ASP 111 N 1.43 4.65 0.05 3.58 1.47 -1.26 -1.87 116.67 124.72 1a2x s ASP 111 Ca 0.01 -0.46 -0.04 0.00 1.18 0.00 0.00 52.55 53.23 1a2x s ASP 111 Cb -0.13 -0.94 0.04 0.00 -0.34 0.00 0.00 42.92 41.54 1a2x s ASP 111 CO -0.06 0.08 0.34 0.00 0.68 0.00 0.00 175.17 176.21 1a2x n ALA 112 N -0.20 -0.05 -0.13 2.11 0.00 -1.26 0.17 120.51 121.15 1a2x n ALA 112 Ca -0.09 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1a2x n ALA 112 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1a2x n ALA 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1a2x h GLU 113 N 0.00 0.60 -0.67 0.00 9.09 -1.98 -1.98 114.58 119.64 1a2x h GLU 113 Ca 0.07 -0.11 0.01 0.00 0.05 0.00 0.00 59.36 59.37 1a2x h GLU 113 Cb 0.12 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 27.09 1a2x h GLU 113 CO -0.21 0.57 0.45 0.93 0.05 0.00 0.00 179.01 180.79 1a2x h GLU 114 N 0.50 0.88 0.22 1.06 5.08 0.14 -1.98 114.58 120.48 1a2x h GLU 114 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1a2x h GLU 114 Cb 0.20 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a2x h GLU 114 CO -0.01 0.58 -0.22 1.25 -1.00 0.00 0.00 179.01 179.62 1a2x h LEU 115 N 0.91 -0.58 -1.74 1.33 7.12 -0.32 -1.46 115.31 120.57 1a2x h LEU 115 Ca 0.25 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 1a2x h LEU 115 Cb -0.10 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1a2x h LEU 115 CO -0.05 -0.32 -0.10 0.00 -0.13 0.00 0.00 178.44 177.83 1a2x h ALA 116 N 0.25 1.12 0.00 1.25 0.00 -1.28 -1.14 119.26 119.46 1a2x h ALA 116 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1a2x h ALA 116 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a2x h ALA 116 CO -0.05 0.13 -0.10 0.93 0.00 0.00 0.00 179.25 180.16 1a2x h GLU 117 N 0.00 0.00 0.49 0.00 5.08 -0.50 -3.18 114.58 116.48 1a2x h GLU 117 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1a2x h GLU 117 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1a2x h GLU 117 CO 0.01 0.10 -0.24 0.82 -1.00 0.00 0.00 179.01 178.71 1a2x h ILE 118 N 0.00 0.00 0.00 3.13 2.04 -0.78 -3.29 117.51 118.61 1a2x h ILE 118 Ca -0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1a2x h ILE 118 Cb 0.37 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1a2x h ILE 118 CO 0.01 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.65 1a2x n PHE 119 N -5.15 0.00 -0.01 1.37 3.01 -1.20 -2.02 117.46 113.45 1a2x n PHE 119 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.27 1a2x n PHE 119 Cb 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.77 1a2x n PHE 119 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a2x h ARG 120 N 0.00 0.62 0.00 -1.08 3.08 -1.62 -2.08 114.38 113.30 1a2x h ARG 120 Ca 0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1a2x h ARG 120 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1a2x h ARG 120 CO 0.00 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.91 1a2x n ALA 121 N -2.53 1.59 -2.89 0.04 0.00 -0.86 -4.68 120.51 111.18 1a2x n ALA 121 Ca -0.03 0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 1a2x n ALA 121 Cb 0.62 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1a2x n ALA 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a2x s SER 122 N -3.80 6.36 -0.05 0.00 1.04 -0.78 -4.99 113.70 111.48 1a2x s SER 122 Ca 0.04 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1a2x s SER 122 Cb 0.09 -1.94 0.17 0.00 0.10 0.00 0.00 66.02 64.43 1a2x s SER 122 CO 0.32 0.04 