#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1or3 n GLY 23 N 0.00 0.00 0.47 5.00 0.00 -1.26 0.24 105.19 109.64 1or3 n GLY 23 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1or3 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1or3 n GLN 24 N -0.80 1.26 0.21 1.61 10.64 -1.26 -4.34 117.38 124.70 1or3 n GLN 24 Ca 0.00 -0.94 -0.15 0.00 -1.83 0.00 0.00 57.00 54.08 1or3 n GLN 24 Cb 0.00 -1.48 -0.08 0.00 -0.86 0.00 0.00 30.24 27.82 1or3 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1or3 h ARG 25 N 2.30 -0.47 0.00 2.61 3.08 0.28 0.26 114.38 122.44 1or3 h ARG 25 Ca 0.00 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1or3 h ARG 25 Cb 0.68 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1or3 h ARG 25 CO 0.00 -0.29 -0.31 0.11 -1.07 0.00 0.00 179.97 178.41 1or3 h TRP 26 N -0.53 0.00 -0.27 3.04 5.08 -1.78 -2.32 115.95 119.18 1or3 h TRP 26 Ca -0.05 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.74 1or3 h TRP 26 Cb 0.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 1or3 h TRP 26 CO -0.04 0.31 -0.55 0.93 -1.28 0.00 0.00 178.44 177.82 1or3 h GLU 27 N 0.00 0.84 -0.18 0.12 5.08 -1.69 -1.00 114.58 117.75 1or3 h GLU 27 Ca -0.00 -0.55 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 1or3 h GLU 27 Cb 0.74 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1or3 h GLU 27 CO 0.04 1.18 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.88 1or3 h LEU 28 N 0.61 0.33 -0.44 1.33 3.38 -0.30 -0.07 115.31 120.16 1or3 h LEU 28 Ca 0.01 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 1or3 h LEU 28 Cb 1.16 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1or3 h LEU 28 CO 0.12 0.61 -0.62 0.00 0.09 0.00 0.00 178.44 178.64 1or3 h ALA 29 N 1.42 0.61 -0.04 1.53 0.00 -1.30 -2.59 119.26 118.90 1or3 h ALA 29 Ca 0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1or3 h ALA 29 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1or3 h ALA 29 CO 0.05 0.70 -0.45 1.25 0.00 0.00 0.00 179.25 180.81 1or3 h LEU 30 N 0.42 0.09 -0.96 0.00 5.85 -0.70 -2.48 115.31 117.53 1or3 h LEU 30 Ca -0.01 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1or3 h LEU 30 Cb 1.18 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1or3 h LEU 30 CO 0.12 0.52 -0.23 1.23 -0.34 0.00 0.00 178.44 179.74 1or3 h GLY 31 N 1.32 0.53 1.98 3.75 0.00 -0.79 -1.06 103.07 108.80 1or3 h GLY 31 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1or3 h GLY 31 CO 0.06 0.38 -0.59 3.21 0.00 0.00 0.00 176.54 179.61 1or3 h ARG 32 N 0.44 0.02 -0.17 4.80 3.08 -1.07 -0.00 114.38 121.48 1or3 h ARG 32 Ca 0.07 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1or3 h ARG 32 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1or3 h ARG 32 CO 0.05 0.60 -0.15 0.35 -1.07 0.00 0.00 179.97 179.75 1or3 h PHE 33 N 0.02 0.47 -0.14 3.04 3.57 -1.12 -2.73 116.94 120.05 1or3 h PHE 33 Ca -0.01 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.39 1or3 h PHE 33 Cb 1.04 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1or3 h PHE 33 CO 0.00 0.76 -0.05 -1.49 -2.23 0.00 0.00 178.31 175.30 1or3 h TRP 34 N 0.05 -0.11 -0.42 0.41 4.06 -0.93 0.15 115.95 119.15 1or3 h TRP 34 Ca 0.03 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.07 1or3 h TRP 34 Cb 0.67 0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 28.83 1or3 h TRP 34 CO 0.08 -0.08 -0.02 -0.44 -3.56 0.00 0.00 178.44 174.42 1or3 h ASP 35 N -0.03 -0.22 -0.20 -3.49 3.32 -1.00 0.91 116.42 115.71 1or3 h ASP 35 Ca 0.07 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1or3 h ASP 35 Cb 0.13 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1or3 h ASP 35 CO -0.16 -0.07 0.02 0.22 -1.72 0.00 0.00 179.24 177.53 1or3 h TYR 36 N 0.09 0.37 -0.61 4.55 5.03 -1.16 -2.95 116.97 122.28 1or3 h TYR 36 Ca 0.21 -0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1or3 h TYR 36 Cb 0.31 -0.10 -0.06 0.00 1.55 0.00 0.00 36.73 38.43 1or3 h TYR 36 CO -0.30 0.50 0.29 1.25 -1.32 0.00 0.00 178.16 178.58 1or3 h LEU 37 N 0.13 0.38 -1.50 2.82 5.85 -0.14 -1.22 115.31 121.63 1or3 h LEU 37 Ca 0.06 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1or3 h LEU 37 Cb 0.34 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1or3 h LEU 37 CO 0.01 0.24 0.42 0.03 -0.34 0.00 0.00 178.44 178.80 1or3 h ARG 38 N 0.53 0.58 -0.15 1.25 3.08 -0.74 0.17 114.38 119.11 1or3 h ARG 38 Ca 0.29 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1or3 h ARG 38 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1or3 h ARG 38 CO -0.23 0.39 -0.47 2.35 -1.07 0.00 0.00 179.97 180.93 1or3 h TRP 39 N 0.60 0.76 -0.81 3.04 7.01 -1.10 -3.21 115.95 122.24 1or3 h TRP 39 Ca 0.28 -0.31 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1or3 h TRP 39 Cb 0.32 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 1or3 h