#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbt n LYS 3 N 0.00 0.55 -4.89 5.31 0.00 -1.24 -5.02 118.16 112.88 1pbt n LYS 3 Ca 0.00 -1.51 -0.32 0.00 -0.00 0.00 0.00 58.31 56.48 1pbt n LYS 3 Cb 0.00 1.64 -0.13 0.00 -0.00 0.00 0.00 35.03 36.54 1pbt n LYS 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1pbt s THR 4 N -2.56 2.90 -0.04 0.58 2.01 -1.26 -2.20 115.64 115.07 1pbt s THR 4 Ca 0.13 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1pbt s THR 4 Cb -0.02 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1pbt s THR 4 CO 0.10 0.53 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.71 1pbt s VAL 5 N -0.76 1.30 -0.12 3.82 1.01 -0.15 -4.98 120.40 120.52 1pbt s VAL 5 Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1pbt s VAL 5 Cb -0.11 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1pbt s VAL 5 CO 0.01 0.38 -0.21 -0.63 0.00 0.00 0.00 175.10 174.66 1pbt s ILE 6 N 0.04 1.89 -0.20 2.22 1.01 -1.26 -0.34 121.20 124.56 1pbt s ILE 6 Ca -0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 1pbt s ILE 6 Cb -0.11 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1pbt s ILE 6 CO 0.02 0.52 0.02 -0.31 0.00 0.00 0.00 174.94 175.18 1pbt s TYR 7 N 0.71 3.08 -0.38 3.97 2.02 0.56 -4.96 117.35 122.35 1pbt s TYR 7 Ca -0.11 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 1pbt s TYR 7 Cb -0.16 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1pbt s TYR 7 CO 0.01 -0.14 0.20 -0.51 -1.57 0.00 0.00 175.55 173.54 1pbt s LEU 8 N 0.85 4.78 -0.14 -1.29 1.43 -1.26 0.20 118.68 123.25 1pbt s LEU 8 Ca 0.01 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.85 1pbt s LEU 8 Cb -0.14 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1pbt s LEU 8 CO 0.02 -0.43 -0.01 -0.76 0.23 0.00 0.00 176.35 175.40 1pbt s LEU 9 N 1.47 3.41 -0.10 1.79 1.43 0.46 -4.94 118.68 122.19 1pbt s LEU 9 Ca 0.01 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1pbt s LEU 9 Cb -0.21 -1.82 -0.24 0.00 0.03 0.00 0.00 46.19 43.96 1pbt s LEU 9 CO 0.04 0.22 0.43 -0.62 0.23 0.00 0.00 176.35 176.64 1pbt n GLU 10 N 3.23 0.67 -4.11 1.70 -0.58 -1.26 -2.59 120.64 117.70 1pbt n GLU 10 Ca -0.17 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.69 1pbt n GLU 10 Cb 0.53 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1pbt n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pbt s ASP 11 N -6.21 0.21 -1.62 1.62 1.11 -1.26 -4.92 116.67 105.60 1pbt s ASP 11 Ca -0.12 -1.16 -0.12 0.00 0.18 0.00 0.00 52.55 51.33 1pbt s ASP 11 Cb 0.07 0.35 0.11 0.00 1.07 0.00 0.00 42.92 44.52 1pbt s ASP 11 CO 0.80 -0.80 0.64 0.61 1.18 0.00 0.00 175.17 177.60 1pbt n GLY 12 N -0.16 -0.36 0.41 0.21 0.00 -1.26 -4.90 105.19 99.12 1pbt n GLY 12 Ca -0.04 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1pbt n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pbt h TYR 13 N -1.60 -1.22 -0.01 1.61 3.20 -1.93 -1.29 116.97 115.73 1pbt h TYR 13 Ca -0.61 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.32 1pbt h TYR 13 Cb 1.38 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 