#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2x s LYS 3 N 0.00 4.49 0.54 1.61 1.02 -1.26 -5.03 119.74 121.11 1k2x s LYS 3 Ca 0.00 1.89 -0.19 0.00 0.02 0.00 0.00 55.97 57.69 1k2x s LYS 3 Cb 0.00 -3.23 -0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1k2x s LYS 3 CO 0.00 -0.09 1.10 0.00 -0.92 0.00 0.00 175.35 175.44 1k2x s ALA 4 N -0.10 2.72 -0.04 5.17 0.00 -1.26 -5.05 121.76 123.21 1k2x s ALA 4 Ca 0.53 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1k2x s ALA 4 Cb -0.33 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1k2x s ALA 4 CO 0.37 -0.70 0.58 0.54 0.00 0.00 0.00 175.76 176.55 1k2x s VAL 5 N -1.94 0.02 0.03 0.00 0.11 -1.26 -5.05 120.40 112.30 1k2x s VAL 5 Ca 0.70 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1k2x s VAL 5 Cb -0.21 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1k2x s VAL 5 CO 0.27 -0.07 -0.13 -0.51 -3.33 0.00 0.00 175.10 171.33 1k2x s ILE 6 N -1.28 1.04 0.05 7.04 2.07 -1.26 -5.10 121.20 123.77 1k2x s ILE 6 Ca -0.11 -0.88 0.05 0.00 -1.41 0.00 0.00 60.65 58.29 1k2x s ILE 6 Cb -0.01 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 1k2x s ILE 6 CO 0.08 0.05 -0.14 0.00 -1.91 0.00 0.00 174.94 173.02 1k2x s ALA 7 N -0.73 1.18 0.12 1.50 0.00 -1.26 -5.05 121.76 117.51 1k2x s ALA 7 Ca 0.02 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1k2x s ALA 7 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1k2x s ALA 7 CO 0.01 0.20 -0.08 0.96 0.00 0.00 0.00 175.76 176.85 1k2x s ILE 8 N -1.01 0.88 0.03 0.00 -4.36 -1.26 -5.11 121.20 110.38 1k2x s ILE 8 Ca 0.00 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1k2x s ILE 8 Cb -0.09 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1k2x s ILE 8 CO 0.02 -0.81 -0.02 -1.38 0.24 0.00 0.00 174.94 172.98 1k2x s HIS 9 N -3.46 0.36 -0.18 1.37 -3.43 -1.26 -5.04 115.29 103.65 1k2x s HIS 9 Ca 0.13 -0.75 0.14 0.00 -0.80 0.00 0.00 55.06 53.78 1k2x s HIS 9 Cb 0.04 -0.27 0.37 0.00 -1.43 0.00 0.00 32.58 31.29 1k2x s HIS 9 CO -0.03 -0.28 1.19 0.41 -2.00 0.00 0.00 174.74 174.03 1k2x n GLY 10 N 0.91 5.03 0.00 -1.38 0.00 -1.26 -5.09 105.19 103.41 1k2x n GLY 10 Ca -0.19 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1k2x n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2x n GLY 11 N -1.25 2.36 3.59 -0.02 0.00 -1.26 -4.67 105.19 103.93 1k2x n GLY 11 Ca 0.18 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1k2x n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x s ALA 12 N -1.61 2.99 0.00 4.61 0.00 -1.26 -5.09 121.76 121.40 1k2x s ALA 12 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1k2x s ALA 12 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1k2x s ALA 12 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1k2x n GLY 13 N 1.30 -0.85 3.55 0.00 0.00 -1.26 -5.07 105.19 102.86 1k2x n GLY 13 Ca -0.15 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1k2x n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x s ALA 14 N -1.00 2.58 -0.29 4.61 0.00 -1.26 -4.94 121.76 121.46 1k2x s ALA 14 Ca 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1k2x s ALA 14 Cb 0.00 -4.29 0.04 0.00 0.00 0.00 0.00 23.12 18.88 1k2x s ALA 14 CO 0.00 -3.49 -0.02 0.42 0.00 0.00 0.00 175.76 172.67 1k2x s ILE 15 N 6.64 2.94 -0.39 0.00 1.01 -1.26 -5.08 121.20 125.06 1k2x s ILE 15 Ca 0.44 -1.31 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1k2x s ILE 15 Cb -0.09 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1k2x s ILE 15 CO 0.15 -0.03 0.34 -0.55 0.00 0.00 0.00 174.94 174.85 1k2x s SER 16 N 1.26 6.14 0.33 3.58 0.15 -1.26 -4.96 113.70 118.95 1k2x s SER 16 Ca -0.04 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1k2x s SER 16 Cb -0.19 -2.18 0.57 0.00 -1.71 0.00 0.00 66.02 62.51 1k2x s SER 16 CO -0.02 -0.43 1.90 -0.09 1.20 0.00 0.00 173.24 175.80 1k2x h ARG 17 N 8.60 0.68 0.00 5.44 2.43 -1.98 -2.49 114.38 127.06 1k2x h ARG 17 Ca -0.28 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1k2x h ARG 17 Cb 1.13 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1k2x h ARG 17 CO 0.73 0.59 -0.06 0.00 -1.51 0.00 0.00 179.97 179.72 1k2x h ALA 18 N 1.49 1.88 -0.40 2.80 0.00 -2.03 -1.78 119.26 121.23 1k2x h ALA 18 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k2x h ALA 18 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1k2x h ALA 18 CO -0.01 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.36 1k2x n GLN 19 N -4.43 2.10 -4.39 0.00 6.02 -0.94 -4.94 117.38 110.79 1k2x n GLN 19 Ca -0.03 -1.69 -0.24 0.00 -0.01 0.00 0.00 57.00 55.03 1k2x n GLN 19 Cb 0.14 -1.41 -0.11 0.00 1.02 0.00 0.00 30.24 29.88 1k2x n GLN 19 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1k2x s MET 20 N -1.48 1.45 0.28 -1.09 -1.94 -0.67 -5.06 119.30 110.79 1k2x s MET 20 Ca 0.34 -1.53 0.07 0.00 -1.71 0.00 0.00 55.69 52.86 1k2x s MET 20 Cb 0.18 -1.60 -0.03 0.00 2.01 0.00 0.00 34.83 35.39 1k2x s MET 20 CO 0.25 0.33 0.26 -1.54 -0.01 0.00 0.00 175.02 174.31 1k2x s SER 21 N -2.86 5.57 0.18 3.03 1.04 -1.26 -4.97 113.70 114.44 1k2x s SER 21 Ca 0.21 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 1k2x s SER 21 Cb -0.06 -1.31 0.09 0.00 0.10 0.00 0.00 66.02 64.84 1k2x s SER 21 CO 0.09 -0.17 1.81 0.25 0.98 0.00 0.00 173.24 176.21 1k2x h LEU 22 N 1.34 0.75 -1.27 2.42 5.85 -1.99 -1.30 115.31 121.10 1k2x h LEU 22 Ca -0.48 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1k2x h LEU 22 Cb 1.