#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lpe n GLN 24 N 0.00 0.00 -0.27 1.61 10.64 -1.26 -4.79 117.38 123.30 1lpe n GLN 24 Ca 0.00 -0.95 -0.02 0.00 -1.83 0.00 0.00 57.00 54.20 1lpe n GLN 24 Cb 0.00 -0.43 0.16 0.00 -0.86 0.00 0.00 30.24 29.11 1lpe n GLN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1lpe h ARG 25 N 0.04 1.12 0.00 2.61 3.08 -2.00 -1.91 114.38 117.32 1lpe h ARG 25 Ca -0.01 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1lpe h ARG 25 Cb 1.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1lpe h ARG 25 CO 0.00 0.80 -0.28 0.11 -1.07 0.00 0.00 179.97 179.53 1lpe h TRP 26 N 1.13 0.00 0.00 3.04 5.08 -1.87 -2.63 115.95 120.70 1lpe h TRP 26 Ca 0.29 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.15 1lpe h TRP 26 Cb -0.02 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.13 1lpe h TRP 26 CO 0.01 0.28 -0.54 0.93 -1.28 0.00 0.00 178.44 177.83 1lpe h GLU 27 N 0.00 0.00 0.01 0.12 5.08 -1.68 0.39 114.58 118.49 1lpe h GLU 27 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1lpe h GLU 27 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1lpe h GLU 27 CO 0.04 0.54 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.27 1lpe h LEU 28 N 0.00 0.21 -0.66 1.33 4.07 -1.37 0.38 115.31 119.27 1lpe h LEU 28 Ca -0.01 -0.81 -0.01 0.00 0.08 0.00 0.00 57.88 57.13 1lpe h LEU 28 Cb 0.96 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.61 1lpe h LEU 28 CO 0.07 1.00 0.36 0.00 -1.08 0.00 0.00 178.44 178.79 1lpe h ALA 29 N 0.21 0.84 0.00 1.53 0.00 -1.43 0.29 119.26 120.71 1lpe h ALA 29 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1lpe h ALA 29 Cb 1.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lpe h ALA 29 CO 0.05 0.35 -0.26 1.25 0.00 0.00 0.00 179.25 180.64 1lpe h LEU 30 N 0.90 0.00 -0.41 0.00 5.85 -0.86 -2.44 115.31 118.34 1lpe h LEU 30 Ca 0.23 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1lpe h LEU 30 Cb 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1lpe h LEU 30 CO -0.04 0.26 0.01 1.23 -0.34 0.00 0.00 178.44 179.56 1lpe h GLY 31 N 1.03 0.78 1.15 3.75 0.00 0.33 -1.10 103.07 109.01 1lpe h GLY 31 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1lpe h GLY 31 CO 0.03 0.52 0.49 3.21 0.00 0.00 0.00 176.54 180.79 1lpe h ARG 32 N 0.56 1.12 -0.49 4.80 3.08 -0.87 0.17 114.38 122.75 1lpe h ARG 32 Ca 0.12 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1lpe h ARG 32 Cb 0.46 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1lpe h ARG 32 CO 0.02 0.79 0.32 0.35 -1.07 0.00 0.00 179.97 180.38 1lpe h PHE 33 N 1.14 0.61 -0.34 3.04 3.57 -1.10 -2.69 116.94 121.17 1lpe h PHE 33 Ca 0.30 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 1lpe h PHE 33 Cb -0.04 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1lpe h PHE 33 CO 0.00 0.38 -0.44 2.35 -2.23 0.00 0.00 178.31 178.37 1lpe h TRP 34 N 0.65 1.08 -0.60 0.41 2.91 -0.98 -1.11 115.95 118.31 1lpe h TRP 34 Ca 0.18 -0.34 -0.10 0.00 1.13 0.00 0.00 58.89 59.76 1lpe h TRP 34 Cb -0.07 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.34 1lpe h TRP 34 CO -0.04 1.16 -0.01 -0.44 -1.03 0.00 0.00 178.44 178.08 1lpe h ASP 35 N 0.71 1.04 -0.81 2.65 5.19 -0.59 -1.97 116.42 122.65 1lpe h ASP 35 Ca 0.04 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1lpe h ASP 35 Cb 1.04 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 1lpe h ASP 35 CO 0.10 1.10 0.46 0.22 -3.12 0.00 0.00 179.24 178.00 1lpe h TYR 36 N 0.96 1.09 -0.01 4.55 5.03 -1.29 -0.32 116.97 126.97 1lpe h TYR 36 Ca 0.17 -0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.31 1lpe h TYR 36 Cb 0.57 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1lpe h TYR 36 CO 0.04 0.75 -0.69 1.25 -1.32 0.00 0.00 178.16 178.20 1lpe h LEU 37 N 1.12 0.08 -0.86 2.82 5.85 -1.16 -0.66 115.31 122.49 1lpe h LEU 37 Ca 0.29 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1lpe h LEU 37 Cb 0.01 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1lpe h LEU 37 CO -0.05 0.74 0.15 -0.09 -0.34 0.00 0.00 178.44 178.85 1lpe h ARG 38 N 0.04 0.99 0.00 1.25 2.43 -0.52 0.04 114.38 118.62 1lpe h ARG 38 Ca -0.01 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1lpe h ARG 38 Cb 1.22 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1lpe h ARG 38 CO 0.09 0.88 -0.00 2.35 -1.51 0.00 0.00 179.97 181.79 1lpe h TRP 39 N 0.94 -0.01 -0.87 2.20 7.01 -0.71 -3.15 115.95 121.37 1lpe h TRP 39 Ca 0.20 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.31 1lpe h TRP 39 Cb 0.35 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 1lpe h TRP 39 CO 0.02 0.26 0.56 0.28 -2.79 0.00 0.00 178.44 176.78 1lpe h VAL 40 N -0.27 0.92 -0.18 2.65 2.07 -0.83 0.19 116.25 120.79 1lpe h VAL 40 Ca -0.00 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1lpe h VAL 40 Cb 0.27 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1lpe h VAL 40 CO 0.00 0.14 0.14 -0.61 0.02 0.00 0.00 177.57 177.26 1lpe h GLN 41 N 0.79 0.00 0.00 1.57 5.75 -0.95 -1.05 115.11 121.22 1lpe h GLN 41 Ca 0.42 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1lpe h GLN 41 Cb 0.52 