40.11 1pbt h TYR 13 CO 0.59 -0.52 -0.23 0.28 -1.64 0.00 0.00 178.16 176.64 1pbt h VAL 14 N -0.72 0.47 -0.97 1.81 2.07 -1.99 -0.96 116.25 115.97 1pbt h VAL 14 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1pbt h VAL 14 Cb 0.67 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1pbt h VAL 14 CO -0.15 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.49 1pbt h ASP 15 N -0.36 0.95 0.04 0.57 3.32 -1.95 0.23 116.42 119.23 1pbt h ASP 15 Ca 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pbt h ASP 15 Cb 0.44 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1pbt h ASP 15 CO -0.21 0.58 -0.02 0.15 -1.72 0.00 0.00 179.24 178.02 1pbt h PHE 16 N 1.07 -0.05 -0.40 4.55 3.57 -0.70 -1.27 116.94 123.71 1pbt h PHE 16 Ca 0.44 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.95 1pbt h PHE 16 Cb 0.26 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1pbt h PHE 16 CO -0.01 0.06 0.24 0.28 -2.23 0.00 0.00 178.31 176.65 1pbt h VAL 17 N -0.15 1.05 -0.47 1.41 2.07 -0.69 -1.43 116.25 118.04 1pbt h VAL 17 Ca -0.01 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1pbt h VAL 17 Cb 0.14 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1pbt h VAL 17 CO 0.01 0.09 0.21 0.58 0.02 0.00 0.00 177.57 178.48 1pbt h VAL 18 N 0.48 0.92 -0.79 2.57 2.07 -0.84 0.11 116.25 120.78 1pbt h VAL 18 Ca 0.16 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1pbt h VAL 18 Cb -0.00 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1pbt h VAL 18 CO -0.07 0.08 0.39 -0.08 0.02 0.00 0.00 177.57 177.91 1pbt h GLU 19 N 0.42 1.12 -0.26 1.57 4.57 -0.86 0.31 114.58 121.45 1pbt h GLU 19 Ca 0.21 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1pbt h GLU 19 Cb 0.15 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1pbt h GLU 19 CO -0.17 0.86 0.02 0.87 -1.18 0.00 0.00 179.01 179.40 1pbt h LYS 20 N 1.12 0.45 -0.64 1.92 1.79 -0.39 -0.93 116.57 119.89 1pbt h LYS 20 Ca 0.27 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1pbt h LYS 20 Cb 0.10 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1pbt h LYS 20 CO -0.04 0.60 0.06 0.82 -1.08 0.00 0.00 179.45 179.81 1pbt h ILE 21 N 0.25 1.26 -0.18 1.86 2.04 -0.77 -1.95 117.51 120.03 1pbt h ILE 21 Ca 0.08 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1pbt h ILE 21 Cb 0.38 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1pbt h ILE 21 CO 0.01 0.41 0.09 -0.09 0.00 0.00 0.00 178.15 178.57 1pbt h ARG 22 N 1.01 0.19 -0.70 2.37 2.43 -0.19 -2.74 114.38 116.75 1pbt h ARG 22 Ca 0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1pbt h ARG 22 Cb 0.50 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1pbt h ARG 22 CO 0.02 0.12 0.41 1.15 -1.51 0.00 0.00 179.97 180.17 1pbt h THR 23 N 0.19 1.21 0.00 0.20 2.02 -1.03 -1.12 112.91 114.38 1pbt h THR 23 Ca 0.07 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1pbt h THR 23 Cb 0.01 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1pbt h THR 23 CO -0.04 0.22 0.00 1.17 0.37 0.00 0.00 175.52 177.23 1pbt n LYS 