TRP 39 CO -0.00 1.08 0.47 0.28 -2.79 0.00 0.00 178.44 177.48 1or3 h VAL 40 N 0.22 1.23 -0.94 2.65 2.07 -0.25 -2.52 116.25 118.71 1or3 h VAL 40 Ca -0.02 -0.54 0.21 0.00 0.82 0.00 0.00 66.70 67.18 1or3 h VAL 40 Cb 1.10 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1or3 h VAL 40 CO 0.10 0.25 0.61 -0.61 0.02 0.00 0.00 177.57 177.95 1or3 h GLN 41 N 1.13 0.41 0.00 1.57 5.75 -0.70 0.62 115.11 123.89 1or3 h GLN 41 Ca 0.29 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1or3 h GLN 41 Cb -0.01 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 1or3 h GLN 41 CO -0.05 0.27 -0.05 1.79 -2.65 0.00 0.00 178.83 178.14 1or3 h THR 42 N 0.43 0.79 -6.60 2.39 1.35 -1.55 -3.46 112.91 106.26 1or3 h THR 42 Ca 0.50 -0.18 -0.53 0.00 -0.55 0.00 0.00 66.41 65.65 1or3 h THR 42 Cb 1.22 1.10 -0.15 0.00 -1.73 0.00 0.00 68.15 68.60 1or3 h THR 42 CO -0.20 0.05 -0.82 0.18 -0.25 0.00 0.00 175.52 174.47 1or3 n LEU 43 N -4.13 -2.00 -4.59 3.87 4.77 0.21 -4.94 117.00 110.19 1or3 n LEU 43 Ca -0.03 -0.95 -0.30 0.00 -0.03 0.00 0.00 56.01 54.70 1or3 n LEU 43 Cb 0.13 -2.23 0.25 0.00 -2.33 0.00 0.00 43.42 39.24 1or3 n LEU 43 CO 0.31 0.35 0.63 -0.94 -1.33 0.00 0.00 177.39 176.41 1or3 s SER 44 N -3.41 0.76 0.42 -1.43 1.04 -1.26 -4.73 113.70 105.08 1or3 s SER 44 Ca 0.64 0.56 0.19 0.00 0.48 0.00 0.00 55.95 57.82 1or3 s SER 44 Cb -0.34 -0.75 0.93 0.00 0.10 0.00 0.00 66.02 65.96 1or3 s SER 44 CO 0.90 -4.22 1.87 -0.33 0.98 0.00 0.00 173.24 172.45 1or3 h GLU 45 N -2.65 0.00 -0.18 4.02 4.39 -1.99 -1.82 114.58 116.36 1or3 h GLU 45 Ca -0.44 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.17 1or3 h GLU 45 Cb 1.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1or3 h GLU 45 CO 0.31 0.29 -0.27 0.37 -1.16 0.00 0.00 179.01 178.56 1or3 h GLN 46 N 0.00 0.50 -0.56 2.33 4.15 -1.99 -0.63 115.11 118.90 1or3 h GLN 46 Ca -0.00 -0.30 0.08 0.00 0.77 0.00 0.00 58.65 59.20 1or3 h GLN 46 Cb 0.63 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.28 1or3 h GLN 46 CO 0.04 0.89 0.22 0.28 -1.93 0.00 0.00 178.83 178.33 1or3 h VAL 47 N 0.15 0.81 -0.84 2.39 2.07 -1.84 -1.31 116.25 117.69 1or3 h VAL 47 Ca 0.02 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1or3 h VAL 47 Cb 0.85 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1or3 h VAL 47 CO 0.06 0.07 0.52 1.56 0.02 0.00 0.00 177.57 179.80 1or3 h GLN 48 N 0.41 1.13 -0.06 1.57 4.20 -1.11 0.46 115.11 121.71 1or3 h GLN 48 Ca 0.28 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1or3 h GLN 48 Cb 0.31 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1or3 h GLN 48 CO -0.27 0.79 -0.03 0.93 -0.67 0.00 0.00 178.83 179.59 1or3 h GLU 49 N 1.15 -0.02 0.00 1.46 4.39 -0.27 -1.28 114.58 120.01 1or3 h GLU 49 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1or3 h GLU 49 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1or3 h GLU 49 CO -0.06 -0.01 0.00 0.93 -1.16 0.00 0.00 179.01 178.71 1or3 h GLU 50 N -0.02 0.00 0.14 2.33 5.08 -0.76 -2.40 114.58 118.96 1or3 h GLU 50 Ca 0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 1or3 h GLU 50 Cb 0.07 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.35 1or3 h GLU 50 CO -0.07 0.00 -1.16 -0.07 -1.00 0.00 0.00 179.01 176.71 1or3 h LEU 51 N 0.00 0.77 -0.06 1.33 3.38 0.56 -0.58 115.31 120.70 1or3 h LEU 51 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1or3 h LEU 51 Cb 0.55 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1or3 h LEU 51 CO 0.00 1.56 0.00 0.18 0.09 0.00 0.00 178.44 180.27 1or3 n LEU 52 N -3.88 0.43 -0.93 1.67 4.77 -0.54 -2.87 117.00 115.64 1or3 n LEU 52 Ca -0.14 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1or3 n LEU 52 Cb 0.95 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.73 1or3 n LEU 52 CO 0.56 -0.15 0.63 -1.54 -1.33 0.00 0.00 177.39 175.56 1or3 n SER 53 N -1.91 2.92 0.00 -1.43 3.41 -0.92 -4.95 113.62 110.73 1or3 n SER 53 Ca 0.06 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1or3 n SER 53 Cb 0.36 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1or3 n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1or3 n SER 54 N 1.27 -0.01 -0.15 4.04 7.64 -1.14 -4.91 113.62 120.37 1or3 n SER 54 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1or3 n SER 54 Cb 0.59 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1or3 n SER 54 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1or3 h GLN 55 N 2.89 0.83 -0.20 1.43 4.15 -1.66 -2.26 115.11 120.29 1or3 h GLN 55 Ca 0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.10 1or3 h GLN 55 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1or3 h GLN 55 CO 0.00 0.94 0.12 0.28 -1.93 0.00 0.00 178.83 178.24 1or3 h VAL 56 N 0.66 1.08 -0.11 2.39 2.07 -1.42 -1.67 116.25 119.25 1or3 h VAL 56 Ca 0.11 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1or3 