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.07 1lpe h GLN 41 CO -0.18 0.00 -0.01 1.79 -2.65 0.00 0.00 178.83 177.78 1lpe h THR 42 N 0.00 0.03 -7.05 2.39 1.35 -0.95 -3.47 112.91 105.21 1lpe h THR 42 Ca 0.09 -0.31 -0.61 0.00 -0.55 0.00 0.00 66.41 65.02 1lpe h THR 42 Cb 0.36 1.30 -0.24 0.00 -1.73 0.00 0.00 68.15 67.84 1lpe h THR 42 CO -0.00 0.01 -0.94 0.18 -0.25 0.00 0.00 175.52 174.51 1lpe n LEU 43 N -3.12 -1.07 -4.48 3.87 4.77 -0.40 -4.99 117.00 111.58 1lpe n LEU 43 Ca -0.01 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.43 1lpe n LEU 43 Cb 0.21 -1.67 0.26 0.00 -2.33 0.00 0.00 43.42 39.89 1lpe n LEU 43 CO 0.24 0.37 0.54 -0.94 -1.33 0.00 0.00 177.39 176.27 1lpe s SER 44 N -4.06 0.29 0.17 -1.43 1.04 -1.26 -4.69 113.70 103.77 1lpe s SER 44 Ca 0.24 0.82 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 1lpe s SER 44 Cb -0.14 -1.18 0.12 0.00 0.10 0.00 0.00 66.02 64.92 1lpe s SER 44 CO 0.99 -4.53 1.73 -0.33 0.98 0.00 0.00 173.24 172.09 1lpe h GLU 45 N -2.85 0.23 -0.16 4.02 4.39 -2.00 -1.64 114.58 116.58 1lpe h GLU 45 Ca -0.47 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 1lpe h GLU 45 Cb 1.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1lpe h GLU 45 CO 0.35 0.15 -0.43 1.96 -1.16 0.00 0.00 179.01 179.89 1lpe h GLN 46 N 0.24 0.37 0.44 2.33 1.08 -1.99 -1.21 115.11 116.37 1lpe h GLN 46 Ca 0.20 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1lpe h GLN 46 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1lpe h GLN 46 CO -0.25 0.74 -0.21 0.28 -0.95 0.00 0.00 178.83 178.43 1lpe h VAL 47 N 0.31 0.45 -0.47 -0.54 2.07 -1.85 -2.12 116.25 114.10 1lpe h VAL 47 Ca 0.02 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1lpe h VAL 47 Cb 0.88 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 31.20 1lpe h VAL 47 CO 0.07 0.07 -0.21 1.56 0.02 0.00 0.00 177.57 179.09 1lpe h GLN 48 N -0.92 -0.10 -0.83 1.57 4.20 -1.25 -0.48 115.11 117.30 1lpe h GLN 48 Ca -0.06 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.76 1lpe h GLN 48 Cb 0.57 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.25 1lpe h GLN 48 CO 0.10 -0.07 -0.48 0.93 -0.67 0.00 0.00 178.83 178.64 1lpe h GLU 49 N -0.11 -0.10 0.00 1.46 4.39 -1.18 -1.91 114.58 117.13 1lpe h GLU 49 Ca 0.22 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1lpe h GLU 49 Cb 0.45 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1lpe h GLU 49 CO -0.54 -0.06 0.00 0.39 -1.16 0.00 0.00 179.01 177.64 1lpe n GLU 50 N -5.37 0.01 0.14 2.33 1.02 -0.80 -2.65 120.64 115.32 1lpe n GLU 50 Ca 0.04 0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 1lpe n GLU 50 Cb 0.33 -1.51 -0.16 0.00 -0.02 0.00 0.00 31.44 30.08 1lpe n GLU 50 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1lpe h LEU 51 N 0.00 0.83 -0.00 -4.62 3.38 -0.36 -1.40 115.31 113.14 1lpe h LEU 51 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1lpe h LEU 51 Cb 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lpe h LEU 51 CO 0.00 1.71 0.00 0.18 0.09 0.00 0.00 178.44 180.42 1lpe n LEU 52 N -3.70 0.24 0.00 1.67 4.77 -0.84 -4.62 117.00 114.51 1lpe n LEU 52 Ca -0.17 0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 1lpe n LEU 52 Cb 1.10 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 41.76 1lpe n LEU 52 CO 0.60 -0.06 0.11 -1.54 -1.33 0.00 0.00 177.39 175.17 1lpe n SER 53 N -1.72 0.65 -1.31 -1.43 3.41 -1.08 -5.00 113.62 107.14 1lpe n SER 53 Ca 0.07 -1.46 0.07 0.00 -0.26 0.00 0.00 58.87 57.29 1lpe n SER 53 Cb 0.36 -0.12 0.28 0.00 -0.26 0.00 0.00 64.21 64.47 1lpe n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1lpe n SER 54 N -2.78 3.83 -0.11 4.04 2.88 -1.26 -4.71 113.62 115.51 1lpe n SER 54 Ca 0.05 -2.37 -0.12 0.00 -1.33 0.00 0.00 58.87 55.10 1lpe n SER 54 Cb 0.18 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.09 1lpe n SER 54 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1lpe h GLN 55 N 3.15 0.72 -0.18 -1.46 4.15 -1.85 -1.03 115.11 118.61 1lpe h GLN 55 Ca 0.00 -0.32 -0.16 0.00 0.77 0.00 0.00 58.65 58.94 1lpe h GLN 55 Cb 1.21 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1lpe h GLN 55 CO 0.19 0.93 -0.50 -0.39 -1.93 0.00 0.00 178.83 177.13 1lpe h VAL 56 N 0.50 1.32 0.00 2.39 -1.51 -1.54 -0.27 116.25 117.14 1lpe h VAL 56 Ca 0.07 -1.74 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1lpe h VAL 56 Cb 0.72 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1lpe h VAL 56 CO 0.05 0.54 -0.14 0.71 -1.23 0.00 0.00 177.57 177.51 1lpe h THR 57 N 0.34 0.97 -0.31 7.19 1.35 -1.83 0.21 112.91 120.84 1lpe h THR 57 Ca -0.01 -0.49 -0.18 0.00 -0.55 0.00 0.00 66.41 65.18 1lpe h THR 57 Cb 1.12 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1lpe h THR 57 CO 0.11 0.13 -0.50 1.56 -0.25 0.00 0.00 175.52 176.57 1lpe h GLN 58 N 0.00 0.88 -0.03 4.72 1.08 -0.90 -2.24 115.11 118.62 1lpe h GLN 58 Ca -0.00 -0.54 -0.24 0.00 -1.45 0.00 0.00 58.65 56.42 1lpe h GLN 58 Cb 0.26 0.06 0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1lpe h GLN 58 CO 0.02 1.18 -0.92 0.93 -0.95 0.00 0.00 178.83 179.08 1lpe h GLU 59 N 0.67 0.67 -0.50 1.46 