24 N -4.53 0.20 0.00 6.66 3.00 -0.74 -1.19 118.16 121.56 1pbt n LYS 24 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1pbt n LYS 24 Cb 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1pbt n LYS 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1pbt n GLU 26 N 0.54 0.00 -0.16 1.64 -0.58 -0.43 -0.81 120.64 120.84 1pbt n GLU 26 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1pbt n GLU 26 Cb 0.06 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.94 1pbt n GLU 26 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1pbt h LYS 27 N 0.00 0.66 -0.74 3.49 1.57 -1.41 -2.23 116.57 117.92 1pbt h LYS 27 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1pbt h LYS 27 Cb 0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1pbt h LYS 27 CO 0.00 0.53 0.43 -0.07 -0.57 0.00 0.00 179.45 179.77 1pbt h LEU 28 N 0.62 0.89 -1.70 2.94 3.38 -1.23 -2.06 115.31 118.15 1pbt h LEU 28 Ca 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pbt h LEU 28 Cb 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1pbt h LEU 28 CO -0.02 0.70 -0.01 -0.07 0.09 0.00 0.00 178.44 179.13 1pbt h LEU 29 N 1.01 0.00 0.00 1.67 3.38 -1.71 -0.65 115.31 119.00 1pbt h LEU 29 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1pbt h LEU 29 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1pbt h LEU 29 CO -0.05 0.01 -0.20 -0.33 0.09 0.00 0.00 178.44 177.96 1pbt h GLU 30 N 0.00 0.00 0.01 1.13 5.08 -0.77 -3.34 114.58 116.68 1pbt h GLU 30 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1pbt h GLU 30 Cb 0.44 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1pbt h GLU 30 CO 0.00 0.08 -2.10 0.39 -1.00 0.00 0.00 179.01 176.38 1pbt n GLU 31 N -3.07 0.67 -4.10 2.33 1.02 -0.54 -5.01 120.64 111.94 1pbt n GLU 31 Ca 0.03 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 1pbt n GLU 31 Cb 0.57 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.24 1pbt n GLU 31 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pbt s LYS 32 N -2.54 0.64 0.11 3.49 1.02 -0.37 -5.06 119.74 117.04 1pbt s LYS 32 Ca -0.10 -1.06 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 1pbt s LYS 32 Cb 0.07 -0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.18 1pbt s LYS 32 CO 0.81 -0.02 1.43 0.22 -0.92 0.00 0.00 175.35 176.87 1pbt h ASP 33 N 3.65 0.80 -4.28 2.83 3.58 -1.87 -3.40 116.42 117.72 1pbt h ASP 33 Ca -0.35 -0.47 -0.59 0.00 0.42 0.00 0.00 57.03 56.04 1pbt h ASP 33 Cb 1.18 -0.23 -0.26 0.00 1.72 0.00 0.00 39.33 41.74 1pbt h ASP 33 CO 0.55 1.11 -0.84 -0.54 -2.88 0.00 0.00 179.24 176.64 1pbt s LYS 34 N -4.35 1.41 0.08 0.28 1.02 -1.26 -4.78 119.74 112.14 1pbt s LYS 34 Ca -0.12 -0.95 0.08 0.00 0.02 0.00 0.00 55.97 54.99 1pbt s LYS 34 Cb 0.09 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1pbt s LYS 34 CO 0.84 0.39 -0.20 0.96 -0.92 0.00 0.00 175.35 176.42 1pbt s ILE 35 N -0.80 1.63 -0.14 2.17 -4.36 -0.56 -5.04 121.20 114.09 1pbt s ILE 35 Ca 0.08 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 1pbt s ILE 35 Cb -0.09 -1.46 0.01 0.00 1.25 0.00 