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1k2x h LEU 22 CO 0.59 0.60 0.28 1.56 -0.34 0.00 0.00 178.44 181.13 1k2x h GLN 23 N 0.83 0.78 -0.56 1.25 1.08 -1.99 0.17 115.11 116.67 1k2x h GLN 23 Ca 0.22 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1k2x h GLN 23 Cb -0.00 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1k2x h GLN 23 CO -0.04 0.60 0.13 1.96 -0.95 0.00 0.00 178.83 180.53 1k2x h GLN 24 N 0.78 0.91 -0.72 1.46 4.20 -1.85 -2.78 115.11 117.11 1k2x h GLN 24 Ca 0.20 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1k2x h GLN 24 Cb 0.07 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1k2x h GLN 24 CO -0.03 0.85 0.21 0.93 -0.67 0.00 0.00 178.83 180.12 1k2x h GLU 25 N 0.81 1.13 0.00 1.46 5.08 -0.31 -3.00 114.58 119.74 1k2x h GLU 25 Ca 0.18 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1k2x h GLU 25 Cb 0.36 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1k2x h GLU 25 CO 0.00 0.97 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.76 1k2x h LEU 26 N 1.08 0.00 -0.92 1.33 3.38 -0.44 -1.23 115.31 118.51 1k2x h LEU 26 Ca 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1k2x h LEU 26 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1k2x h LEU 26 CO -0.00 0.16 0.12 0.03 0.09 0.00 0.00 178.44 178.83 1k2x h ARG 27 N 0.00 0.91 -0.15 1.13 2.47 -1.35 0.24 114.38 117.63 1k2x h ARG 27 Ca -0.00 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.39 1k2x h ARG 27 Cb 0.32 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1k2x h ARG 27 CO 0.02 0.83 -0.38 1.88 0.56 0.00 0.00 179.97 182.88 1k2x h TYR 28 N 0.87 0.66 -0.39 3.04 0.05 -1.41 -2.49 116.97 117.30 1k2x h TYR 28 Ca 0.18 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.74 1k2x h TYR 28 Cb 0.34 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1k2x h TYR 28 CO 0.02 1.00 0.19 0.82 -1.05 0.00 0.00 178.16 179.14 1k2x h ILE 29 N 0.13 0.97 -0.74 -2.88 1.08 -1.00 0.44 117.51 115.52 1k2x h ILE 29 Ca -0.01 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1k2x h ILE 29 Cb 0.99 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 1k2x h ILE 29 CO 0.08 0.07 0.35 -0.33 -0.69 0.00 0.00 178.15 177.63 1k2x h GLU 30 N 0.39 1.07 -0.29 2.37 5.08 -0.58 0.28 114.58 122.91 1k2x h GLU 30 Ca 0.16 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1k2x h GLU 30 Cb 0.08 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1k2x h GLU 30 CO -0.12 0.85 0.06 0.00 -1.00 0.00 0.00 179.01 178.80 1k2x h ALA 31 N 1.17 0.38 -0.58 3.43 0.00 -0.96 -1.15 119.26 121.55 1k2x h ALA 31 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1k2x h ALA 31 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1k2x h ALA 31 CO -0.03 0.06 0.20 -0.07 0.00 0.00 0.00 179.25 179.41 1k2x h LEU 32 N 0.30 0.84 -0.46 0.00 3.38 -0.71 -2.79 115.31 115.87 1k2x h LEU 32 Ca 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1k2x h LEU 32 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1k2x h LEU 32 CO 0.00 0.81 0.17 -1.28 0.09 0.00 0.00 178.44 178.23 1k2x h SER 33 N 0.82 0.64 -0.70 -0.43 0.87 -0.74 -0.97 113.55 113.04 1k2x h SER 33 Ca 0.19 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1k2x h SER 33 Cb 0.26 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1k2x h SER 33 CO -0.01 0.65 0.43 0.00 -0.53 0.00 0.00 176.83 177.37 1k2x h ALA 34 N 1.02 0.92 -0.11 6.23 0.00 -1.13 0.30 119.26 126.49 1k2x h ALA 34 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1k2x h ALA 34 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1k2x h ALA 34 CO -0.01 0.18 -0.43 0.82 0.00 0.00 0.00 179.25 179.81 1k2x h ILE 35 N 0.82 1.37 -0.71 0.00 2.04 -1.26 -1.95 117.51 117.82 1k2x h ILE 35 Ca 0.29 -1.75 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 1k2x h ILE 35 Cb 0.07 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1k2x h ILE 35 CO -0.13 0.52 0.19 1.62 0.00 0.00 0.00 178.15 180.35 1k2x h VAL 36 N 0.09 1.26 -0.73 1.67 3.04 -1.02 -1.90 116.25 118.65 1k2x h VAL 36 Ca -0.02 -0.95 -0.04 0.00 -1.01 0.00 0.00 66.70 64.68 1k2x h VAL 36 Cb 1.06 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 1k2x h VAL 36 CO 0.09 0.37 0.29 -0.33 -1.01 0.00 0.00 177.57 176.98 1k2x h GLU 37 N 1.08 1.08 -0.61 4.17 5.08 -0.90 0.53 114.58 125.00 1k2x h GLU 37 Ca 0.23 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1k2x h GLU 37 Cb 0.35 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1k2x h GLU 37 CO -0.00 0.88 0.37 1.15 -1.00 0.00 0.00 179.01 180.40 1k2x h THR 38 N 1.06 1.18 -0.49 1.13 2.02 -0.91 -1.32 112.91 115.57 1k2x h THR 38 Ca 0.24 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1k2x h THR 38 Cb 0.20 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1k2x h THR 38 CO -0.02 0.19 0.12 1.23 0.37 0.00 0.00 175.52 177.41 1k2x h GLY 39 N 0.83 0.84 0.82 2.16 0.00 -0.72 -1.85 103.07 105.15 1k2x h GLY 39 Ca 0.22 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1k2x h GLY 39 CO -0.04 0.49 0.15 1.46 0.00 0.00 0.00 176.54 178.60 1k2x h GLN 40 N 0.67 0.30 -0.63 4.80 4.20 -0.65 -0.44 115.11 123.35 1k2x h GLN 40 Ca 0.15 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1k2x h GLN 40 Cb 0.33 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1k2x h GLN 40 CO 0.00 0.20 0.41 0.87 -0.67 0.00 0.00 178.83 179.64 1k2x h LYS 41 N 0.31 0.80 -0.54 1.46 1.57 -1.07 0.50 116.57 119.60 1k2x