5.08 -0.40 -3.06 114.58 118.50 1lpe h GLU 59 Ca 0.02 -0.69 -0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1lpe h GLU 59 Cb 1.11 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1lpe h GLU 59 CO 0.12 1.28 0.30 -0.07 -1.00 0.00 0.00 179.01 179.64 1lpe h LEU 60 N 0.33 0.60 0.48 1.33 3.38 -0.71 -2.65 115.31 118.07 1lpe h LEU 60 Ca -0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1lpe h LEU 60 Cb 1.58 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1lpe h LEU 60 CO 0.18 0.46 -0.23 -0.09 0.09 0.00 0.00 178.44 178.85 1lpe h ARG 61 N 0.69 -0.62 -0.97 1.13 9.65 -1.46 -1.03 114.38 121.76 1lpe h ARG 61 Ca 0.18 0.04 0.19 0.00 -1.10 0.00 0.00 59.98 59.30 1lpe h ARG 61 Cb -0.03 0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 28.58 1lpe h ARG 61 CO -0.03 -0.40 0.56 0.00 2.80 0.00 0.00 179.97 182.90 1lpe h ALA 62 N -0.14 1.61 -0.23 2.80 0.00 -1.41 -1.42 119.26 120.47 1lpe h ALA 62 Ca -0.07 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1lpe h ALA 62 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1lpe h ALA 62 CO 0.11 -0.11 -0.08 -0.07 0.00 0.00 0.00 179.25 179.10 1lpe h LEU 63 N 0.69 0.47 -0.56 0.00 3.38 -1.25 -2.21 115.31 115.82 1lpe h LEU 63 Ca 0.57 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1lpe h LEU 63 Cb 0.92 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 1lpe h LEU 63 CO -0.41 0.75 0.15 -0.03 0.09 0.00 0.00 178.44 178.99 1lpe h MET 64 N 0.18 0.29 -0.54 1.13 4.05 -0.61 -2.05 114.93 117.38 1lpe h MET 64 Ca 0.05 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1lpe h MET 64 Cb 0.56 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1lpe h MET 64 CO 0.03 0.19 -0.00 -0.44 0.23 0.00 0.00 176.91 176.92 1lpe h ASP 65 N 0.30 0.89 -0.42 1.39 5.19 -1.16 -0.44 116.42 122.17 1lpe h ASP 65 Ca 0.29 -0.24 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1lpe h ASP 65 Cb 0.39 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1lpe h ASP 65 CO -0.34 0.96 -0.28 -0.08 -3.12 0.00 0.00 179.24 176.38 1lpe h GLU 66 N 0.85 0.92 0.18 3.56 4.81 -1.12 -1.44 114.58 122.35 1lpe h GLU 66 Ca 0.16 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1lpe h GLU 66 Cb 0.51 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1lpe h GLU 66 CO 0.02 1.09 -0.10 1.15 -0.73 0.00 0.00 179.01 180.44 1lpe h THR 67 N 0.75 0.78 -0.34 0.32 2.02 -1.06 0.28 112.91 115.66 1lpe h THR 67 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1lpe h THR 67 Cb 0.86 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1lpe h THR 67 CO 0.08 0.00 0.12 0.24 0.37 0.00 0.00 175.52 176.32 1lpe h MET 68 N -0.27 0.52 -0.08 6.66 2.86 -1.15 -0.19 114.93 123.27 1lpe h MET 68 Ca -0.02 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1lpe h MET 68 Cb 0.22 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1lpe h MET 68 CO 0.03 0.53 -0.43 -0.22 1.06 0.00 0.00 176.91 177.88 1lpe h LYS 69 N 0.39 -0.51 0.00 1.72 3.64 -1.23 -0.53 116.57 120.05 1lpe h LYS 69 Ca 0.11 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1lpe h LYS 69 Cb 0.22 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1lpe h LYS 69 CO -0.01 -0.34 -0.09 0.93 -2.27 0.00 0.00 179.45 177.68 1lpe h GLU 70 N -0.53 0.00 0.13 1.90 4.39 -0.83 -2.54 114.58 117.09 1lpe h GLU 70 Ca 0.06 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.48 1lpe h GLU 70 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1lpe h GLU 70 CO -0.37 0.09 -1.28 1.25 -1.16 0.00 0.00 179.01 177.54 1lpe h LEU 71 N 0.00 0.41 -0.79 1.33 5.85 -0.70 -2.39 115.31 119.03 1lpe h LEU 71 Ca -0.00 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 1lpe h LEU 71 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1lpe h LEU 71 CO 0.01 1.36 0.17 0.11 -0.34 0.00 0.00 178.44 179.75 1lpe h LYS 72 N 0.07 1.08 0.00 1.25 1.57 -0.84 -2.19 116.57 117.51 1lpe h LYS 72 Ca -0.15 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 1lpe h LYS 72 Cb 1.98 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1lpe h LYS 72 CO 0.20 0.95 -0.59 0.00 -0.57 0.00 0.00 179.45 179.44 1lpe h ALA 73 N 1.15 0.92 -0.22 3.86 0.00 -1.48 -1.44 119.26 122.05 1lpe h ALA 73 Ca 0.22 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1lpe h ALA 73 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lpe h ALA 73 CO 0.00 0.73 -0.59 -0.92 0.00 0.00 0.00 179.25 178.47 1lpe h TYR 74 N 0.00 1.03 -0.33 0.00 3.20 -1.34 -1.64 116.97 117.89 1lpe h TYR 74 Ca -0.01 -0.40 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 1lpe h TYR 74 Cb 1.11 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1lpe h TYR 74 CO 0.00 1.22 -0.08 -0.22 -1.64 0.00 0.00 178.16 177.44 1lpe h LYS 75 N 0.55 0.63 -0.23 1.82 3.64 -1.28 0.80 116.57 122.49 1lpe h LYS 75 Ca -0.01 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1lpe h LYS 75 Cb 1.21 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1lpe h LYS 75 CO 0.13 0.81 -0.31 1.03 -2.27 0.00 0.00 179.45 178.84 1lpe h SER 76 N 0.41 -0.98 0.44 4.20 0.87 -1.26 -0.31 113.55 116.93 1lpe h SER 76 Ca 0.08 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1lpe