h VAL 56 Cb 0.63 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1or3 h VAL 56 CO 0.04 0.08 -0.39 0.71 0.02 0.00 0.00 177.57 178.03 1or3 h THR 57 N 0.24 1.30 -0.28 2.57 1.35 -1.80 -0.17 112.91 116.11 1or3 h THR 57 Ca 0.07 -1.47 -0.16 0.00 -0.55 0.00 0.00 66.41 64.30 1or3 h THR 57 Cb 0.02 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1or3 h THR 57 CO -0.01 0.44 -0.46 1.56 -0.25 0.00 0.00 175.52 176.80 1or3 h GLN 58 N 0.20 0.81 -0.07 4.72 4.20 -1.27 -1.51 115.11 122.19 1or3 h GLN 58 Ca 0.02 -0.49 -0.22 0.00 0.06 0.00 0.00 58.65 58.02 1or3 h GLN 58 Cb 0.79 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.62 1or3 h GLN 58 CO 0.06 1.12 -0.85 0.93 -0.67 0.00 0.00 178.83 179.43 1or3 h GLU 59 N 0.57 0.59 -0.41 1.46 5.08 -1.17 -1.37 114.58 119.34 1or3 h GLU 59 Ca 0.02 -0.54 -0.15 0.00 -1.00 0.00 0.00 59.36 57.70 1or3 h GLU 59 Cb 1.06 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1or3 h GLU 59 CO 0.10 1.16 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.89 1or3 h LEU 60 N 0.38 0.99 -1.04 1.33 3.38 -1.07 -1.38 115.31 117.90 1or3 h LEU 60 Ca -0.07 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1or3 h LEU 60 Cb 1.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1or3 h LEU 60 CO 0.16 1.22 0.57 -0.09 0.09 0.00 0.00 178.44 180.40 1or3 h ARG 61 N 0.77 1.22 -0.43 1.13 9.65 -1.24 0.74 114.38 126.22 1or3 h ARG 61 Ca 0.08 -0.10 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1or3 h ARG 61 Cb 0.91 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 1or3 h ARG 61 CO 0.08 0.84 0.08 0.00 2.80 0.00 0.00 179.97 183.77 1or3 h ALA 62 N 1.38 0.57 -0.17 2.80 0.00 -0.97 -1.23 119.26 121.63 1or3 h ALA 62 Ca 0.33 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1or3 h ALA 62 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1or3 h ALA 62 CO -0.07 0.27 -0.29 -0.07 0.00 0.00 0.00 179.25 179.10 1or3 h LEU 63 N 0.56 0.32 -0.27 0.00 3.38 -0.61 -1.98 115.31 116.71 1or3 h LEU 63 Ca 0.13 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1or3 h LEU 63 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1or3 h LEU 63 CO 0.01 0.61 -0.21 -0.03 0.09 0.00 0.00 178.44 178.90 1or3 h MET 64 N 0.28 0.62 -0.82 1.13 4.05 -0.60 -2.29 114.93 117.31 1or3 h MET 64 Ca 0.04 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.12 1or3 h MET 64 Cb 0.66 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 1or3 h MET 64 CO 0.05 0.90 0.35 -0.44 0.23 0.00 0.00 176.91 177.99 1or3 h ASP 65 N 0.34 1.11 -0.77 1.39 3.32 -1.07 -0.53 116.42 120.21 1or3 h ASP 65 Ca 0.05 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1or3 h ASP 65 Cb 0.76 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1or3 h ASP 65 CO 0.06 0.96 0.27 -0.08 -1.72 0.00 0.00 179.24 178.73 1or3 h GLU 66 N 1.18 1.17 0.37 3.56 4.81 -1.34 -1.46 114.58 122.88 1or3 h GLU 66 Ca 0.28 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1or3 h GLU 66 Cb 0.19 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1or3 h GLU 66 CO -0.03 0.97 -0.18 1.15 -0.73 0.00 0.00 179.01 180.20 1or3 h THR 67 N 1.13 0.63 -0.41 0.32 2.02 -0.80 -1.84 112.91 113.95 1or3 h THR 67 Ca 0.25 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1or3 h THR 67 Cb 0.27 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1or3 h THR 67 CO -0.01 0.07 0.15 0.24 0.37 0.00 0.00 175.52 176.34 1or3 h MET 68 N -0.73 0.58 -0.13 6.66 2.86 -1.08 -1.17 114.93 121.92 1or3 h MET 68 Ca -0.05 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.33 1or3 h MET 68 Cb 0.50 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1or3 h MET 68 CO 0.08 0.49 -0.67 1.57 1.06 0.00 0.00 176.91 179.45 1or3 h LYS 69 N 0.57 0.51 -0.35 1.72 5.09 -1.24 -0.50 116.57 122.37 1or3 h LYS 69 Ca 0.14 -0.38 -0.13 0.00 0.09 0.00 0.00 60.65 60.37 1or3 h LYS 69 Cb 0.14 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.53 1or3 h LYS 69 CO -0.01 1.00 -0.31 0.93 -2.09 0.00 0.00 179.45 178.97 1or3 h GLU 70 N 0.36 0.76 -0.54 0.07 4.39 -0.98 -1.48 114.58 117.17 1or3 h GLU 70 Ca -0.02 -0.35 -0.11 0.00 0.34 0.00 0.00 59.36 59.23 1or3 h GLU 70 Cb 1.24 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1or3 h GLU 70 CO 0.12 0.97 -0.09 1.25 -1.16 0.00 0.00 179.01 180.10 1or3 h LEU 71 N 0.64 1.00 -0.10 1.33 5.85 -1.09 -0.94 115.31 122.01 1or3 h LEU 71 Ca 0.07 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1or3 h LEU 71 Cb 0.84 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1or3 h LEU 71 CO 0.07 1.11 0.06 0.50 -0.34 0.00 0.00 178.44 179.84 1or3 h LYS 72 N 0.88 0.13 -0.58 1.25 3.64 -0.88 -0.32 116.57 120.68 1or3 h LYS 72 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1or3 h LYS 72 Cb 0.65 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1or3 h LYS 72 CO 0.04 0.13 0.36 0.00 -2.27 0.00 0.00 