h LYS 41 Ca 0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1k2x h LYS 41 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1k2x h LYS 41 CO -0.11 0.53 0.33 0.52 -0.57 0.00 0.00 179.45 180.15 1k2x h MET 42 N 0.82 0.73 -0.26 3.15 2.86 -0.95 -1.18 114.93 120.09 1k2x h MET 42 Ca 0.24 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1k2x h MET 42 Cb -0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1k2x h MET 42 CO -0.07 0.52 0.11 -0.07 1.06 0.00 0.00 176.91 178.46 1k2x h LEU 43 N 0.72 0.35 -1.28 1.22 3.38 -0.54 -0.90 115.31 118.25 1k2x h LEU 43 Ca 0.19 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1k2x h LEU 43 Cb -0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1k2x h LEU 43 CO -0.04 0.40 0.53 -0.08 0.09 0.00 0.00 178.44 179.34 1k2x h GLU 44 N 0.27 0.81 0.00 1.13 4.81 -0.70 -0.36 114.58 120.54 1k2x h GLU 44 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1k2x h GLU 44 Cb 0.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1k2x h GLU 44 CO -0.01 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 1k2x n ALA 45 N -2.43 2.52 -0.41 2.92 0.00 -0.47 -4.90 120.51 117.75 1k2x n ALA 45 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1k2x n ALA 45 Cb 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1k2x n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k2x n GLY 46 N 0.95 0.78 3.78 0.00 0.00 -0.14 -5.07 105.19 105.49 1k2x n GLY 46 Ca 0.19 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1k2x n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2x s GLU 47 N -0.68 2.81 0.54 1.61 0.41 -0.38 -4.99 118.70 118.02 1k2x s GLU 47 Ca 0.00 1.23 -0.18 0.00 -0.41 0.00 0.00 54.97 55.61 1k2x s GLU 47 Cb 0.00 -1.96 -0.06 0.00 -1.78 0.00 0.00 34.13 30.33 1k2x s GLU 47 CO 0.00 -1.22 1.07 -1.54 -0.49 0.00 0.00 175.26 173.08 1k2x s SER 48 N -2.99 5.97 0.26 -0.19 1.04 -1.26 -4.64 113.70 111.90 1k2x s SER 48 Ca 0.64 1.95 -0.02 0.00 0.48 0.00 0.00 55.95 59.00 1k2x s SER 48 Cb -0.18 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.84 1k2x s SER 48 CO 0.46 -1.04 1.84 0.00 0.98 0.00 0.00 173.24 175.48 1k2x h ALA 49 N 1.07 1.36 -0.43 5.32 0.00 -1.99 -0.57 119.26 124.02 1k2x h ALA 49 Ca -0.49 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1k2x h ALA 49 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1k2x h ALA 49 CO 0.58 0.25 0.23 1.25 0.00 0.00 0.00 179.25 181.55 1k2x h LEU 50 N 0.98 0.53 -0.87 0.00 5.85 -1.92 -0.42 115.31 119.46 1k2x h LEU 50 Ca 0.44 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1k2x h LEU 50 Cb 0.35 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1k2x h LEU 50 CO -0.23 0.47 -0.14 0.44 -0.34 0.00 0.00 178.44 178.64 1k2x h ASP 51 N 0.55 0.67 -0.08 1.25 3.32 -1.74 -1.72 116.42 118.67 1k2x h ASP 51 Ca 0.15 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1k2x h ASP 51 Cb 0.06 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1k2x h ASP 51 CO -0.02 0.83 0.02 0.58 -1.72 0.00 0.00 179.24 178.93 1k2x h VAL 52 N 0.62 1.20 -0.22 -1.35 2.07 -0.76 -1.49 116.25 116.32 1k2x h VAL 52 Ca 0.10 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1k2x h VAL 52 Cb 0.60 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1k2x h VAL 52 CO 0.04 0.17 -0.28 -0.37 0.02 0.00 0.00 177.57 177.15 1k2x h VAL 53 N -0.08 1.27 -0.26 2.57 -1.51 -1.01 -0.74 116.25 116.48 1k2x h VAL 53 Ca 0.03 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.17 1k2x h VAL 53 Cb 0.26 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1k2x h VAL 53 CO 0.00 0.41 0.06 0.74 -1.23 0.00 0.00 177.57 177.54 1k2x h THR 54 N 0.38 1.22 -0.43 7.19 2.02 -1.22 -1.68 112.91 120.39 1k2x h THR 54 Ca 0.05 -0.73 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 1k2x h THR 54 Cb 0.69 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1k2x h THR 54 CO 0.05 0.24 -0.19 -0.08 0.37 0.00 0.00 175.52 175.91 1k2x h GLU 55 N 0.25 0.88 -0.47 6.66 4.57 -1.11 -0.53 114.58 124.83 1k2x h GLU 55 Ca 0.08 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1k2x h GLU 55 Cb 0.30 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1k2x h GLU 55 CO 0.00 1.02 0.30 0.00 -1.18 0.00 0.00 179.01 179.16 1k2x h ALA 56 N 0.83 0.59 -0.31 2.92 0.00 -1.08 -0.58 119.26 121.65 1k2x h ALA 56 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1k2x h ALA 56 Cb 0.75 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1k2x h ALA 56 CO 0.06 0.05 -0.29 0.28 0.00 0.00 0.00 179.25 179.35 1k2x h VAL 57 N 0.63 1.28 -0.64 0.00 2.07 -1.21 -1.10 116.25 117.28 1k2x h VAL 57 Ca 0.17 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1k2x h VAL 57 Cb -0.06 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1k2x h VAL 57 CO -0.04 0.45 0.42 -0.09 0.02 0.00 0.00 177.57 178.33 1k2x h ARG 58 N 0.54 0.82 -0.38 1.57 2.43 -0.65 0.17 114.38 118.88 1k2x h ARG 58 Ca 0.07 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1k2x h ARG 58 Cb 0.77 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1k2x h ARG 58 CO 0.06 0.54 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.88 1k2x h LEU 59 N 0.84 0.64 -0.74 3.80 3.38 -0.73 -0.58 115.31 121.93 1k2x h LEU 59 Ca 0.24 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1k2x h LEU 59 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1k2x h LEU 59 CO -0.07 0.79 -0.40 -0.07 0.09 0.00 0.00 178.44 178.78 1k2x h LEU 60 N 0.60 0.51 -0.24 1.67 3.38 -0.57 -2.86 115.31 117.81 1k2x h LEU 60 Ca 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1k2x h LEU 60 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1k2x h LEU 60 CO 0.03 0.86 0.11 -0.33 0.09 0.00 0.00 178.44 179.21 1k2x h GLU 61 N 0.40 0.35 -3.42 1.13 5.08 -0.24 -3.43 114.58 114.46 1k2x h GLU 61 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1k2x h GLU 61 Cb 0.88 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1k2x h GLU 61 CO 0.07 0.36 0.88 0.39 -1.00 0.00 0.00 179.01 179.71 1k2x n GLU 62 N -4.82 0.32 0.00 2.33 -0.58 -0.26 -1.44 120.64 116.18 1k2x n GLU 62 Ca -0.03 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1k2x n GLU 62 Cb 0.10 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1k2x n GLU 62 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1k2x n PRO 64 N 3.94 2.38 0.28 3.49 -0.04 -1.25 -4.71 135.00 139.09 1k2x n PRO 64 Ca 0.07 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.67 1k2x n PRO 64 Cb 0.06 -0.23 0.79 0.00 -0.04 0.00 0.00 33.50 34.09 1k2x n PRO 64 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1k2x h LEU 65 N 0.00 0.00 -8.80 1.53 3.38 -1.91 -3.40 115.31 106.10 1k2x h LEU 65 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1k2x h LEU 65 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1k2x h LEU 65 CO 0.00 0.08 -0.82 -0.36 0.09 0.00 0.00 178.44 177.44 1k2x s PHE 66 N -4.15 2.56 -1.27 1.13 0.08 -1.26 -5.05 117.98 110.01 1k2x s PHE 66 Ca -0.03 -0.27 -0.19 0.00 0.12 0.00 0.00 56.93 56.56 1k2x s PHE 66 Cb 0.13 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1k2x s PHE 66 CO 0.56 0.11 1.78 1.21 -0.10 0.00 0.00 175.22 178.78 1k2x s ASN 67 N -0.74 6.41 -0.28 1.36 2.47 -1.26 -4.38 114.94 118.53 1k2x s ASN 67 Ca 0.11 -2.25 -0.26 0.00 0.42 0.00 0.00 52.86 50.88 1k2x s ASN 67 Cb -0.10 -2.58 0.15 0.00 -1.45 0.00 0.00 41.25 37.27 1k2x s ASN 67 CO 0.00 -1.62 1.21 0.00 -3.72 0.00 0.00 177.10 172.97 1k2x s ALA 68 N 5.83 -2.08 0.00 1.71 0.00 -1.26 -4.85 121.76 121.11 1k2x s ALA 68 Ca 0.57 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.31 1k2x s ALA 68 Cb 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1k2x s ALA 68 CO 0.09 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1k2x n GLY 69 N 1.76 2.75 3.68 0.00 0.00 -1.26 -4.28 105.19 107.84 1k2x n GLY 69 Ca -0.11 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 1k2x n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k2x n ILE 70 N 0.00 0.52 -0.07 -0.61 2.08 -0.52 -1.05 119.36 119.71 1k2x n ILE 70 Ca 0.00 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1k2x n ILE 70 Cb 0.00 -2.03 0.00 0.00 -0.75 0.00 0.00 39.64 36.86 1k2x n ILE 70 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1k2x n GLY 71 N 4.29 0.88 3.73 7.39 0.00 -0.47 -3.85 105.19 117.17 1k2x n GLY 71 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1k2x n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2x n ALA 72 N -1.80 1.39 -1.10 4.61 0.00 -0.22 -4.13 120.51 119.26 1k2x n ALA 72 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1k2x n ALA 72 Cb 0.00 -2.33 0.16 0.00 0.00 0.00 0.00 19.45 17.28 1k2x n ALA 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k2x s VAL 73 N -1.32 2.40 -0.01 0.00 -7.23 -1.26 -4.78 120.40 108.20 1k2x s VAL 73 Ca 0.74 0.13 -0.02 0.00 -1.81 0.00 0.00 61.98 61.02 1k2x s VAL 73 Cb -0.41 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1k2x s VAL 73 CO 0.47 -0.17 0.16 -0.36 -0.31 0.00 0.00 175.10 174.89 1k2x s PHE 74 N -2.88 3.48 0.98 2.82 0.40 -1.26 -4.69 117.98 116.83 1k2x s PHE 74 Ca 0.65 0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 1k2x s PHE 74 Cb -0.19 -1.81 0.20 0.00 0.51 0.00 0.00 43.02 41.73 1k2x s PHE 74 CO 0.58 0.63 1.26 0.95 0.70 0.00 0.00 175.22 179.34 1k2x s THR 75 N -1.29 1.94 0.57 0.64 -4.23 0.40 -4.90 115.64 108.76 1k2x s THR 75 Ca 0.26 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.04 1k2x s THR 75 Cb -0.12 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.19 1k2x s THR 75 CO 0.17 0.00 2.00 -0.09 -0.54 0.00 0.00 174.62 176.17 1k2x h ARG 76 N -1.71 0.00 -0.64 3.99 2.43 -2.00 -1.50 114.38 114.95 1k2x h ARG 76 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1k2x h ARG 76 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1k2x h ARG 76 CO 0.42 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.63 1k2x n ASP 77 N -4.01 4.83 -3.08 -3.80 8.00 -1.26 -4.93 116.55 112.30 1k2x n ASP 77 Ca 0.07 -2.57 -0.22 0.00 0.71 0.00 0.00 54.79 52.78 1k2x n ASP 77 Cb 0.53 -0.60 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 1k2x n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k2x n GLU 78 N 0.91 -5.64 -4.50 -1.24 1.02 -0.56 -5.01 120.64 105.62 1k2x n GLU 78 Ca 0.25 0.86 -0.29 0.00 -0.02 0.00 0.00 57.16 57.96 1k2x n GLU 78 Cb 0.94 -5.70 -0.08 0.00 -0.02 0.00 0.00 31.44 26.58 1k2x n GLU 78 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1k2x s THR 79 N -3.21 1.79 -0.09 2.62 -4.23 -1.26 -4.87 115.64 106.39 1k2x s THR 79 Ca 0.38 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1k2x s THR 79 Cb -0.17 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 1k2x s THR 79 CO 0.46 0.00 -0.20 -1.00 -0.54 0.00 0.00 174.62 173.34 1k2x s HIS 80 N -2.74 2.61 -0.13 3.99 3.76 -1.26 -0.45 115.29 121.07 1k2x s HIS 80 Ca 0.27 -0.73 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1k2x