h SER 76 Cb 0.58 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1lpe h SER 76 CO 0.03 -0.33 -0.35 -0.33 -0.53 0.00 0.00 176.83 175.32 1lpe h GLU 77 N -0.32 0.00 0.00 2.24 5.08 -1.17 -2.97 114.58 117.44 1lpe h GLU 77 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1lpe h GLU 77 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1lpe h GLU 77 CO -0.42 0.35 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.32 1lpe h LEU 78 N 0.00 0.00 0.00 1.33 3.38 0.51 -2.95 115.31 117.58 1lpe h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lpe h LEU 78 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1lpe h LEU 78 CO 0.05 0.56 0.03 -0.62 0.09 0.00 0.00 178.44 178.55 1lpe n GLU 79 N -3.78 0.00 0.09 1.13 4.71 -0.26 -1.55 120.64 120.98 1lpe n GLU 79 Ca -0.01 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1lpe n GLU 79 Cb 0.58 -1.53 0.06 0.00 -1.01 0.00 0.00 31.44 29.54 1lpe n GLU 79 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1lpe h GLU 80 N 0.00 0.00 -1.49 3.49 4.39 -1.62 -3.40 114.58 115.95 1lpe h GLU 80 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1lpe h GLU 80 Cb 0.07 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.31 1lpe h GLU 80 CO 0.00 0.00 -0.91 0.00 -1.16 0.00 0.00 179.01 176.94 1lpe n GLN 81 N -2.47 2.46 -3.42 2.33 10.64 -0.60 -5.09 117.38 121.23 1lpe n GLN 81 Ca 0.01 -4.05 -0.37 0.00 -1.83 0.00 0.00 57.00 50.76 1lpe n GLN 81 Cb 0.51 -1.88 -0.07 0.00 -0.86 0.00 0.00 30.24 27.94 1lpe n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1lpe s LEU 82 N -3.30 4.21 0.55 2.61 1.43 -1.25 -4.55 118.68 118.38 1lpe s LEU 82 Ca 0.41 0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 53.90 1lpe s LEU 82 Cb 0.40 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 1lpe s LEU 82 CO -0.10 0.00 1.05 0.42 0.23 0.00 0.00 176.35 177.95 1lpe s THR 83 N 0.87 3.78 0.00 5.49 -4.23 0.07 -4.86 115.64 116.76 1lpe s THR 83 Ca 0.20 0.96 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1lpe s THR 83 Cb -0.14 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1lpe s THR 83 CO 0.07 -0.38 0.26 -2.65 -0.54 0.00 0.00 174.62 171.38 1lpe n PRO 84 N -1.55 0.00 -4.55 3.99 -0.02 -1.26 -4.77 135.00 126.84 1lpe n PRO 84 Ca 0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1lpe n PRO 84 Cb 0.53 -0.70 -0.13 0.00 -0.02 0.00 0.00 33.50 33.18 1lpe n PRO 84 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1lpe s VAL 85 N 1.74 3.58 0.32 -1.45 -7.23 -1.26 -5.08 120.40 111.02 1lpe s VAL 85 Ca 0.00 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 1lpe s VAL 85 Cb 0.00 -2.54 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1lpe s VAL 85 CO 0.00 0.51 1.50 0.00 -0.31 0.00 0.00 175.10 176.80 1lpe s ALA 86 N 0.31 3.63 0.34 1.32 0.00 -1.26 -4.43 121.76 121.67 1lpe s ALA 86 Ca -0.06 1.50 0.20 0.00 0.00 0.00 0.00 51.96 53.60 1lpe s ALA 86 Cb -0.15 -3.60 1.22 0.00 0.00 0.00 0.00 23.12 20.59 1lpe s ALA 86 CO 0.04 -0.94 1.41 -1.91 0.00 0.00 0.00 175.76 174.36 1lpe n GLU 87 N 1.37 -0.05 0.27 0.00 2.13 -1.26 -0.61 120.64 122.49 1lpe n GLU 87 Ca 0.04 1.23 0.18 0.00 0.66 0.00 0.00 57.16 59.27 1lpe n GLU 87 Cb 0.39 -2.22 0.78 0.00 0.27 0.00 0.00 31.44 30.66 1lpe n GLU 87 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1lpe h GLU 88 N 0.00 0.00 0.00 5.31 4.57 -1.97 -1.93 114.58 120.56 1lpe h GLU 88 Ca 0.76 0.00 -0.42 0.00 -1.18 0.00 0.00 59.36 58.53 1lpe h GLU 88 Cb 2.06 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.59 1lpe h GLU 88 CO -0.67 0.00 -2.41 0.25 -1.18 0.00 0.00 179.01 175.00 1lpe n THR 89 N -2.96 1.39 -0.19 0.32 -2.24 0.22 -3.88 114.28 106.94 1lpe n THR 89 Ca -0.00 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 1lpe n THR 89 Cb 0.24 -1.77 0.28 0.00 -2.10 0.00 0.00 70.33 66.97 1lpe n THR 89 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1lpe h ARG 90 N -0.78 0.90 0.00 -0.78 0.11 -1.39 -1.93 114.38 110.51 1lpe h ARG 90 Ca -0.63 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.39 1lpe h ARG 90 Cb 1.60 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.48 1lpe h ARG 90 CO -0.35 0.60 -0.22 0.00 0.10 0.00 0.00 179.97 180.09 1lpe n ALA 91 N -2.43 2.62 -0.04 0.08 0.00 -0.73 -2.44 120.51 117.57 1lpe n ALA 91 Ca 0.08 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1lpe n ALA 91 Cb 0.07 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 1lpe n ALA 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1lpe h ARG 92 N 0.00 0.42 -0.52 0.00 2.43 -1.50 -3.13 114.38 112.08 1lpe h ARG 92 Ca 0.00 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1lpe h ARG 92 Cb 0.66 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1lpe h ARG 92 CO 0.00 0.91 0.08 -0.07 -1.51 0.00 0.00 179.97 179.37 1lpe h LEU 93 N 0.01 0.82 -0.61 3.80 3.38 -1.41 -2.11 115.31 119.19 1lpe h LEU 93 Ca -0.00 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1lpe h LEU 93 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1lpe h LEU 93 CO 0.07 0.88 -0.00 0.77 0.09 0.00 0.00 178.44 180.24 1lpe h SER 94 N 0.74 1.06 -0.99 -0.43 4.64 -1.58 -1.18 113.55 