0.79 0.61 0.98 0.00 0.00 173.24 175.97 1a2x n GLY 123 N -0.51 1.64 3.97 7.32 0.00 -1.26 -4.90 105.19 111.46 1a2x n GLY 123 Ca -0.06 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1a2x n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a2x s GLU 124 N -1.40 3.11 -0.36 1.61 2.02 -1.26 -5.08 118.70 117.34 1a2x s GLU 124 Ca 0.11 -1.02 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 1a2x s GLU 124 Cb 0.08 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.60 1a2x s GLU 124 CO 0.04 0.11 0.11 -1.58 0.02 0.00 0.00 175.26 173.95 1a2x s HIS 125 N -2.17 3.42 -0.39 1.61 5.65 -1.26 -4.91 115.29 117.25 1a2x s HIS 125 Ca 0.43 -2.09 -0.16 0.00 0.25 0.00 0.00 55.06 53.50 1a2x s HIS 125 Cb -0.09 -2.66 0.01 0.00 -1.18 0.00 0.00 32.58 28.66 1a2x s HIS 125 CO 0.30 -0.87 0.38 0.08 -0.65 0.00 0.00 174.74 173.98 1a2x s VAL 126 N 1.21 5.15 0.82 0.89 1.01 -1.26 -5.07 120.40 123.15 1a2x s VAL 126 Ca 0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1a2x s VAL 126 Cb -0.21 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1a2x s VAL 126 CO -0.02 -0.27 1.14 0.28 0.00 0.00 0.00 175.10 176.23 1a2x s THR 127 N 2.01 2.56 0.25 3.92 -1.32 -1.26 -4.77 115.64 117.03 1a2x s THR 127 Ca 0.11 0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1a2x s THR 127 Cb -0.17 -2.51 0.22 0.00 -1.51 0.00 0.00 72.50 68.53 1a2x s THR 127 CO 0.12 -0.21 1.81 -0.78 -2.21 0.00 0.00 174.62 173.35 1a2x h ASP 128 N -1.19 0.69 -0.53 8.08 3.58 -2.00 0.34 116.42 125.39 1a2x h ASP 128 Ca -0.44 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 1a2x h ASP 128 Cb 1.26 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1a2x h ASP 128 CO 0.47 0.39 0.02 -0.08 -2.88 0.00 0.00 179.24 177.15 1a2x h GLU 129 N 0.80 0.97 0.47 0.28 4.57 -1.98 -1.18 114.58 118.51 1a2x h GLU 129 Ca 0.41 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1a2x h GLU 129 Cb 0.39 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1a2x h GLU 129 CO -0.26 0.94 -0.50 0.93 -1.18 0.00 0.00 179.01 178.94 1a2x h GLU 130 N 0.89 -0.95 -0.79 1.92 5.08 -1.30 0.50 114.58 119.92 1a2x h GLU 130 Ca 0.17 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.78 1a2x h GLU 130 Cb 0.50 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 1a2x h GLU 130 CO 0.02 -0.63 0.19 0.82 -1.00 0.00 0.00 179.01 178.42 1a2x h ILE 131 N -0.98 0.44 -0.07 3.13 1.08 -1.17 0.52 117.51 120.45 1a2x h ILE 131 Ca -0.06 -0.09 -0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1a2x h ILE 131 Cb 0.86 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 1a2x h ILE 131 CO -0.08 0.05 -0.22 -0.33 -0.69 0.00 0.00 178.15 176.87 1a2x h GLU 132 N 0.25 0.12 0.07 2.37 3.07 0.17 -2.21 114.58 118.42 1a2x h GLU 132 Ca 0.46 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 59.04 1a2x h GLU 132 Cb 0.85 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 1a2x h GLU 132 CO -0.57 0.35 -1.16 0.77 -1.40 0.00 0.00 179.01 177.00 1a2x h SER 133 N 0.12 0.24 -0.44 1.42 0.02 0.20 0.23 113.55 115.34 1a2x h SER 133 Ca 0.02 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1a2x h SER 133 Cb 0.47 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1a2x h SER 133 CO 0.03 1.21 0.10 -0.07 -1.14 0.00 0.00 176.83 176.96 1a2x h LEU 134 N 0.04 0.67 -0.40 5.07 3.38 -1.03 -0.95 115.31 122.08 1a2x h LEU 134 Ca -0.09 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.46 1a2x h LEU 134 Cb 1.89 