179.45 177.71 1or3 h ALA 73 N 0.99 0.74 0.15 5.00 0.00 -1.16 -1.27 119.26 123.72 1or3 h ALA 73 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1or3 h ALA 73 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1or3 h ALA 73 CO -0.01 0.22 -0.07 -0.92 0.00 0.00 0.00 179.25 178.47 1or3 h TYR 74 N 0.79 -0.19 -0.10 0.00 3.20 -0.89 -1.55 116.97 118.23 1or3 h TYR 74 Ca 0.21 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1or3 h TYR 74 Cb -0.03 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1or3 h TYR 74 CO -0.02 -0.06 -0.04 -0.22 -1.64 0.00 0.00 178.16 176.18 1or3 h LYS 75 N -0.28 0.15 -0.09 1.82 3.11 -0.97 -1.79 116.57 118.51 1or3 h LYS 75 Ca -0.02 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 1or3 h LYS 75 Cb 0.22 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1or3 h LYS 75 CO 0.03 0.20 -0.64 0.77 -2.81 0.00 0.00 179.45 177.00 1or3 h SER 76 N 0.15 0.41 -0.11 4.20 0.02 -0.93 -1.50 113.55 115.79 1or3 h SER 76 Ca 0.04 -0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 60.56 1or3 h SER 76 Cb 0.17 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 1or3 h SER 76 CO 0.01 0.94 -0.60 -0.08 -1.14 0.00 0.00 176.83 175.96 1or3 h GLU 77 N 0.26 0.71 -0.08 3.45 4.81 -0.79 -1.29 114.58 121.65 1or3 h GLU 77 Ca -0.01 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1or3 h GLU 77 Cb 1.18 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1or3 h GLU 77 CO 0.11 1.10 0.02 -0.07 -0.73 0.00 0.00 179.01 179.44 1or3 h LEU 78 N 0.53 0.12 -1.41 1.64 3.38 -1.25 -2.67 115.31 115.66 1or3 h LEU 78 Ca -0.00 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1or3 h LEU 78 Cb 1.18 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1or3 h LEU 78 CO 0.12 0.31 0.46 -0.08 0.09 0.00 0.00 178.44 179.34 1or3 h GLU 79 N -0.08 0.71 -0.41 1.13 4.81 -1.27 -2.77 114.58 116.71 1or3 h GLU 79 Ca 0.03 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1or3 h GLU 79 Cb 0.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1or3 h GLU 79 CO -0.00 0.47 -0.12 1.49 -0.73 0.00 0.00 179.01 180.12 1or3 h GLU 80 N 0.73 0.80 -0.18 1.92 4.57 -0.92 -3.29 114.58 118.21 1or3 h GLU 80 Ca 0.30 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1or3 h GLU 80 Cb 0.23 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1or3 h GLU 80 CO -0.09 0.94 0.00 0.00 -1.18 0.00 0.00 179.01 178.67 1or3 n GLN 81 N -4.30 1.67 -3.98 1.92 10.64 -1.04 -4.93 117.38 117.36 1or3 n GLN 81 Ca -0.01 -1.01 -0.35 0.00 -1.83 0.00 0.00 57.00 53.80 1or3 n GLN 81 Cb 0.38 -1.35 -0.06 0.00 -0.86 0.00 0.00 30.24 28.35 1or3 n GLN 81 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1or3 s LEU 82 N -1.45 4.21 0.36 2.61 0.20 -1.16 -4.90 118.68 118.55 1or3 s LEU 82 Ca 0.29 0.33 0.11 0.00 0.69 0.00 0.00 54.13 55.56 1or3 s LEU 82 Cb 0.16 -2.28 0.67 0.00 -0.43 0.00 0.00 46.19 44.31 1or3 s LEU 82 CO 0.23 0.33 1.81 0.74 -0.29 0.00 0.00 176.35 179.17 1or3 h THR 83 N 3.44 1.27 0.00 3.68 2.02 -1.91 -3.50 112.91 117.91 1or3 h THR 83 Ca -0.51 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1or3 h THR 83 Cb 1.20 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1or3 h THR 83 CO 0.62 0.37 0.00 0.00 0.37 0.00 0.00 175.52 176.89 1or3 n ALA 91 N -2.47 0.00 -0.05 6.16 0.00 -1.26 -5.18 120.51 117.72 1or3 n ALA 91 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1or3 n ALA 91 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 1or3 n ALA 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1or3 h ARG 92 N 0.00 0.06 -0.98 0.00 2.43 -2.06 -3.30 114.38 110.53 1or3 h ARG 92 Ca 0.00 -0.08 0.27 0.00 -0.81 0.00 0.00 59.98 59.36 1or3 h ARG 92 Cb 0.00 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 29.40 1or3 h ARG 92 CO 0.00 0.97 0.03 1.25 -1.51 0.00 0.00 179.97 180.72 1or3 h LEU 93 N -0.82 -0.46 0.06 3.80 6.46 -2.02 0.16 115.31 122.49 1or3 h LEU 93 Ca -0.02 0.28 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1or3 h LEU 93 Cb 1.03 0.48 -0.03 0.00 -0.73 0.00 0.00 40.66 41.41 1or3 h LEU 93 CO 0.02 -0.35 -0.16 -1.28 -0.62 0.00 0.00 178.44 176.05 1or3 h SER 94 N 0.02 -0.46 -0.57 1.25 0.87 -2.00 -0.50 113.55 112.16 1or3 h SER 94 Ca 0.59 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 61.15 1or3 h SER 94 Cb 1.22 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.34 1or3 h SER 94 CO -0.91 -0.23 0.11 0.50 -0.53 0.00 0.00 176.83 175.77 1or3 h LYS 95 N -0.30 0.97 -0.73 2.24 3.64 -1.07 -2.18 116.57 119.13 1or3 h LYS 95 Ca 0.03 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1or3 h LYS 95 Cb 0.34 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1or3 h LYS 95 CO -0.12 0.88 0.28 0.93 -2.27 0.00 0.00 179.45 179.16 1or3 h GLU 96 N 0.91 1.09 -0.42 1.90 5.08 -1.19 -2.37 114.58 119.58 1or3 h GLU 96 Ca 0.19 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1or3 