115.81 1lpe h SER 94 Ca 0.16 -0.31 0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1lpe h SER 94 Cb 0.41 -0.29 -0.07 0.00 -0.31 0.00 0.00 62.40 62.15 1lpe h SER 94 CO 0.01 1.11 0.64 0.50 -0.87 0.00 0.00 176.83 178.22 1lpe h LYS 95 N 0.98 1.12 -0.11 4.77 3.64 -1.53 0.33 116.57 125.78 1lpe h LYS 95 Ca 0.17 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1lpe h LYS 95 Cb 0.57 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1lpe h LYS 95 CO 0.03 0.74 -0.51 0.93 -2.27 0.00 0.00 179.45 178.37 1lpe h GLU 96 N 1.15 0.29 0.05 1.90 5.08 -1.28 -2.92 114.58 118.85 1lpe h GLU 96 Ca 0.43 -0.17 -0.24 0.00 -1.00 0.00 0.00 59.36 58.38 1lpe h GLU 96 Cb 0.18 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1lpe h GLU 96 CO -0.17 0.73 -1.04 1.25 -1.00 0.00 0.00 179.01 178.79 1lpe h LEU 97 N 0.23 0.43 -1.03 1.33 6.46 -0.55 -2.94 115.31 119.23 1lpe h LEU 97 Ca 0.01 -0.38 -0.10 0.00 -0.12 0.00 0.00 57.88 57.29 1lpe h LEU 97 Cb 0.98 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1lpe h LEU 97 CO 0.08 1.22 -0.38 -0.61 -0.62 0.00 0.00 178.44 178.14 1lpe h GLN 98 N 0.14 0.20 -0.12 1.25 -0.00 -0.39 -1.98 115.11 114.21 1lpe h GLN 98 Ca -0.09 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.34 1lpe h GLN 98 Cb 1.71 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.17 1lpe h GLN 98 CO 0.17 0.55 -0.49 0.00 0.00 0.00 0.00 178.83 179.07 1lpe h ALA 99 N 1.44 0.94 0.00 3.38 0.00 -1.55 0.13 119.26 123.61 1lpe h ALA 99 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1lpe h ALA 99 Cb 0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1lpe h ALA 99 CO 0.06 0.66 -0.84 0.00 0.00 0.00 0.00 179.25 179.13 1lpe h ALA 100 N 1.23 0.60 -0.21 0.00 0.00 -1.32 0.29 119.26 119.84 1lpe h ALA 100 Ca 0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1lpe h ALA 100 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1lpe h ALA 100 CO 0.08 0.95 0.11 1.96 0.00 0.00 0.00 179.25 182.35 1lpe h GLN 101 N 0.06 0.30 -0.10 0.00 4.20 -0.96 -2.51 115.11 116.11 1lpe h GLN 101 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1lpe h GLN 101 Cb 1.46 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1lpe h GLN 101 CO 0.12 0.29 0.04 0.00 -0.67 0.00 0.00 178.83 178.61 1lpe h ALA 102 N 0.99 0.12 -0.45 3.87 0.00 -0.61 -1.21 119.26 121.98 1lpe h ALA 102 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1lpe h ALA 102 Cb 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1lpe h ALA 102 CO -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 179.25 178.74 1lpe h ARG 103 N 0.01 -0.10 -0.57 0.00 3.08 -0.48 -1.58 114.38 114.73 1lpe h ARG 103 Ca 0.03 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1lpe h ARG 103 Cb 0.16 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1lpe h ARG 103 CO -0.00 -0.07 0.38 1.25 -1.07 0.00 0.00 179.97 180.45 1lpe h LEU 104 N -0.11 0.66 -0.69 3.04 5.85 -1.25 -1.90 115.31 120.91 1lpe h LEU 104 Ca 0.22 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.96 1lpe h LEU 104 Cb 0.44 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1lpe h LEU 104 CO -0.52 0.48 0.41 1.23 -0.34 0.00 0.00 178.44 179.70 1lpe h GLY 105 N 0.77 1.00 2.00 3.75 0.00 -0.94 -2.75 103.07 106.90 1lpe h GLY 105 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1lpe h GLY 105 CO -0.04 0.23 -0.24 0.00 0.00 0.00 0.00 176.54 176.49 1lpe h ALA 106 N 1.32 1.54 0.03 3.60 0.00 -1.12 -1.31 119.26 123.31 1lpe h ALA 106 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lpe h ALA 106 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1lpe h ALA 106 CO -0.14 0.30 -0.01 -0.44 0.00 0.00 0.00 179.25 178.96 1lpe h ASP 107 N 0.00 -0.03 0.33 0.00 3.32 -1.06 -1.90 116.42 117.07 1lpe h ASP 107 Ca -0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1lpe h ASP 107 Cb 0.44 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1lpe h ASP 107 CO 0.03 0.26 -0.16 0.24 -1.72 0.00 0.00 179.24 177.89 1lpe h MET 108 N -0.32 -0.42 -0.92 3.56 2.86 -1.48 -1.60 114.93 116.60 1lpe h MET 108 Ca -0.00 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1lpe h MET 108 Cb 0.30 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 1lpe h MET 108 CO 0.01 -0.24 0.54 0.93 1.06 0.00 0.00 176.91 179.20 1lpe h GLU 109 N -0.50 0.79 -0.60 1.72 5.08 -1.32 -2.14 114.58 117.61 1lpe h GLU 109 Ca -0.04 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1lpe h GLU 109 Cb 0.37 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1lpe h GLU 109 CO 0.07 0.52 0.31 -0.44 -1.00 0.00 0.00 179.01 178.48 1lpe h ASP 110 N 0.81 0.45 0.24 1.42 3.32 -0.97 -1.60 116.42 120.10 1lpe h ASP 110 Ca 0.47 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1lpe h ASP 110 Cb 0.56 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1lpe h ASP 110 CO -0.30 0.29 -0.20 0.58 -1.72 0.00 0.00 179.24 177.89 1lpe h VAL 111 N 0.58 0.57 -0.94 -1.35 2.07 -1.01 -2.18 116.25 113.99 1lpe h VAL 111 Ca 0.27 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1lpe h VAL 111 Cb 0.19 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1lpe h VAL 111 CO -0.18 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.02 1lpe h GLY 113 N 1.19 0.00 1.69 0.00 0.00 -1.29 -1.25 103.07 103.42 1lpe h GLY 113 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.49 1lpe h GLY 113 CO -0.11 0.00 -0.89 -0.09 0.00 0.00 0.00 176.54 175.44 1lpe h ARG 114 N 0.00 0.28 0.00 4.80 9.65 -0.92 -1.94 114.38 126.24 1lpe h ARG 114 Ca -0.00 -0.30 -0.12 0.00 -1.10 0.00 0.00 59.98 58.46 1lpe h ARG 114 Cb 0.17 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1lpe h ARG 114 CO 0.01 1.00 -0.58 -0.07 2.80 0.00 0.00 179.97 183.13 1lpe h LEU 115 N 0.16 0.00 -0.34 3.80 3.38 -1.07 -1.70 115.31 119.53 1lpe h LEU 115 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1lpe h LEU 115 Cb 1.