s HIS 80 Cb 0.05 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 32.08 1k2x s HIS 80 CO 0.15 -0.23 -0.00 -1.21 -0.85 0.00 0.00 174.74 172.60 1k2x s GLU 81 N 0.07 0.81 0.03 1.40 2.02 -1.26 -4.53 118.70 117.24 1k2x s GLU 81 Ca -0.08 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1k2x s GLU 81 Cb -0.15 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1k2x s GLU 81 CO 0.05 -0.44 -0.02 -0.51 0.02 0.00 0.00 175.26 174.37 1k2x s LEU 82 N 1.86 3.41 0.07 1.80 1.43 0.16 -4.83 118.68 122.59 1k2x s LEU 82 Ca 0.02 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1k2x s LEU 82 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1k2x s LEU 82 CO -0.07 0.24 -0.11 -1.81 0.23 0.00 0.00 176.35 174.83 1k2x s ASP 83 N -1.80 1.34 0.13 2.29 1.01 -1.26 -1.64 116.67 116.74 1k2x s ASP 83 Ca 0.21 -0.63 -0.24 0.00 0.71 0.00 0.00 52.55 52.60 1k2x s ASP 83 Cb -0.11 -0.01 0.07 0.00 1.01 0.00 0.00 42.92 43.88 1k2x s ASP 83 CO 0.13 -0.16 0.61 0.00 0.21 0.00 0.00 175.17 175.96 1k2x s ALA 84 N -1.53 -1.62 -0.01 5.23 0.00 -0.25 -4.91 121.76 118.67 1k2x s ALA 84 Ca -0.03 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1k2x s ALA 84 Cb -0.09 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1k2x s ALA 84 CO 0.01 -0.72 0.18 0.00 0.00 0.00 0.00 175.76 175.23 1k2x s VAL 86 N -1.24 0.33 -0.01 0.00 0.11 -0.08 -5.00 120.40 114.51 1k2x s VAL 86 Ca -0.13 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1k2x s VAL 86 Cb -0.07 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1k2x s VAL 86 CO 0.02 -0.09 0.01 -0.32 -3.33 0.00 0.00 175.10 171.39 1k2x s MET 87 N -0.58 0.07 -0.39 1.54 1.75 -1.26 -1.36 119.30 119.07 1k2x s MET 87 Ca -0.03 0.08 -0.15 0.00 -1.25 0.00 0.00 55.69 54.34 1k2x s MET 87 Cb -0.04 -0.22 0.01 0.00 2.84 0.00 0.00 34.83 37.41 1k2x s MET 87 CO -0.00 -0.09 0.33 0.34 -0.65 0.00 0.00 175.02 174.95 1k2x s ASP 88 N 0.62 6.13 0.36 1.11 -1.08 -0.32 -4.96 116.67 118.54 1k2x s ASP 88 Ca -0.05 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 51.58 1k2x s ASP 88 Cb -0.08 -2.18 1.18 0.00 -1.46 0.00 0.00 42.92 40.38 1k2x s ASP 88 CO -0.02 -0.42 1.81 1.23 0.52 0.00 0.00 175.17 178.29 1k2x h GLY 89 N 8.72 0.00 0.42 2.66 0.00 -1.95 0.17 103.07 113.08 1k2x h GLY 89 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1k2x h GLY 89 CO 0.72 0.00 -0.32 -0.57 0.00 0.00 0.00 176.54 176.37 1k2x h ASN 90 N 0.00 0.24 0.00 0.19 -1.24 -1.95 -3.37 115.58 109.44 1k2x h ASN 90 Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.16 1k2x h ASN 90 Cb 0.35 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1k2x h ASN 90 CO 0.00 1.06 -1.37 0.35 -1.29 0.00 0.00 177.43 176.18 1k2x n THR 91 N -4.45 0.00 -1.24 -3.57 -2.24 -1.19 -4.97 114.28 96.62 1k2x n THR 91 Ca -0.11 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 1k2x n THR 91 Cb 0.56 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1k2x n THR 91 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k2x n LEU 92 N -1.78 -0.32 -4.82 3.22 4.77 0.58 -5.00 117.00 113.64 1k2x n LEU 92 Ca 0.01 0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.87 1k2x n LEU 92 Cb 0.42 -2.02 -0.01 0.00 -2.33 0.00 0.00 43.42 39.48 1k2x n LEU 92 CO 0.44 -0.72 0.70 -0.54 -1.33 0.00 0.00 177.39 175.94 1k2x s LYS 93 N -2.44 3.61 0.05 3.23 -0.14 -1.22 -4.86 119.74 117.97 1k2x s LYS 93 Ca 0.00 1.12 -0.14 0.00 -1.36 0.00 0.00 55.97 55.59 1k2x s LYS 93 Cb 0.00 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 34.09 1k2x s LYS 93 CO 0.00 -0.56 0.30 0.00 -0.76 0.00 0.00 175.35 174.33 1k2x s ALA 94 N -2.48 -0.67 0.00 5.17 0.00 -1.26 -1.17 121.76 121.36 1k2x s ALA 94 Ca 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1k2x s ALA 94 Cb -0.14 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1k2x s ALA 94 CO 0.33 -0.44 -0.01 0.20 0.00 0.00 0.00 175.76 175.84 1k2x s GLY 95 N -2.19 0.07 -0.07 0.00 0.00 -0.46 -4.34 107.32 100.32 1k2x s GLY 95 Ca -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.39 1k2x s GLY 95 CO -0.05 -0.14 0.39 0.00 0.00 0.00 0.00 173.10 173.30 1k2x s ALA 96 N -0.29 -0.98 0.04 3.20 0.00 0.15 -0.90 121.76 122.98 1k2x s ALA 96 Ca -0.03 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1k2x s ALA 96 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1k2x s ALA 96 CO -0.00 -0.25 -0.16 0.14 0.00 0.00 0.00 175.76 175.49 1k2x s VAL 97 N -0.73 1.24 0.01 0.00 -7.23 -0.37 -1.61 120.40 111.72 1k2x s VAL 97 Ca -0.08 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1k2x s VAL 97 Cb -0.04 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1k2x s VAL 97 CO 0.04 0.07 -0.05 0.00 -0.31 0.00 0.00 175.10 174.84 1k2x s ALA 98 N -0.81 0.38 -0.66 1.32 0.00 -0.88 -1.09 121.76 120.01 1k2x s ALA 98 Ca 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1k2x s ALA 98 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1k2x s ALA 98 CO 0.01 0.05 0.19 0.41 0.00 0.00 0.00 175.76 176.42 1k2x n GLY 99 N 2.56 0.14 3.87 0.00 0.00 -0.73 -0.98 105.19 110.06 1k2x n GLY 99 Ca -0.16 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1k2x n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2x s VAL 100 N -2.70 5.29 0.00 1.61 -7.23 -0.65 -3.99 120.40 112.73 1k2x s VAL 100 Ca 0.09 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1k2x s VAL 100 Cb -0.04 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1k2x