0.00 42.46 42.17 1pbt s ILE 35 CO 0.02 0.01 -0.20 -0.36 0.24 0.00 0.00 174.94 174.65 1pbt s PHE 36 N -1.04 2.55 -0.08 1.37 0.08 -1.26 -0.83 117.98 118.77 1pbt s PHE 36 Ca 0.06 -1.32 0.04 0.00 0.12 0.00 0.00 56.93 55.82 1pbt s PHE 36 Cb -0.09 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1pbt s PHE 36 CO 0.03 -0.63 -0.19 0.08 -0.10 0.00 0.00 175.22 174.42 1pbt s VAL 37 N 0.95 1.66 -0.08 -0.44 1.01 0.68 -0.80 120.40 123.38 1pbt s VAL 37 Ca -0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1pbt s VAL 37 Cb -0.15 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1pbt s VAL 37 CO -0.04 0.47 0.31 -0.69 0.00 0.00 0.00 175.10 175.15 1pbt s VAL 38 N 0.39 5.23 -0.08 2.92 1.01 0.70 -0.86 120.40 129.70 1pbt s VAL 38 Ca -0.15 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1pbt s VAL 38 Cb -0.16 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1pbt s VAL 38 CO 0.06 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.75 1pbt s LEU 39 N -0.58 1.86 0.37 3.92 1.43 0.12 -0.32 118.68 125.48 1pbt s LEU 39 Ca 0.20 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1pbt s LEU 39 Cb -0.14 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1pbt s LEU 39 CO 0.08 0.09 0.60 0.00 0.23 0.00 0.00 176.35 177.36 1pbt s ALA 40 N 0.51 3.62 0.45 4.21 0.00 -0.25 -0.73 121.76 129.58 1pbt s ALA 40 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1pbt s ALA 40 Cb -0.17 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1pbt s ALA 40 CO 0.06 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1pbt n GLY 41 N -1.75 1.11 0.00 0.00 0.00 -1.26 -4.82 105.19 98.46 1pbt n GLY 41 Ca -0.03 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1pbt n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pbt n GLY 42 N 5.00 2.23 0.26 -0.02 0.00 -1.26 -4.51 105.19 106.90 1pbt n GLY 42 Ca 0.00 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1pbt n GLY 42 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pbt h ARG 43 N 0.00 0.00 0.20 1.61 3.08 -2.01 -2.90 114.38 114.37 1pbt h ARG 43 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1pbt h ARG 43 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1pbt h ARG 43 CO 0.00 0.12 -1.66 1.15 -1.07 0.00 0.00 179.97 178.51 1pbt h THR 44 N 0.00 1.03 -0.03 2.04 2.02 -1.90 -3.38 112.91 112.68 1pbt h THR 44 Ca -0.00 -2.55 -0.18 0.00 0.77 0.00 0.00 66.41 64.45 1pbt h THR 44 Cb 0.34 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1pbt h THR 44 CO 0.01 0.84 -0.76 -0.65 0.37 0.00 0.00 175.52 175.33 1pbt h PRO 45 N 0.09 0.24 -0.49 6.66 0.11 -1.78 -3.36 132.00 133.46 1pbt h PRO 45 Ca -0.32 -0.21 0.10 0.00 0.11 0.00 0.00 66.00 65.68 1pbt h PRO 45 Cb 2.09 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 33.15 1pbt h PRO 45 CO 0.20 0.89 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.61 1pbt h LEU 46 N 0.15 -0.68 -1.42 2.35 3.38 -1.69 -1.19 115.31 116.22 1pbt h LEU 46 Ca -0.03 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1pbt h LEU 46 Cb 1.34 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 