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1a2x h LEU 134 CO 0.17 0.73 -0.66 0.24 0.09 0.00 0.00 178.44 179.01 1a2x h MET 135 N 0.58 0.55 0.31 1.13 2.86 -1.41 -2.07 114.93 116.87 1a2x h MET 135 Ca 0.14 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1a2x h MET 135 Cb 0.33 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1a2x h MET 135 CO 0.00 1.02 -0.24 -0.22 1.06 0.00 0.00 176.91 178.54 1a2x h LYS 136 N 0.40 -0.54 -0.21 1.72 1.63 -0.51 1.05 116.57 120.11 1a2x h LYS 136 Ca -0.02 0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.70 1a2x h LYS 136 Cb 1.23 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1a2x h LYS 136 CO 0.12 -0.36 -0.37 0.38 -3.45 0.00 0.00 179.45 175.78 1a2x h ASP 137 N -0.56 0.47 0.30 4.20 2.03 -1.26 -2.98 116.42 118.63 1a2x h ASP 137 Ca -0.02 -0.19 -0.12 0.00 -0.73 0.00 0.00 57.03 55.96 1a2x h ASP 137 Cb 0.49 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.84 1a2x h ASP 137 CO -0.01 0.80 -0.50 1.23 -1.03 0.00 0.00 179.24 179.73 1a2x h GLY 138 N 1.09 0.25 -6.04 7.15 0.00 -1.04 -3.42 103.07 101.07 1a2x h GLY 138 Ca 0.04 -0.27 -0.57 0.00 0.00 0.00 0.00 47.33 46.53 1a2x h GLY 138 CO 0.07 0.24 0.94 -0.35 0.00 0.00 0.00 176.54 177.44 1a2x s ASP 139 N -6.88 6.71 -0.03 0.19 2.15 0.36 -4.83 116.67 114.34 1a2x s ASP 139 Ca -0.04 1.05 0.07 0.00 0.43 0.00 0.00 52.55 54.06 1a2x s ASP 139 Cb 0.13 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 40.10 1a2x s ASP 139 CO 0.78 -1.08 0.12 0.29 -0.17 0.00 0.00 175.17 175.12 1a2x n LYS 140 N 7.32 1.11 0.00 4.34 4.76 -1.26 -4.42 118.16 130.01 1a2x n LYS 140 Ca 0.14 -0.05 0.10 0.00 -2.87 0.00 0.00 58.31 55.63 1a2x n LYS 140 Cb 0.47 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 1a2x n LYS 140 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1a2x n ASN 141 N -1.94 1.55 -0.49 4.39 0.23 -1.26 -4.97 115.26 112.77 1a2x n ASN 141 Ca -0.05 -1.28 -0.06 0.00 -0.53 0.00 0.00 54.58 52.66 1a2x n ASN 141 Cb 0.38 0.69 -0.03 0.00 -2.08 0.00 0.00 39.78 38.74 1a2x n ASN 141 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1a2x n ASN 142 N -0.62 -4.64 0.00 0.53 4.13 -1.26 -4.85 115.26 108.55 1a2x n ASN 142 Ca 0.07 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.49 1a2x n ASN 142 Cb 0.39 -2.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.92 1a2x n ASN 142 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1a2x n ASP 143 N -0.30 0.00 0.00 6.41 5.68 -1.26 -4.71 116.55 122.37 1a2x n ASP 143 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1a2x n ASP 143 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1a2x n ASP 143 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a2x n GLY 144 N -0.92 1.80 0.00 6.12 0.00 -1.26 -4.99 105.19 105.94 1a2x n GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a2x n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2x n ARG 145 N -2.00 1.15 -3.72 1.61 1.74 -1.26 -4.50 116.66 109.68 1a2x n ARG 145 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1a2x n ARG 145 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 1a2x n ARG 145 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a2x s ILE 146 N -0.63 -0.13 0.67 0.55 1.01 -0.78 -4.59 121.20 117.31 1a2x s ILE 146 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1a2x s ILE 146 Cb 0.00 -0.26 0.13 0.00 0.01 0.00 0.00 42.46 42.34 1a2x s ILE 146 CO 0.00 0.10 0.92 -0.90 0.00 0.00 0.00 174.94 175.06 1a2x n ASP 147 N 4.61 1.55 