s VAL 100 CO 0.12 0.49 0.00 -1.20 -0.31 0.00 0.00 175.10 174.19 1k2x n SER 101 N 1.53 0.72 -0.40 4.85 7.64 -1.26 -0.66 113.62 126.03 1k2x n SER 101 Ca -0.14 -0.25 0.08 0.00 1.01 0.00 0.00 58.87 59.56 1k2x n SER 101 Cb 0.53 0.65 0.18 0.00 -1.01 0.00 0.00 64.21 64.56 1k2x n SER 101 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1k2x n HIS 102 N -0.72 0.19 -4.33 1.43 8.25 -1.26 -3.73 115.22 115.05 1k2x n HIS 102 Ca 0.00 -1.18 -0.31 0.00 -0.26 0.00 0.00 57.72 55.97 1k2x n HIS 102 Cb 0.00 -0.22 -0.16 0.00 1.12 0.00 0.00 29.99 30.72 1k2x n HIS 102 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2x s LEU 103 N -3.01 1.89 0.21 2.41 1.43 -1.26 -1.36 118.68 119.00 1k2x s LEU 103 Ca 0.36 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.84 1k2x s LEU 103 Cb 0.32 -1.29 0.17 0.00 0.03 0.00 0.00 46.19 45.43 1k2x s LEU 103 CO 0.00 0.01 1.83 -0.09 0.23 0.00 0.00 176.35 178.33 1k2x h ARG 104 N 7.67 1.13 -3.08 1.70 2.43 -1.93 -3.37 114.38 118.93 1k2x h ARG 104 Ca -0.36 -0.14 -0.62 0.00 -0.81 0.00 0.00 59.98 58.05 1k2x h ARG 104 Cb 1.16 -0.22 -0.40 0.00 -0.42 0.00 0.00 29.97 30.09 1k2x h ARG 104 CO 0.55 0.84 -0.70 -0.80 -1.51 0.00 0.00 179.97 178.35 1k2x s ASN 105 N -6.15 3.86 0.35 -3.80 -0.87 -1.26 -4.65 114.94 102.42 1k2x s ASN 105 Ca -0.13 -2.90 0.12 0.00 -1.57 0.00 0.00 52.86 48.39 1k2x s ASN 105 Cb 0.16 -1.25 0.95 0.00 -0.02 0.00 0.00 41.25 41.09 1k2x s ASN 105 CO 0.81 -0.23 1.75 -0.65 -2.57 0.00 0.00 177.10 176.21 1k2x h PRO 106 N 6.46 0.52 -0.34 -0.60 0.11 -1.95 -0.66 132.00 135.54 1k2x h PRO 106 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1k2x h PRO 106 Cb 0.90 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1k2x h PRO 106 CO 0.56 0.34 0.08 -0.24 -0.21 0.00 0.00 178.00 178.54 1k2x h VAL 107 N 0.53 1.16 -0.24 3.15 3.04 -1.92 0.20 116.25 122.18 1k2x h VAL 107 Ca 0.62 -0.56 -0.16 0.00 -1.01 0.00 0.00 66.70 65.59 1k2x h VAL 107 Cb 1.29 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1k2x h VAL 107 CO -0.40 0.20 -0.49 -0.07 -1.01 0.00 0.00 177.57 175.81 1k2x h LEU 108 N 0.49 0.70 -0.64 3.16 3.38 -1.48 -1.18 115.31 119.73 1k2x h LEU 108 Ca 0.12 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1k2x h LEU 108 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1k2x h LEU 108 CO -0.00 1.07 0.15 0.00 0.09 0.00 0.00 178.44 179.75 1k2x h ALA 109 N 0.95 0.85 -0.47 1.53 0.00 -0.99 -0.85 119.26 120.28 1k2x h ALA 109 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1k2x h ALA 109 Cb 1.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1k2x h ALA 109 CO 0.10 0.56 0.29 0.00 0.00 0.00 0.00 179.25 180.20 1k2x h ALA 110 N 1.05 0.59 -0.66 0.00 0.00 -0.44 -1.14 119.26 118.67 1k2x h ALA 110 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1k2x h ALA 110 Cb 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1k2x h ALA 110 CO 0.00 0.07 0.25 -0.09 0.00 0.00 0.00 179.25 179.48 1k2x h ARG 111 N 0.62 0.98 -0.77 0.00 9.65 -1.09 -2.26 114.38 121.52 1k2x h ARG 111 Ca 0.17 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1k2x h ARG 111 Cb -0.03 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 1k2x h ARG 111 CO -0.03 0.81 0.34 1.25 2.80 0.00 0.00 179.97 185.14 1k2x h LEU 112 N 0.96 1.02 -0.41 3.80 5.85 -0.58 -0.96 115.31 124.99 1k2x h LEU 112 Ca 0.22 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1k2x h LEU 112 Cb 0.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1k2x h LEU 112 CO -0.02 0.89 0.23 0.58 -0.34 0.00 0.00 178.44 179.78 1k2x h VAL 113 N 1.09 1.02 -0.64 1.05 2.07 -0.83 0.46 116.25 120.48 1k2x h VAL 113 Ca 0.26 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1k2x h VAL 113 Cb 0.16 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1k2x h VAL 113 CO -0.03 0.08 0.16 -0.03 0.02 0.00 0.00 177.57 177.78 1k2x h MET 114 N 0.46 1.01 0.00 1.57 1.85 -0.93 -2.97 114.93 115.93 1k2x h MET 114 Ca 0.17 -0.24 -0.24 0.00 -0.61 0.00 0.00 59.70 58.78 1k2x h MET 114 Cb 0.03 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 31.89 1k2x h MET 114 CO -0.09 0.91 -1.54 0.93 -0.40 0.00 0.00 176.91 176.72 1k2x h GLU 115 N 0.94 0.00 -0.04 0.39 5.08 -1.02 -3.39 114.58 116.54 1k2x h GLU 115 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1k2x h GLU 115 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1k2x h GLU 115 CO 0.00 0.44 -0.25 1.04 -1.00 0.00 0.00 179.01 179.24 1k2x n GLN 116 N -3.01 1.54 -3.59 2.33 1.13 0.14 -5.00 117.38 110.92 1k2x n GLN 116 Ca -0.13 -3.00 -0.11 0.00 -1.94 0.00 0.00 57.00 51.83 1k2x n GLN 116 Cb 0.96 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.69 1k2x n GLN 116 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1k2x s SER 117 N -3.00 -0.40 0.00 1.08 1.04 -1.12 -4.95 113.70 106.35 1k2x s SER 117 Ca 0.36 -0.24 0.22 0.00 0.48 0.00 0.00 55.95 56.76 1k2x s SER 117 Cb 0.34 0.59 1.08 0.00 0.10 0.00 0.00 66.02 68.12 1k2x s SER 117 CO -0.02 -1.02 1.72 -0.81 0.98 0.00 0.00 173.24 174.09 1k2x n PRO 118 N -0.36 1.30 -3.02 4.02 -0.04 -1.26 -4.72 135.00 130.92 1k2x n PRO 118 Ca -0.13 -0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 62.69 1k2x n PRO 118 Cb 0.63 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1k2x n PRO 118 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1k2x s HIS 119 N -1.93 2.93 -0.17 0.54 3.76 -1.26 -5.04 115.29 114.11 1k2x s HIS 119 Ca 0.32 