1pbt h LEU 46 CO 0.12 -0.23 0.45 -0.65 0.09 0.00 0.00 178.44 178.23 1pbt h PRO 47 N -0.08 0.69 -0.44 1.13 0.11 -1.77 -0.37 132.00 131.27 1pbt h PRO 47 Ca 0.23 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1pbt h PRO 47 Cb 0.45 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1pbt h PRO 47 CO -0.55 0.46 -0.06 0.28 -0.21 0.00 0.00 178.00 177.92 1pbt h VAL 48 N 0.71 1.27 -0.54 3.15 2.07 -1.43 -2.76 116.25 118.72 1pbt h VAL 48 Ca 0.30 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1pbt h VAL 48 Cb 0.25 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1pbt h VAL 48 CO -0.09 0.39 0.05 1.88 0.02 0.00 0.00 177.57 179.81 1pbt h TYR 49 N 0.64 0.94 -0.77 1.57 0.05 -0.25 -0.84 116.97 118.31 1pbt h TYR 49 Ca 0.12 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 58.87 1pbt h TYR 49 Cb 0.58 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.99 1pbt h TYR 49 CO 0.04 0.83 0.41 1.49 -1.05 0.00 0.00 178.16 179.89 1pbt h GLU 50 N 0.83 0.67 -0.00 4.88 4.81 -0.90 0.67 114.58 125.52 1pbt h GLU 50 Ca 0.16 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.10 1pbt h GLU 50 Cb 0.43 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.68 1pbt h GLU 50 CO 0.02 0.44 -1.01 0.87 -0.73 0.00 0.00 179.01 178.60 1pbt h LYS 51 N 0.69 0.69 -0.48 1.92 1.79 -1.20 -3.23 116.57 116.75 1pbt h LYS 51 Ca 0.38 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1pbt h LYS 51 Cb 0.39 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1pbt h LYS 51 CO -0.27 1.32 0.32 -0.07 -1.08 0.00 0.00 179.45 179.66 1pbt h LEU 52 N 0.37 0.55 -2.32 2.94 3.38 -0.40 -1.23 115.31 118.59 1pbt h LEU 52 Ca -0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1pbt h LEU 52 Cb 1.67 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1pbt h LEU 52 CO 0.20 0.40 -0.04 0.00 0.09 0.00 0.00 178.44 179.09 1pbt h ALA 53 N 1.70 1.16 0.00 1.53 0.00 -0.91 -2.03 119.26 120.71 1pbt h ALA 53 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pbt h ALA 53 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pbt h ALA 53 CO -0.04 0.05 -0.28 0.93 0.00 0.00 0.00 179.25 179.91 1pbt h GLU 54 N 0.00 0.00 -7.01 0.00 5.08 -1.31 -3.39 114.58 107.94 1pbt h GLU 54 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1pbt h GLU 54 Cb 0.19 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.50 1pbt h GLU 54 CO 0.00 0.00 0.46 -0.65 -1.00 0.00 0.00 179.01 177.82 1pbt s GLN 55 N -3.15 3.79 -0.97 2.33 -1.52 -0.77 -4.96 119.66 114.42 1pbt s GLN 55 Ca 0.08 1.68 -0.22 0.00 -1.95 0.00 0.00 55.36 54.95 1pbt s GLN 55 Cb 0.12 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.62 1pbt s GLN 55 CO 0.66 -0.50 1.33 0.15 -0.25 0.00 0.00 175.29 176.67 1pbt s LYS 56 N -2.77 3.57 0.23 2.91 -0.14 -1.26 -4.96 119.74 117.33 1pbt s LYS 56 Ca 0.64 -1.31 0.10 0.00 -1.36 0.00 0.00 55.97 54.04 1pbt s LYS 56 Cb -0.26 -5.15 -0.04 0.00 -1.68 0.00 0.00 37.83 30.69 1pbt s LYS 56 CO 0.31 -2.05 -0.11 -0.06 -0.76 0.00 0.00 175.35 172.68 1pbt s PHE 57 N 4.20 2.52 -1.29 3.18 