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1lpe h LEU 115 CO 0.14 0.58 -0.25 0.58 0.09 0.00 0.00 178.44 179.58 1lpe h VAL 116 N 0.00 1.29 -0.76 1.22 2.07 -1.21 -2.18 116.25 116.67 1lpe h VAL 116 Ca -0.01 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.16 1lpe h VAL 116 Cb 1.03 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1lpe h VAL 116 CO 0.08 0.46 0.46 -0.61 0.02 0.00 0.00 177.57 177.98 1lpe h GLN 117 N 0.55 0.83 -0.31 1.57 4.15 -1.28 -1.76 115.11 118.87 1lpe h GLN 117 Ca 0.07 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1lpe h GLN 117 Cb 0.82 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1lpe h GLN 117 CO 0.07 0.55 0.16 -0.92 -1.93 0.00 0.00 178.83 176.75 1lpe h TYR 118 N 0.85 0.44 -0.67 3.99 3.20 -1.14 -1.19 116.97 122.46 1lpe h TYR 118 Ca 0.33 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1lpe h TYR 118 Cb 0.14 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1lpe h TYR 118 CO -0.05 0.38 0.37 -0.09 -1.64 0.00 0.00 178.16 177.14 1lpe h ARG 119 N 0.37 0.66 -0.21 1.82 2.43 -1.04 -0.91 114.38 117.50 1lpe h ARG 119 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1lpe h ARG 119 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1lpe h ARG 119 CO -0.01 0.44 0.07 0.78 -1.51 0.00 0.00 179.97 179.73 1lpe h GLY 120 N 0.68 0.35 2.00 2.80 0.00 -1.27 -1.77 103.07 105.87 1lpe h GLY 120 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1lpe h GLY 120 CO -0.19 0.19 -0.07 0.83 0.00 0.00 0.00 176.54 177.31 1lpe h GLU 121 N 0.17 0.00 0.11 4.80 5.08 -0.71 -1.65 114.58 122.38 1lpe h GLU 121 Ca 0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.13 1lpe h GLU 121 Cb 0.22 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 1lpe h GLU 121 CO -0.00 0.07 -1.23 0.28 -1.00 0.00 0.00 179.01 177.13 1lpe h VAL 122 N 0.00 1.28 -0.96 3.13 2.07 -0.81 -3.21 116.25 117.74 1lpe h VAL 122 Ca -0.00 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 65.10 1lpe h VAL 122 Cb 0.19 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1lpe h VAL 122 CO 0.01 0.74 0.64 1.56 0.02 0.00 0.00 177.57 180.54 1lpe h GLN 123 N 0.30 1.25 0.00 1.57 1.08 -0.44 -3.01 115.11 115.86 1lpe h GLN 123 Ca -0.18 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1lpe h GLN 123 Cb 1.90 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 1lpe h GLN 123 CO 0.24 0.83 0.00 0.00 -0.95 0.00 0.00 178.83 178.94 1lpe n ALA 124 N -2.39 1.77 0.30 3.87 0.00 -0.79 -2.05 120.51 121.23 1lpe n ALA 124 Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1lpe n ALA 124 Cb 0.03 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.34 1lpe n ALA 124 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1lpe h MET 125 N 0.00 0.00 -6.04 0.00 2.86 -1.52 -3.48 114.93 106.74 1lpe h MET 125 Ca 0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 1lpe h MET 125 Cb 0.37 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.09 1lpe h MET 125 CO 0.00 0.00 -0.77 1.28 1.06 0.00 0.00 176.91 178.48 1lpe n LEU 126 N -2.90 -3.15 0.00 1.22 4.77 -0.87 -2.60 117.00 113.47 1lpe n LEU 126 Ca 0.04 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1lpe n LEU 126 Cb 0.51 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1lpe n LEU 126 CO 0.34 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1lpe n GLY 127 N -1.62 1.89 3.60 -0.72 0.00 -1.26 -5.07 105.19 102.01 1lpe n GLY 127 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1lpe n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lpe n GLN 128 N -2.00 -0.72 -1.68 1.61 6.02 -1.07 -4.92 117.38 114.62 1lpe n GLN 128 Ca 0.00 -0.15 -0.55 0.00 -0.01 0.00 0.00 57.00 56.29 1lpe n GLN 128 Cb 0.00 -2.27 -0.07 0.00 1.02 0.00 0.00 30.24 28.92 1lpe n GLN 128 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1lpe n SER 129 N -3.93 2.37 -1.29 1.08 2.88 -1.26 -4.89 113.62 108.58 1lpe n SER 129 Ca 0.10 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.81 1lpe n SER 129 Cb 0.53 -1.19 0.30 0.00 -0.75 0.00 0.00 64.21 63.10 1lpe n SER 129 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1lpe n THR 130 N 4.17 1.46 -0.13 2.46 -2.24 -1.26 -4.59 114.28 114.15 1lpe n THR 130 Ca 0.24 -1.15 -0.05 0.00 -2.27 0.00 0.00 64.05 60.82 1lpe n THR 130 Cb 0.17 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1lpe n THR 130 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1lpe h GLU 131 N 3.61 0.27 -0.28 -0.78 4.22 -1.99 -0.31 114.58 119.32 1lpe h GLU 131 Ca 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 1lpe h GLU 131 Cb 1.