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 1k2x s HIS 119 Cb 0.16 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 1k2x s HIS 119 CO 0.26 -0.43 -0.18 0.28 -0.85 0.00 0.00 174.74 173.82 1k2x n VAL 120 N -1.94 0.96 -4.51 -0.90 0.31 -1.26 -4.40 118.33 106.59 1k2x n VAL 120 Ca 0.06 -0.31 -0.23 0.00 -0.01 0.00 0.00 64.34 63.84 1k2x n VAL 120 Cb 0.59 -1.37 -0.16 0.00 -0.91 0.00 0.00 33.84 31.99 1k2x n VAL 120 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1k2x s MET 121 N -2.33 1.46 0.01 5.55 -2.45 -1.26 0.32 119.30 120.61 1k2x s MET 121 Ca -0.23 -0.37 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 1k2x s MET 121 Cb 0.07 -1.25 -0.02 0.00 1.25 0.00 0.00 34.83 34.88 1k2x s MET 121 CO 0.35 0.04 -0.16 -1.64 1.05 0.00 0.00 175.02 174.66 1k2x s MET 122 N 0.58 1.19 0.16 4.11 -1.94 -0.63 -4.98 119.30 117.78 1k2x s MET 122 Ca -0.12 -0.69 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1k2x s MET 122 Cb -0.14 -1.20 -0.04 0.00 2.01 0.00 0.00 34.83 35.46 1k2x s MET 122 CO 0.03 0.32 -0.17 0.96 -0.01 0.00 0.00 175.02 176.14 1k2x s ILE 123 N -0.59 1.73 0.00 2.53 -4.36 -1.26 -2.07 121.20 117.19 1k2x s ILE 123 Ca 0.05 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1k2x s ILE 123 Cb -0.07 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1k2x s ILE 123 CO 0.00 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1k2x n GLY 124 N 0.28 2.37 0.37 6.27 0.00 -0.15 -1.82 105.19 112.51 1k2x n GLY 124 Ca -0.13 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1k2x n GLY 124 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k2x h GLU 125 N 0.00 1.14 -0.73 1.61 4.81 -1.92 -1.54 114.58 117.95 1k2x h GLU 125 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1k2x h GLU 125 Cb 0.00 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1k2x h GLU 125 CO 0.00 0.75 0.35 0.78 -0.73 0.00 0.00 179.01 180.16 1k2x h GLY 126 N 1.17 1.12 0.98 1.92 0.00 -1.95 0.14 103.07 106.46 1k2x h GLY 126 Ca 0.43 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1k2x h GLY 126 CO -0.17 0.53 0.27 0.00 0.00 0.00 0.00 176.54 177.16 1k2x h ALA 127 N 1.17 0.71 -0.16 3.60 0.00 -0.54 -1.39 119.26 122.66 1k2x h ALA 127 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k2x h ALA 127 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1k2x h ALA 127 CO -0.03 0.28 0.05 0.93 0.00 0.00 0.00 179.25 180.47 1k2x h GLU 128 N 0.75 0.24 -0.94 0.00 5.08 -0.77 -2.03 114.58 116.91 1k2x h GLU 128 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1k2x h GLU 128 Cb 0.12 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1k2x h GLU 128 CO -0.02 0.36 0.56 -0.91 -1.00 0.00 0.00 179.01 177.99 1k2x h ASN 129 N 0.07 1.14 -0.51 1.42 2.35 -0.66 0.62 115.58 120.02 1k2x h ASN 129 Ca 0.05 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1k2x h ASN 129 Cb 0.22 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1k2x h ASN 129 CO -0.00 0.88 0.26 0.15 -1.65 0.00 0.00 177.43 177.07 1k2x h PHE 130 N 1.30 0.47 -0.23 1.19 3.04 -1.08 -1.28 116.94 120.36 1k2x h PHE 130 Ca 0.34 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.22 1k2x h PHE 130 Cb -0.04 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.33 1k2x h PHE 130 CO 0.01 0.23 -0.20 0.00 -2.02 0.00 0.00 178.31 176.33 1k2x h ALA 131 N 1.27 0.33 -0.79 2.41 0.00 -0.72 -3.18 119.26 118.60 1k2x h ALA 131 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k2x h ALA 131 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1k2x h ALA 131 CO -0.16 0.26 0.50 0.74 0.00 0.00 0.00 179.25 180.60 1k2x h PHE 132 N 0.23 1.01 0.00 0.00 0.04 -0.70 -0.88 116.94 116.64 1k2x h PHE 132 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1k2x h PHE 132 Cb 0.74 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1k2x h PHE 132 CO 0.07 0.65 0.00 0.00 -0.60 0.00 0.00 178.31 178.44 1k2x n ALA 133 N -2.42 1.41 -1.22 2.45 0.00 -0.50 -2.30 120.51 117.93 1k2x n ALA 133 Ca 0.09 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1k2x n ALA 133 Cb 0.05 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.34 1k2x n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2x n ARG 134 N -2.22 1.93 -0.21 0.00 1.74 -0.39 -4.98 116.66 112.52 1k2x n ARG 134 Ca 0.01 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 1k2x n ARG 134 Cb 0.15 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1k2x n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2x n GLY 135 N -1.05 1.04 3.74 -0.13 0.00 -0.97 -5.04 105.19 102.77 1k2x n GLY 135 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1k2x n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k2x s MET 136 N -0.56 4.52 0.36 1.61 0.00 -0.84 -4.99 119.30 119.40 1k2x s MET 136 Ca 0.00 1.82 -0.25 0.00 0.00 0.00 0.00 55.69 57.26 1k2x s MET 136 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 34.83 31.48 1k2x s MET 136 CO 0.00 -0.04 1.00 -1.21 0.00 0.00 0.00 175.02 174.77 1k2x s GLU 137 N -0.24 4.39 -0.01 4.11 2.02 -1.26 -4.10 118.70 123.62 1k2x s GLU 137 Ca 0.52 1.44 -0.24 0.00 0.02 0.00 0.00 54.97 56.72 1k2x s GLU 137 Cb -0.31 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 1k2x s GLU 137 CO 0.36 0.08 0.71 0.50 0.02 0.00 0.00 175.26 176.93 1k2x s ARG 138 N -2.23 4.44 0.33 1.61 3.52 -1.26 -4.59 118.95 120.77 1k2x s ARG 138 Ca 0.53 0.94 0.07 0.00 -0.13 0.00 0.00 55.73 57.15 1k2x s ARG 138 Cb -0.21 