0.16 3.58 5.68 -1.26 -1.21 116.55 129.66 1a2x n ASP 147 Ca -0.19 -2.24 -0.12 0.00 -0.50 0.00 0.00 54.79 51.75 1a2x n ASP 147 Cb 0.51 -0.57 -0.07 0.00 -1.14 0.00 0.00 41.12 39.85 1a2x n ASP 147 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1a2x h PHE 148 N -0.39 -0.97 -1.09 2.11 3.57 -1.98 0.25 116.94 118.44 1a2x h PHE 148 Ca -0.31 0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.50 1a2x h PHE 148 Cb 1.21 0.39 -0.10 0.00 2.79 0.00 0.00 35.95 40.24 1a2x h PHE 148 CO 0.00 -0.44 0.70 -0.44 -2.23 0.00 0.00 178.31 175.90 1a2x h ASP 149 N -0.63 0.41 0.90 0.41 5.19 -1.95 1.37 116.42 122.11 1a2x h ASP 149 Ca -0.03 0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 1a2x h ASP 149 Cb 0.57 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1a2x h ASP 149 CO -0.09 0.03 -0.60 -0.33 -3.12 0.00 0.00 179.24 175.13 1a2x h GLU 150 N 0.34 0.00 -0.00 3.56 5.08 -1.74 -2.98 114.58 118.83 1a2x h GLU 150 Ca 0.64 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.86 1a2x h GLU 150 Cb 1.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1a2x h GLU 150 CO -0.33 0.60 -0.66 0.35 -1.00 0.00 0.00 179.01 177.97 1a2x h PHE 151 N 0.00 0.01 0.80 4.33 3.57 0.52 -2.91 116.94 123.26 1a2x h PHE 151 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1a2x h PHE 151 Cb 1.21 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.96 1a2x h PHE 151 CO 0.00 0.67 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.29 1a2x h LEU 152 N 0.00 -0.91 -0.70 0.59 4.07 -0.71 -1.38 115.31 116.28 1a2x h LEU 152 Ca -0.01 0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.14 1a2x h LEU 152 Cb 1.18 0.24 -0.11 0.00 1.08 0.00 0.00 40.66 43.04 1a2x h LEU 152 CO 0.09 -0.58 0.09 0.11 -1.08 0.00 0.00 178.44 177.06 1a2x h LYS 153 N -1.22 0.18 0.00 1.13 1.79 -1.58 0.33 116.57 117.20 1a2x h LYS 153 Ca -0.11 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1a2x h LYS 153 Cb 0.83 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1a2x h LYS 153 CO 0.18 0.12 -0.17 1.98 -1.08 0.00 0.00 179.45 180.48 1a2x h MET 154 N 0.19 0.00 -0.01 3.15 1.85 -1.46 -2.24 114.93 116.40 1a2x h MET 154 Ca 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.48 1a2x h MET 154 Cb 0.66 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1a2x h MET 154 CO -0.55 0.17 -0.41 -1.33 -0.40 0.00 0.00 176.91 174.39 1a2x n MET 155 N -3.90 1.06 -1.54 0.39 2.81 0.92 -4.96 117.12 111.89 1a2x n MET 155 Ca -0.02 -0.80 -0.64 0.00 -1.81 0.00 0.00 57.70 54.43 1a2x n MET 155 Cb 0.26 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.18 1a2x n MET 155 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1a2x n GLU 156 N -0.27 0.12 -3.76 0.03 4.07 0.22 -1.82 120.64 119.23 1a2x n GLU 156 Ca 0.10 0.04 -0.31 0.00 -0.06 0.00 0.00 57.16 56.93 1a2x n GLU 156 Cb 0.42 -1.58 0.03 0.00 -0.06 0.00 0.00 31.44 30.26 1a2x n GLU 156 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a2x n GLY 157 N 5.48 -0.82 3.42 8.31 0.00 -1.26 -4.85 105.19 115.47 1a2x n GLY 157 Ca 0.40 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 46.49 1a2x n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2x s VAL 158 N -3.57 2.70 -1.09 1.61 1.01 -0.76 -4.57 120.40 115.74 1a2x s VAL 158 Ca 0.38 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1a2x s VAL 158 Cb -0.14 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.28 1a2x s VAL 158 CO 0.87 0.57 0.78 0.00 0.00 0.00 0.00 175.10 177.32