0.08 -1.26 -5.03 117.98 120.37 1pbt s PHE 57 Ca 0.41 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 1pbt s PHE 57 Cb -0.02 -1.16 0.12 0.00 -0.57 0.00 0.00 43.02 41.38 1pbt s PHE 57 CO -0.09 0.60 1.73 -0.35 -0.10 0.00 0.00 175.22 177.00 1pbt n PRO 58 N -0.38 3.28 -0.32 0.24 -0.04 -1.26 -4.84 135.00 131.68 1pbt n PRO 58 Ca -0.08 -3.42 0.36 0.00 -0.04 0.00 0.00 63.50 60.31 1pbt n PRO 58 Cb 0.58 -3.22 0.72 0.00 -0.04 0.00 0.00 33.50 31.54 1pbt n PRO 58 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pbt h TRP 59 N 6.90 0.00 0.00 0.54 4.06 -1.93 0.17 115.95 125.68 1pbt h TRP 59 Ca 0.41 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.36 1pbt h TRP 59 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1pbt h TRP 59 CO 1.29 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 176.44 1pbt n ASN 60 N -3.93 0.20 -0.89 -3.49 6.94 -1.26 -2.33 115.26 110.50 1pbt n ASN 60 Ca 0.26 0.54 0.11 0.00 -0.02 0.00 0.00 54.58 55.47 1pbt n ASN 60 Cb 1.34 -0.59 0.10 0.00 -2.36 0.00 0.00 39.78 38.28 1pbt n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1pbt n ARG 61 N -1.71 2.06 -4.55 -3.83 1.74 0.58 -4.90 116.66 106.05 1pbt n ARG 61 Ca 0.04 -1.85 -0.33 0.00 -0.77 0.00 0.00 57.85 54.94 1pbt n ARG 61 Cb 0.23 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.09 1pbt n ARG 61 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pbt s ILE 62 N -1.76 2.85 -0.09 0.55 1.01 -0.98 -1.50 121.20 121.27 1pbt s ILE 62 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1pbt s ILE 62 Cb 0.18 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1pbt s ILE 62 CO 0.27 0.51 -0.09 -1.00 0.00 0.00 0.00 174.94 174.63 1pbt s HIS 63 N 0.73 2.87 0.01 3.97 3.76 -0.01 -4.87 115.29 121.74 1pbt s HIS 63 Ca -0.06 -0.23 0.06 0.00 -0.15 0.00 0.00 55.06 54.68 1pbt s HIS 63 Cb -0.15 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1pbt s HIS 63 CO 0.01 0.11 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.80 1pbt s PHE 64 N -0.31 2.64 -0.03 1.40 0.08 0.01 -0.23 117.98 121.54 1pbt s PHE 64 Ca 0.04 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1pbt s PHE 64 Cb -0.13 -1.53 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1pbt s PHE 64 CO 0.02 0.24 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.25 1pbt s PHE 65 N -0.87 0.82 0.34 0.36 0.08 -0.04 -1.13 117.98 117.53 1pbt s PHE 65 Ca 0.14 -0.21 -0.27 0.00 0.12 0.00 0.00 56.93 56.71 1pbt s PHE 65 Cb -0.11 -0.63 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 1pbt s PHE 65 CO 0.04 -0.12 1.04 -0.51 -0.10 0.00 0.00 175.22 175.57 1pbt s LEU 66 N 0.42 4.35 0.36 -0.37 1.02 -1.09 0.13 118.68 123.49 1pbt s LEU 66 Ca -0.06 2.09 0.19 0.00 0.02 0.00 0.00 54.13 56.36 1pbt s LEU 66 Cb -0.10 -3.92 0.52 0.00 0.02 0.00 0.00 46.19 42.71 1pbt s LEU 66 CO 0.00 -0.27 1.65 0.77 0.02 0.00 0.00 176.35 178.53 1pbt h SER 67 N 3.17 0.00 -5.25 2.29 4.64 -1.28 -3.45 113.55 113.68 1pbt h SER 67 Ca -0.47 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.10 1pbt h SER 67 