h GLU 96 Cb 0.38 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1or3 h GLU 96 CO 0.01 0.90 0.20 1.25 -1.00 0.00 0.00 179.01 180.37 1or3 h LEU 97 N 1.05 0.28 -0.38 1.33 5.85 -0.67 0.21 115.31 122.97 1or3 h LEU 97 Ca 0.24 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1or3 h LEU 97 Cb 0.22 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1or3 h LEU 97 CO -0.02 0.20 0.00 -0.61 -0.34 0.00 0.00 178.44 177.68 1or3 h GLN 98 N 0.40 0.10 -0.74 1.25 4.15 -1.00 0.24 115.11 119.52 1or3 h GLN 98 Ca 0.18 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1or3 h GLN 98 Cb 0.11 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 1or3 h GLN 98 CO -0.14 0.07 0.46 0.00 -1.93 0.00 0.00 178.83 177.29 1or3 h ALA 99 N 1.33 0.94 -0.64 3.38 0.00 -0.81 0.20 119.26 123.65 1or3 h ALA 99 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1or3 h ALA 99 Cb 0.26 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1or3 h ALA 99 CO -0.31 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.50 1or3 h ALA 100 N 1.25 1.08 -0.46 0.00 0.00 0.22 0.14 119.26 121.50 1or3 h ALA 100 Ca 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1or3 h ALA 100 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1or3 h ALA 100 CO -0.05 0.61 0.28 0.37 0.00 0.00 0.00 179.25 180.46 1or3 h GLN 101 N 0.95 0.62 -0.52 0.00 4.15 0.44 -2.37 115.11 118.38 1or3 h GLN 101 Ca 0.20 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1or3 h GLN 101 Cb 0.33 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1or3 h GLN 101 CO -0.00 0.44 -0.02 0.00 -1.93 0.00 0.00 178.83 177.32 1or3 h ALA 102 N 1.14 0.98 -0.49 3.38 0.00 -0.03 -2.56 119.26 121.68 1or3 h ALA 102 Ca 0.16 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1or3 h ALA 102 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1or3 h ALA 102 CO -0.03 0.62 0.30 -0.09 0.00 0.00 0.00 179.25 180.04 1or3 h ARG 103 N 0.82 0.58 -0.38 0.00 2.43 -0.25 0.12 114.38 117.70 1or3 h ARG 103 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1or3 h ARG 103 Cb 0.52 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1or3 h ARG 103 CO 0.03 0.38 0.10 1.25 -1.51 0.00 0.00 179.97 180.22 1or3 h LEU 104 N 0.59 0.56 -0.84 3.80 5.85 -1.36 -0.75 115.31 123.17 1or3 h LEU 104 Ca 0.19 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1or3 h LEU 104 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1or3 h LEU 104 CO -0.08 0.64 0.55 1.23 -0.34 0.00 0.00 178.44 180.44 1or3 h GLY 105 N 0.46 1.18 1.40 3.75 0.00 -1.05 -1.92 103.07 106.89 1or3 h GLY 105 Ca 0.12 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1or3 h GLY 105 CO -0.00 0.42 -0.24 0.00 0.00 0.00 0.00 176.54 176.72 1or3 h ALA 106 N 1.31 0.92 -0.15 3.60 0.00 -0.52 -0.39 119.26 124.03 1or3 h ALA 106 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1or3 h ALA 106 Cb -0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1or3 h ALA 106 CO -0.07 0.62 0.10 -0.44 0.00 0.00 0.00 179.25 179.45 1or3 h ASP 107 N 0.60 0.18 -0.38 0.00 3.32 -0.65 0.54 116.42 120.02 1or3 h ASP 107 Ca 0.08 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1or3 h ASP 107 Cb 0.73 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1or3 h ASP 107 CO 0.06 0.15 -0.02 0.24 -1.72 0.00 0.00 179.24 177.95 1or3 h MET 108 N 0.19 0.78 -0.54 3.56 2.86 -1.20 -2.05 114.93 118.52 1or3 h MET 108 Ca 0.06 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1or3 h MET 108 Cb 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1or3 h MET 108 CO -0.01 0.80 -0.03 1.49 1.06 0.00 0.00 176.91 180.21 1or3 h GLU 109 N 0.72 0.97 -0.78 1.72 4.57 -0.70 -2.00 114.58 119.08 1or3 h GLU 109 Ca 0.14 -0.33 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1or3 h GLU 109 Cb 0.47 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 1or3 h GLU 109 CO 0.02 1.00 0.35 0.22 -1.18 0.00 0.00 179.01 179.42 1or3 h ASP 110 N 0.85 1.05 0.31 1.04 3.58 -0.66 0.42 116.42 123.01 1or3 h ASP 110 Ca 0.15 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1or3 h ASP 110 Cb 0.58 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1or3 h ASP 110 CO 0.03 0.91 -0.20 0.58 -2.88 0.00 0.00 179.24 177.69 1or3 h VAL 111 N 1.12 0.59 -0.09 2.25 2.07 -1.16 0.18 116.25 121.20 1or3 h VAL 111 Ca 0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1or3 h VAL 111 Cb 0.16 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1or3 h VAL 111 CO -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.47 1or3 h GLY 113 N -0.11 0.02 1.08 0.00 0.00 0.10 -0.24 103.07 103.93 1or3 h GLY 113 Ca 0.07 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1or3 h GLY 113 CO -0.16 0.01 -0.45 3.21 0.00 0.00 0.00 176.54 179.15 1or3 h ARG 114 N 0.02 0.83 -0.19 4.80 2.47 0.54 -1.92 114.38 120.93 1or3 h ARG 114 Ca 0.08 -0.49 -0.17 0.00 -1.26 0.00 0.00 59.98 58.13 1or3 h ARG 114 Cb 0.29 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1or3 h ARG 114 CO -0.00 1.13 -0.59 -0.07 0.56 0.00 0.00 179.97 180.99 1or3 h LEU 115 N 0.61 0.71 -0.75 3.04 3.38 -0.51 -1.73 115.31 120.05 1or3 h LEU 115 Ca 0.03 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1or3 h LEU 115 Cb 1.