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1lpe h GLU 131 CO 0.12 0.18 -0.13 0.93 -2.18 0.00 0.00 179.01 177.93 1lpe h GLU 132 N 0.28 0.48 -0.51 1.92 5.08 -2.01 -1.92 114.58 117.91 1lpe h GLU 132 Ca 0.19 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1lpe h GLU 132 Cb 0.20 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1lpe h GLU 132 CO -0.21 0.61 0.14 -0.07 -1.00 0.00 0.00 179.01 178.47 1lpe h LEU 133 N 0.44 0.76 -1.31 1.33 3.38 -1.40 -2.86 115.31 115.64 1lpe h LEU 133 Ca 0.08 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1lpe h LEU 133 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1lpe h LEU 133 CO 0.03 0.78 -0.31 0.03 0.09 0.00 0.00 178.44 179.06 1lpe h ARG 134 N 0.70 0.00 -0.12 1.13 3.08 -1.00 -2.16 114.38 116.01 1lpe h ARG 134 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1lpe h ARG 134 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1lpe h ARG 134 CO -0.00 0.31 -0.02 0.28 -1.07 0.00 0.00 179.97 179.47 1lpe h VAL 135 N 0.00 1.27 -0.39 2.04 2.07 -1.14 -2.77 116.25 117.34 1lpe h VAL 135 Ca -0.00 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1lpe h VAL 135 Cb 0.66 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1lpe h VAL 135 CO 0.04 0.26 0.08 0.03 0.02 0.00 0.00 177.57 178.00 1lpe h ARG 136 N -0.07 0.58 -0.34 1.57 3.08 -1.51 -2.80 114.38 114.89 1lpe h ARG 136 Ca 0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1lpe h ARG 136 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1lpe h ARG 136 CO 0.01 0.55 0.09 1.25 -1.07 0.00 0.00 179.97 180.80 1lpe h LEU 137 N 0.57 0.51 -0.82 3.04 6.46 -1.35 -1.41 115.31 122.31 1lpe h LEU 137 Ca 0.13 -0.22 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1lpe h LEU 137 Cb 0.24 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1lpe h LEU 137 CO -0.00 0.60 -0.08 0.00 -0.62 0.00 0.00 178.44 178.33 1lpe h ALA 138 N 0.93 1.01 -0.26 1.25 0.00 -1.45 0.19 119.26 120.92 1lpe h ALA 138 Ca 0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1lpe h ALA 138 Cb 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1lpe h ALA 138 CO -0.00 0.60 -0.25 1.03 0.00 0.00 0.00 179.25 180.63 1lpe h SER 139 N 0.72 0.68 -0.26 0.00 0.87 -1.45 -2.78 113.55 111.34 1lpe h SER 139 Ca 0.13 -0.47 -0.20 0.00 -1.23 0.00 0.00 61.79 60.02 1lpe h SER 139 Cb 0.56 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1lpe h SER 139 CO 0.03 1.01 -0.60 -0.74 -0.53 0.00 0.00 176.83 176.00 1lpe h HIS 140 N 0.36 1.10 -0.81 2.24 6.17 -0.96 -3.09 115.15 120.16 1lpe h HIS 140 Ca 0.04 -0.42 -0.04 0.00 0.71 0.00 0.00 60.37 60.67 1lpe h HIS 140 Cb 0.81 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.51 1lpe h HIS 140 CO 0.07 1.25 0.35 1.25 0.71 0.00 0.00 177.93 181.56 1lpe h LEU 141 N 0.64 1.10 -0.42 0.26 5.85 -0.68 -2.79 115.31 119.26 1lpe h LEU 141 Ca -0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1lpe h LEU 141 Cb 1.22 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1lpe h LEU 141 CO 0.13 0.95 0.16 -0.09 -0.34 0.00 0.00 178.44 179.25 1lpe h ARG 142 N 1.17 0.32 -0.96 1.25 2.43 -1.48 -0.01 114.38 117.09 1lpe h ARG 142 Ca 0.27 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1lpe h ARG 142 Cb 0.18 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1lpe h ARG 142 CO -0.03 0.21 0.64 0.87 -1.51 0.00 0.00 179.97 180.15 1lpe h LYS 143 N 0.33 1.25 -0.50 0.20 1.57 -1.44 -0.47 116.57 117.50 1lpe h LYS 143 Ca 0.19 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1lpe h LYS 143 Cb 0.16 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1lpe h LYS 143 CO -0.18 0.82 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.39 1lpe h LEU 144 N 1.28 0.92 -1.28 2.94 3.38 -1.21 -0.54 115.31 120.81 1lpe h LEU 144 Ca 0.36 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1lpe h LEU 144 Cb -0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1lpe h LEU 144 CO -0.09 1.04 -0.32 0.03 0.09 0.00 0.00 178.44 179.20 1lpe h ARG 145 N 0.79 0.00 -0.08 1.13 3.08 -0.87 0.13 114.38 118.56 1lpe h ARG 145 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1lpe h ARG 145 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1lpe h ARG 145 CO 0.04 0.32 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.93 1lpe h LYS 146 N 0.00 0.21 -0.28 0.04 3.64 -0.67 -2.41 116.57 117.09 1lpe h LYS 146 Ca -0.00 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1lpe h LYS 146 Cb 0.68 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1lpe h LYS 146 CO 0.04 0.67 0.18 -0.09 -2.27 0.00 0.00 179.45 177.97 1lpe h ARG 147 N -0.23 0.35 -0.54 1.90 2.43 -1.06 -2.08 114.38 115.15 1lpe h ARG 147 Ca 0.01 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1lpe h ARG 147 Cb 0.64 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 1lpe h ARG 147 CO 0.02 0.23 0.15 1.25 -1.51 0.00 0.00 179.97 180.12 1lpe h LEU 148 N 0.36 0.09 -0.27 3.80 6.46 -0.75 -2.41 115.31 122.60 1lpe h LEU 