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 1pbt h SER 67 CO 0.65 0.38 0.69 1.51 -0.87 0.00 0.00 176.83 179.19 1pbt s ASP 68 N -6.38 -0.14 -0.05 4.97 -4.77 -1.26 -1.12 116.67 107.91 1pbt s ASP 68 Ca 0.02 -0.17 -0.08 0.00 -3.30 0.00 0.00 52.55 49.02 1pbt s ASP 68 Cb 0.10 0.27 0.02 0.00 -1.09 0.00 0.00 42.92 42.22 1pbt s ASP 68 CO 0.69 -0.49 0.20 -0.70 0.70 0.00 0.00 175.17 175.57 1pbt s GLU 69 N -2.74 0.34 0.09 2.11 2.56 0.33 -4.82 118.70 116.57 1pbt s GLU 69 Ca 0.12 0.07 -0.30 0.00 0.00 0.00 0.00 54.97 54.86 1pbt s GLU 69 Cb 0.01 0.15 -0.05 0.00 2.00 0.00 0.00 34.13 36.25 1pbt s GLU 69 CO -0.03 -0.06 0.95 1.03 -0.56 0.00 0.00 175.26 176.59 1pbt s ARG 70 N -0.39 4.66 -1.20 4.30 3.00 -1.26 -1.15 118.95 126.90 1pbt s ARG 70 Ca -0.05 1.42 -0.19 0.00 0.00 0.00 0.00 55.73 56.91 1pbt s ARG 70 Cb -0.03 -3.39 -0.02 0.00 0.00 0.00 0.00 34.95 31.51 1pbt s ARG 70 CO 0.01 0.18 1.93 0.98 0.00 0.00 0.00 175.30 178.40 1pbt n TYR 71 N 2.95 3.38 -4.11 -0.53 9.36 0.07 -4.80 117.16 123.48 1pbt n TYR 71 Ca 0.02 -2.32 -0.10 0.00 3.32 0.00 0.00 57.90 58.82 1pbt n TYR 71 Cb 0.49 -2.44 -0.09 0.00 -0.63 0.00 0.00 39.34 36.68 1pbt n TYR 71 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1pbt s VAL 72 N 5.90 0.05 0.39 2.97 -7.23 -1.26 -4.73 120.40 116.49 1pbt s VAL 72 Ca 0.57 -1.79 -0.25 0.00 -1.81 0.00 0.00 61.98 58.69 1pbt s VAL 72 Cb 0.07 -2.16 -0.11 0.00 0.56 0.00 0.00 36.38 34.73 1pbt s VAL 72 CO 0.06 -0.24 1.06 -2.65 -0.31 0.00 0.00 175.10 173.02 1pbt n PRO 73 N -0.20 1.49 0.00 4.82 -0.02 -1.26 -4.80 135.00 135.02 1pbt n PRO 73 Ca -0.03 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1pbt n PRO 73 Cb 0.64 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.27 1pbt n PRO 73 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pbt n LEU 74 N 0.66 0.00 -1.01 2.45 4.77 -1.26 -1.36 117.00 121.24 1pbt n LEU 74 Ca 0.09 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.62 1pbt n LEU 74 Cb 0.37 -0.47 0.24 0.00 -2.33 0.00 0.00 43.42 41.24 1pbt n LEU 74 CO 0.58 -0.32 0.71 -0.90 -1.33 0.00 0.00 177.39 176.13 1pbt n ASP 75 N -1.47 3.63 -4.78 -1.43 5.68 -1.26 -3.91 116.55 113.01 1pbt n ASP 75 Ca 0.03 -2.21 -0.37 0.00 -0.50 0.00 0.00 54.79 51.73 1pbt n ASP 75 Cb 0.11 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 1pbt n ASP 75 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1pbt s SER 76 N -1.10 7.35 0.00 -1.12 0.15 -0.46 -4.92 113.70 113.60 1pbt s SER 76 Ca 0.37 1.88 0.09 0.00 0.70 0.00 0.00 55.95 58.98 1pbt s SER 76 Cb 0.22 -2.59 0.41 0.00 -1.71 0.00 0.00 66.02 62.36 1pbt s SER 76 CO 0.21 -0.06 1.26 -0.90 1.20 0.00 0.00 173.24 174.94 1pbt n ASP 77 N 0.67 0.00 -0.86 5.45 5.75 -1.26 -0.83 116.55 125.47 1pbt n ASP 77 Ca 0.01 0.40 0.12 0.00 -0.01 0.00 0.00 54.79 55.31 1pbt n ASP 77 Cb 0.49 -0.44 0.28 0.00 -1.03 0.00 0.00 41.12 40.43 1pbt n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pbt n GLN 78 N -1.44 2.14 -3.15 0.11 6.02 -1.26 -4.89 117.38 114.91 1pbt n GLN 78 Ca 0.03 -1.70 -0.39 0.00 -0.01 0.00 0.00 57.00 54.92 1pbt n GLN 78 Cb 