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1or3 h LEU 115 CO 0.10 1.14 0.05 0.58 0.09 0.00 0.00 178.44 180.41 1or3 h VAL 116 N 0.47 1.26 -0.48 1.22 2.07 -1.05 -2.42 116.25 117.31 1or3 h VAL 116 Ca -0.00 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1or3 h VAL 116 Cb 1.16 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1or3 h VAL 116 CO 0.12 0.39 -0.14 -0.61 0.02 0.00 0.00 177.57 177.34 1or3 h GLN 117 N 0.94 0.94 -0.20 1.57 4.15 -1.26 -2.14 115.11 119.11 1or3 h GLN 117 Ca 0.18 -0.37 0.03 0.00 0.77 0.00 0.00 58.65 59.26 1or3 h GLN 117 Cb 0.47 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1or3 h GLN 117 CO 0.02 1.03 0.03 -0.92 -1.93 0.00 0.00 178.83 177.06 1or3 h TYR 118 N 0.79 0.06 -0.46 3.99 3.20 -1.07 -0.39 116.97 123.08 1or3 h TYR 118 Ca 0.12 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1or3 h TYR 118 Cb 0.70 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1or3 h TYR 118 CO 0.05 0.02 0.18 -0.09 -1.64 0.00 0.00 178.16 176.67 1or3 h ARG 119 N 0.11 0.35 -0.58 1.82 2.43 -1.28 -0.31 114.38 116.93 1or3 h ARG 119 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1or3 h ARG 119 Cb 0.09 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1or3 h ARG 119 CO -0.12 0.23 0.38 0.78 -1.51 0.00 0.00 179.97 179.73 1or3 h GLY 120 N 0.36 0.81 0.89 2.80 0.00 -0.83 -1.92 103.07 105.18 1or3 h GLY 120 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1or3 h GLY 120 CO -0.21 0.30 0.05 0.83 0.00 0.00 0.00 176.54 177.51 1or3 h GLU 121 N 0.78 0.49 -0.71 4.80 5.08 -0.40 -3.03 114.58 121.60 1or3 h GLU 121 Ca 0.21 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1or3 h GLU 121 Cb -0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1or3 h GLU 121 CO -0.05 0.59 0.37 0.28 -1.00 0.00 0.00 179.01 179.20 1or3 h VAL 122 N 0.31 1.22 0.00 3.13 2.07 -0.97 -1.69 116.25 120.33 1or3 h VAL 122 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1or3 h VAL 122 Cb 0.33 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1or3 h VAL 122 CO 0.01 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1or3 n GLN 123 N -4.47 0.17 -0.04 1.57 6.02 -0.73 -1.63 117.38 118.27 1or3 n GLN 123 Ca 0.06 0.17 0.06 0.00 -0.01 0.00 0.00 57.00 57.28 1or3 n GLN 123 Cb 0.11 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.94 1or3 n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1or3 n ALA 124 N -1.29 2.42 1.29 -1.58 0.00 -0.65 -4.53 120.51 116.17 1or3 n ALA 124 Ca 0.06 -0.72 0.13 0.00 0.00 0.00 0.00 53.44 52.91 1or3 n ALA 124 Cb 0.10 -0.44 0.35 0.00 0.00 0.00 0.00 19.45 19.46 1or3 n ALA 124 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1or3 n MET 125 N 0.69 1.74 -3.87 0.00 2.81 -0.65 -5.01 117.12 112.83 1or3 n MET 125 Ca 0.09 -1.20 -0.36 0.00 -1.81 0.00 0.00 57.70 54.42 1or3 n MET 125 Cb 0.34 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 1or3 n MET 125 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1or3 n LEU 126 N 0.42 -1.87 0.00 4.03 4.77 -1.26 -2.16 117.00 120.93 1or3 n LEU 126 Ca 0.16 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1or3 n LEU 126 Cb 0.43 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1or3 n LEU 126 CO 0.18 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1or3 n GLY 127 N -1.89 0.61 3.81 -0.72 0.00 -1.26 -5.01 105.19 100.73 1or3 n GLY 127 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1or3 n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1or3 s GLN 128 N -0.40 3.17 0.16 1.61 -1.52 -0.92 -4.94 119.66 116.82 1or3 s GLN 128 Ca 0.00 1.09 -0.34 0.00 -1.95 0.00 0.00 55.36 54.17 1or3 s GLN 128 Cb 0.00 -2.02 -0.16 0.00 -0.22 0.00 0.00 33.01 30.62 1or3 s GLN 128 CO 0.00 -0.92 1.24 0.45 -0.25 0.00 0.00 175.29 175.81 1or3 n SER 129 N -2.48 1.61 -0.97 5.90 2.88 -1.26 -4.89 113.62 114.41 1or3 n SER 129 Ca 0.08 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 1or3 n SER 129 Cb 0.53 -1.24 0.14 0.00 -0.75 0.00 0.00 64.21 62.89 1or3 n SER 129 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1or3 n THR 130 N 1.83 0.24 -0.32 2.46 -2.24 -1.26 -4.70 114.28 110.29 1or3 n THR 130 Ca 0.15 -0.62 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 1or3 n THR 130 Cb 0.24 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 1or3 n THR 130 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1or3 h GLU 131 N 4.25 -0.09 -0.79 -0.78 4.81 -2.00 -0.74 114.58 119.24 1or3 h GLU 131 