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.72 1k2x s ARG 138 CO 0.27 0.21 -0.05 0.14 -0.81 0.00 0.00 175.30 175.05 1k2x s VAL 139 N 0.26 1.88 -0.05 7.11 -7.23 -0.46 -5.03 120.40 116.88 1k2x s VAL 139 Ca 0.37 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 1k2x s VAL 139 Cb -0.19 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1k2x s VAL 139 CO 0.20 -0.19 0.35 -0.55 -0.31 0.00 0.00 175.10 174.61 1k2x s SER 140 N -3.55 6.69 0.31 4.85 0.15 -1.26 -4.41 113.70 116.48 1k2x s SER 140 Ca 0.32 0.82 0.24 0.00 0.70 0.00 0.00 55.95 58.03 1k2x s SER 140 Cb 0.05 -2.21 1.11 0.00 -1.71 0.00 0.00 66.02 63.25 1k2x s SER 140 CO 0.15 0.29 1.72 -0.65 1.20 0.00 0.00 173.24 175.96 1k2x h PRO 141 N 5.10 0.00 0.00 5.44 0.11 -1.96 -2.63 132.00 138.06 1k2x h PRO 141 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k2x h PRO 141 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2x h PRO 141 CO 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 1k2x n GLU 142 N -2.31 0.18 0.28 1.05 0.28 -1.26 -1.77 120.64 117.09 1k2x n GLU 142 Ca 0.01 0.51 0.15 0.00 -0.16 0.00 0.00 57.16 57.67 1k2x n GLU 142 Cb 0.16 -1.92 0.85 0.00 1.43 0.00 0.00 31.44 31.95 1k2x n GLU 142 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1k2x h ILE 143 N 0.00 0.42 0.00 3.84 3.07 -1.88 -1.78 117.51 121.18 1k2x h ILE 143 Ca 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1k2x h ILE 143 Cb 0.23 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1k2x h ILE 143 CO 0.00 0.06 -0.25 -0.26 -1.05 0.00 0.00 178.15 176.65 1k2x h PHE 144 N 0.00 0.00 -3.62 0.16 0.04 -1.60 -3.45 116.94 108.47 1k2x h PHE 144 Ca -0.00 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 1k2x h PHE 144 Cb 0.22 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.38 1k2x h PHE 144 CO 0.00 0.00 0.51 -1.12 -0.60 0.00 0.00 178.31 177.10 1k2x s SER 145 N -4.48 7.18 0.06 2.17 0.01 -0.67 -1.37 113.70 116.60 1k2x s SER 145 Ca 0.09 2.22 0.04 0.00 1.31 0.00 0.00 55.95 59.60 1k2x s SER 145 Cb 0.12 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1k2x s SER 145 CO 0.65 -0.26 -0.11 0.42 0.41 0.00 0.00 173.24 174.34 1k2x s THR 146 N -0.48 0.85 0.30 1.44 -4.23 -1.26 -4.85 115.64 107.41 1k2x s THR 146 Ca 0.49 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1k2x s THR 146 Cb -0.32 -0.85 0.18 0.00 1.34 0.00 0.00 72.50 72.85 1k2x s THR 146 CO 0.38 -0.29 1.88 0.77 -0.54 0.00 0.00 174.62 176.82 1k2x h SER 147 N 4.42 0.73 -0.10 3.99 4.64 -1.98 -1.91 113.55 123.32 1k2x h SER 147 Ca -0.38 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1k2x h SER 147 Cb 1.20 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1k2x h SER 147 CO 0.41 0.68 -0.11 0.25 -0.87 0.00 0.00 176.83 177.18 1k2x h LEU 148 N 0.78 -0.34 -0.81 5.97 5.85 -1.99 0.10 115.31 124.87 1k2x h LEU 148 Ca 0.18 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 1k2x h LEU 148 Cb 0.20 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1k2x h LEU 148 CO -0.01 -0.15 -0.55 0.03 -0.34 0.00 0.00 178.44 177.42 1k2x h ARG 149 N -0.14 0.00 -0.26 1.25 2.47 -1.87 -2.67 114.38 113.16 1k2x h ARG 149 Ca 0.08 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 1k2x h ARG 149 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1k2x h ARG 149 CO -0.19 0.55 -0.21 -0.92 0.56 0.00 0.00 179.97 179.76 1k2x h TYR 150 N 0.00 0.72 -0.67 3.04 3.20 -0.75 -2.01 116.97 120.49 1k2x h TYR 150 Ca -0.01 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.67 1k2x h TYR 150 Cb 1.04 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1k2x h TYR 150 CO 0.00 0.90 0.44 0.93 -1.64 0.00 0.00 178.16 178.79 1k2x h GLU 151 N 0.32 0.87 -0.37 1.82 4.39 -0.75 0.29 114.58 121.15 1k2x h GLU 151 Ca 0.05 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1k2x h GLU 151 Cb 0.76 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1k2x h GLU 151 CO 0.06 0.57 -0.03 1.96 -1.16 0.00 0.00 179.01 180.41 1k2x h GLN 152 N 0.89 0.60 0.08 2.33 4.20 -1.24 0.16 115.11 122.13 1k2x h GLN 152 Ca 0.25 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1k2x h GLN 152 Cb -0.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1k2x h GLN 152 CO -0.05 0.64 -0.04 1.25 -0.67 0.00 0.00 178.83 179.96 1k2x h LEU 153 N 0.57 -0.09 -1.08 1.46 5.85 -0.49 -0.48 115.31 121.05 1k2x h LEU 153 Ca 0.12 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1k2x h LEU 153 Cb 0.40 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1k2x h LEU 153 CO 0.02 0.37 0.62 -0.07 -0.34 0.00 0.00 178.44 179.03 1k2x h LEU 154 N -0.58 0.84 -0.36 2.25 4.07 -0.75 -0.42 115.31 120.36 1k2x h LEU 154 Ca -0.01 0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 1k2x h LEU 154 Cb 0.48 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1k2x h LEU 154 CO 0.02 0.42 -0.71 0.00 -1.08 0.00 0.00 178.44 177.08 1k2x h ALA 155 N 1.57 0.53 0.00 1.53 0.00 -0.69 -3.00 119.26 119.21 1k2x h ALA 155 Ca 0.50 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k2x h ALA 155 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1k2x h ALA 155 CO -0.27 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1k2x h ALA 156 N 0.84 1.00 0.00 0.00 0.00 0.56 -3.51 119.26 118.15 1k2x h ALA 156 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k2x h ALA 156 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k2x h ALA 156 CO 0.13 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.92