148 Ca 0.10 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1lpe h LEU 148 Cb -0.03 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1lpe h LEU 148 CO -0.03 0.07 -0.00 0.25 -0.62 0.00 0.00 178.44 178.10 1lpe h LEU 149 N 0.30 0.46 -1.68 2.25 5.85 -1.22 -1.34 115.31 119.94 1lpe h LEU 149 Ca 0.27 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1lpe h LEU 149 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1lpe h LEU 149 CO -0.32 0.66 -0.17 0.08 -0.34 0.00 0.00 178.44 178.35 1lpe h ARG 150 N 0.25 0.00 0.00 1.25 0.11 -1.16 -1.50 114.38 113.33 1lpe h ARG 150 Ca 0.07 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.02 1lpe h ARG 150 Cb 0.43 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 1lpe h ARG 150 CO 0.01 0.17 -0.65 -0.44 0.10 0.00 0.00 179.97 179.17 1lpe h ASP 151 N 0.00 0.00 -0.23 0.08 3.32 -1.23 -1.50 116.42 116.86 1lpe h ASP 151 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1lpe h ASP 151 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1lpe h ASP 151 CO 0.02 0.65 -0.25 0.00 -1.72 0.00 0.00 179.24 177.95 1lpe h ALA 152 N 1.35 0.34 0.10 3.45 0.00 -0.82 -1.82 119.26 121.86 1lpe h ALA 152 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1lpe h ALA 152 Cb 1.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1lpe h ALA 152 CO 0.08 0.31 -0.07 0.22 0.00 0.00 0.00 179.25 179.80 1lpe h ASP 153 N 0.27 -0.18 -0.19 0.00 3.58 -1.34 -0.18 116.42 118.38 1lpe h ASP 153 Ca 0.03 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.55 1lpe h ASP 153 Cb 0.81 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.85 1lpe h ASP 153 CO 0.06 -0.11 -0.28 -0.78 -2.88 0.00 0.00 179.24 175.25 1lpe h ASP 154 N -0.17 -0.88 -0.97 2.28 3.58 -1.35 -2.21 116.42 116.70 1lpe h ASP 154 Ca -0.01 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.64 1lpe h ASP 154 Cb 0.15 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 1lpe h ASP 154 CO -0.00 -0.32 0.63 0.25 -2.88 0.00 0.00 179.24 176.93 1lpe h LEU 155 N -0.32 1.02 -1.58 2.28 5.85 -1.18 -1.01 115.31 120.37 1lpe h LEU 155 Ca 0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1lpe h LEU 155 Cb 0.50 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1lpe h LEU 155 CO -0.37 0.68 0.29 1.56 -0.34 0.00 0.00 178.44 180.25 1lpe h GLN 156 N 1.17 0.56 -0.07 1.25 4.20 -0.56 0.13 115.11 121.79 1lpe h GLN 156 Ca 0.41 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 1lpe h GLN 156 Cb 0.10 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1lpe h GLN 156 CO -0.14 0.37 -0.06 0.87 -0.67 0.00 0.00 178.83 179.20 1lpe h LYS 157 N 0.58 0.17 -0.41 1.46 1.57 -0.64 0.36 116.57 119.65 1lpe h LYS 157 Ca 0.16 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1lpe h LYS 157 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1lpe h LYS 157 CO -0.03 0.58 0.08 0.00 -0.57 0.00 0.00 179.45 179.51 1lpe h ARG 158 N -0.25 0.67 -0.83 3.15 3.08 -1.09 -0.54 114.38 118.56 1lpe h ARG 158 Ca 0.01 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1lpe h ARG 158 Cb 0.54 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1lpe h ARG 158 CO 0.01 0.70 0.50 -0.07 -1.07 0.00 0.00 179.97 180.05 1lpe h LEU 159 N 0.53 1.00 -1.12 3.04 3.38 -0.69 -1.01 115.31 120.44 1lpe h LEU 159 Ca 0.13 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1lpe h LEU 159 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1lpe h LEU 159 CO 0.00 0.77 -0.22 0.00 0.09 0.00 0.00 178.44 179.08 1lpe h ALA 160 N 1.27 1.26 -0.15 1.53 0.00 0.53 0.24 119.26 123.95 1lpe h ALA 160 Ca 0.30 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1lpe h ALA 160 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1lpe h ALA 160 CO -0.06 0.49 -0.61 0.28 0.00 0.00 0.00 179.25 179.35 1lpe h VAL 161 N 0.31 1.34 0.00 0.00 2.07 -0.93 -3.04 116.25 116.01 1lpe h VAL 161 Ca 0.05 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1lpe h VAL 161 Cb 0.57 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1lpe h VAL 161 CO 0.04 0.59 -0.33 0.22 0.02 0.00 0.00 177.57 178.10 1lpe h TYR 162 N 0.37 0.00 -1.20 1.57 5.03 -0.78 -3.08 116.97 118.89 1lpe h TYR 162 Ca -0.01 0.00 0.35 0.00 2.58 0.00 0.00 58.73 61.65 1lpe h TYR 162 Cb 1.17 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.40 1lpe h TYR 162 CO 0.05 0.33 0.86 0.37 -1.32 0.00 0.00 178.16 178.45 1lpe h GLN 163 N 0.00 0.00 -0.00 1.82 4.15 -0.41 -0.74 115.11 119.93 1lpe h GLN 163 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1lpe h GLN 163 Cb 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1lpe h GLN 163 CO 0.04 0.00 -0.07 0.00 -1.93 0.00 0.00 178.83 176.87 1lpe n ALA 164 N -2.77 2.48 0.00 3.38 0.00 -1.24 -4.87 120.51 117.50 1lpe n ALA 164 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1lpe n ALA 164 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.57 1lpe n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lpe n GLY 165 N 0.59 1.93 0.00 0.00 0.00 -0.28 -0.75 105.19 106.67 1lpe n GLY 165 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1lpe n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32