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1or3 h GLU 131 Cb 0.93 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1or3 h GLU 131 CO 0.00 -0.06 0.47 0.93 -0.73 0.00 0.00 179.01 179.63 1or3 h GLU 132 N -0.09 1.08 -0.74 1.92 5.08 -2.00 -1.76 114.58 118.07 1or3 h GLU 132 Ca 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1or3 h GLU 132 Cb 0.53 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1or3 h GLU 132 CO -0.86 0.76 0.43 -0.07 -1.00 0.00 0.00 179.01 178.27 1or3 h LEU 133 N 1.10 0.90 -0.48 1.33 4.07 -1.51 -1.94 115.31 118.77 1or3 h LEU 133 Ca 0.29 -0.07 -0.15 0.00 0.08 0.00 0.00 57.88 58.02 1or3 h LEU 133 Cb -0.04 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 1or3 h LEU 133 CO -0.05 0.71 -0.41 0.03 -1.08 0.00 0.00 178.44 177.63 1or3 h ARG 134 N 1.01 0.80 -0.63 1.13 3.08 -0.91 -0.24 114.38 118.62 1or3 h ARG 134 Ca 0.26 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1or3 h ARG 134 Cb -0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1or3 h ARG 134 CO -0.05 1.06 0.26 0.28 -1.07 0.00 0.00 179.97 180.46 1or3 h VAL 135 N 0.65 1.22 -0.22 2.04 2.07 -1.13 -0.62 116.25 120.26 1or3 h VAL 135 Ca 0.05 -0.66 -0.19 0.00 0.82 0.00 0.00 66.70 66.72 1or3 h VAL 135 Cb 0.98 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1or3 h VAL 135 CO 0.09 0.27 -0.59 -0.09 0.02 0.00 0.00 177.57 177.27 1or3 h ARG 136 N 0.90 0.79 -0.34 1.57 2.43 -1.08 -2.72 114.38 115.92 1or3 h ARG 136 Ca 0.22 -0.55 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1or3 h ARG 136 Cb 0.15 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1or3 h ARG 136 CO -0.02 1.18 0.15 1.25 -1.51 0.00 0.00 179.97 181.01 1or3 h LEU 137 N 0.53 0.47 -0.38 3.80 5.85 -0.77 -1.77 115.31 123.04 1or3 h LEU 137 Ca -0.01 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1or3 h LEU 137 Cb 1.20 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1or3 h LEU 137 CO 0.13 0.49 -0.06 0.00 -0.34 0.00 0.00 178.44 178.66 1or3 h ALA 138 N 0.99 0.28 -0.75 1.25 0.00 -1.11 -0.20 119.26 119.74 1or3 h ALA 138 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1or3 h ALA 138 Cb 0.16 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1or3 h ALA 138 CO -0.01 -0.44 0.43 1.03 0.00 0.00 0.00 179.25 180.26 1or3 h SER 139 N 0.03 0.90 -0.51 0.00 0.87 -1.24 -0.21 113.55 113.40 1or3 h SER 139 Ca 0.18 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1or3 h SER 139 Cb 0.27 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1or3 h SER 139 CO -0.36 0.71 -0.06 0.45 -0.53 0.00 0.00 176.83 177.05 1or3 h HIS 140 N 1.03 1.03 -0.11 2.24 -0.00 -0.41 -2.49 115.15 116.44 1or3 h HIS 140 Ca 0.27 -0.20 -0.13 0.00 -0.00 0.00 0.00 60.37 60.30 1or3 h HIS 140 Cb -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1or3 h HIS 140 CO 0.01 0.97 -0.52 -0.07 -0.00 0.00 0.00 177.93 178.32 1or3 h LEU 141 N 0.80 0.33 -0.65 2.43 3.38 -0.55 -1.80 115.31 119.25 1or3 h LEU 141 Ca 0.14 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1or3 h LEU 141 Cb 0.60 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1or3 h LEU 141 CO 0.04 0.79 -0.24 0.03 0.09 0.00 0.00 178.44 179.15 1or3 h ARG 142 N 0.23 0.80 -0.37 1.13 3.08 -0.94 -1.73 114.38 116.58 1or3 h ARG 142 Ca 0.01 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.59 1or3 h ARG 142 Cb 0.99 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1or3 h ARG 142 CO 0.08 0.96 -0.31 0.87 -1.07 0.00 0.00 179.97 180.50 1or3 h LYS 143 N 0.69 0.86 0.00 0.04 1.57 -1.30 -2.92 116.57 115.52 1or3 h LYS 143 Ca 0.09 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1or3 h LYS 143 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1or3 h LYS 143 CO 0.06 1.08 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.62 1or3 h LEU 144 N 0.67 0.00 -0.72 2.94 3.38 -1.21 -2.48 115.31 117.87 1or3 h LEU 144 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1or3 h LEU 144 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1or3 h LEU 144 CO 0.08 0.33 -0.23 0.03 0.09 0.00 0.00 178.44 178.74 1or3 h ARG 145 N 0.00 0.72 -0.14 1.13 3.08 -1.17 0.16 114.38 118.16 1or3 h ARG 145 Ca -0.00 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1or3 h ARG 145 Cb 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1or3 h ARG 145 CO 0.04 0.89 -0.33 0.87 -1.07 0.00 0.00 179.97 180.38 1or3 h LYS 146 N 0.63 0.29 -0.18 0.04 1.79 -1.28 -1.87 116.57 115.99 1or3 h LYS 146 Ca 0.09 -0.12 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 1or3 h LYS 146 Cb 0.73 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1or3 h LYS 146 CO 0.06 0.59 -0.72 0.00 -1.08 0.00 0.00 179.45 178.30 1or3 h ARG 147 N 0.25 0.80 -0.78 3.15 3.08 -0.99 -2.96 114.38 116.93 1or3 h ARG 147 Ca 0.03 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.43 1or3 h ARG 147 Cb 0.70 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1or3 h ARG 147 CO 0.05 1.22 0.30 -0.07 -1.07 0.00 0.00 179.97 180.41 1or3 h LEU 148 N 0.56 1.08 0.42 3.04 3.38 -0.46 -0.54 115.31 122.80 1or3 h LEU 148 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1or3 h LEU 148 Cb 1.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1or3 h LEU 148 CO 0.15 0.97 -0.27 -0.07 0.09 0.00 0.00 178.44 179.31 1or3 h LEU 149 N 1.13 -0.67 -0.54 1.67 3.38 -1.31 -1.15 115.31 117.82 1or3 h LEU 149 Ca 0.26 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 1or3 h LEU 149 Cb 0.23 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1or3 h LEU 149 CO -0.02 -0.42 -0.67 0.08 0.09 0.00 0.00 178.44 177.50 1or3 h ARG 150 N -0.66 0.26 -0.46 1.13 0.11 -1.48 -2.42 114.38 110.86 1or3 h ARG 150 Ca -0.05 -0.20 -0.10 0.00 0.10 0.00 0.00 59.98 59.74 1or3 h ARG 150 Cb 0.54 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 1or3 h ARG 150 CO 0.04 0.84 -0.10 -0.44 0.10 0.00 0.00 179.97 180.41 1or3 h ASP 151 N 0.18 0.88 -0.24 0.08 3.32 -1.04 -0.21 116.42 119.38 1or3 h ASP 151 Ca -0.02 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.55 1or3 h ASP 151 Cb 1.21 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1or3 h ASP 151 CO 0.11 1.03 -0.33 0.00 -1.72 0.00 0.00 179.24 178.33 1or3 h ALA 152 N 0.88 0.37 -0.74 3.45 0.00 -1.25 -1.71 119.26 120.25 1or3 h ALA 152 Ca 0.12 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1or3 h ALA 152 Cb 0.64 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1or3 h ALA 152 CO 0.04 0.41 0.49 0.22 0.00 0.00 0.00 179.25 180.41 1or3 h ASP 153 N 0.36 0.82 -0.19 0.00 3.58 -1.35 0.19 116.42 119.83 1or3 h ASP 153 Ca 0.03 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.31 1or3 h ASP 153 Cb 0.91 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1or3 h ASP 153 CO 0.08 0.58 -0.44 -0.78 -2.88 0.00 0.00 179.24 175.80 1or3 h ASP 154 N 0.96 0.80 -0.25 2.28 3.58 -0.86 -2.31 116.42 120.62 1or3 h ASP 154 Ca 0.28 -0.38 -0.15 0.00 0.42 0.00 0.00 57.03 57.20 1or3 h ASP 154 Cb -0.03 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 1or3 h ASP 154 CO -0.07 1.12 -0.40 0.25 -2.88 0.00 0.00 179.24 177.26 1or3 h LEU 155 N 0.60 0.85 -0.03 2.28 5.85 -0.52 -2.12 115.31 122.21 1or3 h LEU 155 Ca 0.04 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1or3 h LEU 155 Cb 0.99 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1or3 h LEU 155 CO 0.09 1.14 0.01 -0.61 -0.34 0.00 0.00 178.44 178.73 1or3 h GLN 156 N 0.65 0.05 0.00 1.25 4.15 -0.56 -0.49 115.11 120.16 1or3 h GLN 156 Ca 0.05 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 1or3 h GLN 156 Cb 0.96 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1or3 h GLN 156 CO 0.09 0.23 -0.28 0.87 -1.93 0.00 0.00 178.83 177.81 1or3 h LYS 157 N -0.14 0.00 0.16 1.69 1.57 -1.42 -2.07 116.57 116.36 1or3 h LYS 157 Ca 0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.48 1or3 h LYS 157 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.54 1or3 h LYS 157 CO -0.00 0.28 -1.31 0.00 -0.57 0.00 0.00 179.45 177.85 1or3 h ARG 158 N 0.00 0.58 -0.14 3.15 3.08 -1.24 -2.90 114.38 116.91 1or3 h ARG 158 Ca -0.00 -0.83 -0.05 0.00 0.07 0.00 0.00 59.98 59.17 1or3 h ARG 158 Cb 0.55 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1or3 h ARG 158 CO 0.04 1.38 -0.14 -0.07 -1.07 0.00 0.00 179.97 180.11 1or3 h LEU 159 N 0.23 0.20 -0.65 3.04 3.38 -0.91 -1.46 115.31 119.15 1or3 h LEU 159 Ca -0.20 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1or3 h LEU 159 Cb 1.98 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1or3 h LEU 159 CO 0.25 0.37 -0.58 0.00 0.09 0.00 0.00 178.44 178.56 1or3 h ALA 160 N 1.66 0.84 0.13 1.53 0.00 -1.36 -2.82 119.26 119.24 1or3 h ALA 160 Ca 0.04 -0.53 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 1or3 h ALA 160 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1or3 h ALA 160 CO 0.02 0.71 -1.24 0.28 0.00 0.00 0.00 179.25 179.02 1or3 h VAL 161 N 0.22 1.42 -0.90 0.00 2.07 -1.30 -3.31 116.25 114.45 1or3 h VAL 161 Ca -0.00 -2.83 0.03 0.00 0.82 0.00 0.00 66.70 64.72 1or3 h VAL 161 Cb 1.09 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.66 1or3 h VAL 161 CO 0.09 0.84 0.60 0.22 0.02 0.00 0.00 177.57 179.33 1or3 h TYR 162 N 0.14 1.11 -1.16 1.57 3.20 -1.20 -3.45 116.97 117.18 1or3 h TYR 162 Ca -0.15 0.03 -0.80 0.00 3.14 0.00 0.00 58.73 60.94 1or3 h TYR 162 Cb 1.94 -0.37 0.03 0.00 1.54 0.00 0.00 36.73 39.87 1or3 h TYR 162 CO 0.08 0.66 0.46 1.04 -1.64 0.00 0.00 178.16 178.75 1or3 n GLN 163 N -4.43 0.30 0.00 1.82 6.02 -1.07 -5.05 117.38 114.97 1or3 n GLN 163 Ca 0.12 0.11 0.10 0.00 -0.01 0.00 0.00 57.00 57.31 1or3 n GLN 163 Cb 0.08 -1.65 0.57 0.00 1.02 0.00 0.00 30.24 30.26 1or3 n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05