0.10 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 1pbt n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pbt s SER 79 N -1.63 6.80 0.25 1.08 0.15 -0.01 -4.59 113.70 115.74 1pbt s SER 79 Ca 0.35 0.96 -0.03 0.00 0.70 0.00 0.00 55.95 57.92 1pbt s SER 79 Cb 0.20 -2.35 0.30 0.00 -1.71 0.00 0.00 66.02 62.46 1pbt s SER 79 CO 0.30 -0.14 1.77 0.78 1.20 0.00 0.00 173.24 177.15 1pbt h ASN 80 N 7.00 0.85 -0.23 5.45 2.35 -1.88 -2.57 115.58 126.55 1pbt h ASN 80 Ca -0.38 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1pbt h ASN 80 Cb 1.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1pbt h ASN 80 CO 0.76 0.85 0.15 0.15 -1.65 0.00 0.00 177.43 177.70 1pbt h PHE 81 N 0.85 0.29 -0.23 1.19 3.57 -1.89 -0.54 116.94 120.18 1pbt h PHE 81 Ca 0.18 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1pbt h PHE 81 Cb 0.37 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1pbt h PHE 81 CO 0.02 0.18 0.01 -0.09 -2.23 0.00 0.00 178.31 176.20 1pbt h ARG 82 N 0.31 0.08 -0.49 1.11 2.43 -1.61 0.15 114.38 116.36 1pbt h ARG 82 Ca 0.08 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1pbt h ARG 82 Cb -0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1pbt h ARG 82 CO -0.02 0.05 0.22 -0.91 -1.51 0.00 0.00 179.97 177.80 1pbt h ASN 83 N 0.08 0.66 0.36 -3.80 2.35 -1.26 -0.71 115.58 113.25 1pbt h ASN 83 Ca 0.11 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1pbt h ASN 83 Cb 0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1pbt h ASN 83 CO -0.17 0.62 -0.60 0.40 -1.65 0.00 0.00 177.43 176.03 1pbt h ILE 84 N 0.64 1.39 -0.60 2.81 2.04 -0.96 -2.79 117.51 120.05 1pbt h ILE 84 Ca 0.17 -1.98 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 1pbt h ILE 84 Cb 0.16 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1pbt h ILE 84 CO -0.02 0.59 0.14 -1.13 0.00 0.00 0.00 178.15 177.72 1pbt h ASN 85 N 0.18 0.88 -0.70 1.72 -1.24 -0.42 0.24 115.58 116.24 1pbt h ASN 85 Ca -0.01 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 1pbt h ASN 85 Cb 1.11 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.90 1pbt h ASN 85 CO 0.09 0.86 0.21 -0.33 -1.29 0.00 0.00 177.43 176.98 1pbt h GLU 86 N 0.89 1.09 0.00 6.67 5.08 -0.90 0.18 114.58 127.60 1pbt h GLU 86 Ca 0.19 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pbt h GLU 86 Cb 0.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1pbt h GLU 86 CO 0.00 0.94 -1.27 1.33 -1.00 0.00 0.00 179.01 179.01 1pbt n VAL 87 N -4.30 0.25 0.09 3.13 0.24 -1.07 -4.66 118.33 112.01 1pbt n VAL 87 Ca 0.05 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1pbt n VAL 87 Cb 0.23 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 1pbt n VAL 87 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1pbt n LEU 88 N -2.23 0.20 0.08 1.34 7.94 0.80 -4.01 117.00 121.12 1pbt n LEU 88 Ca -0.00 0.29 0.09 0.00 -1.11 0.00 0.00 56.01 55.27 1pbt n LEU 88 Cb 0.50 0.12 0.55 0.00 0.53 0.00 0.00 43.42 45.12 1pbt n LEU 88 CO 0.42 -0.72 1.13 -0.26 -1.11 0.00 0.00 177.39 176.85 1pbt h PHE 89 N 0.00 0.25 -0.02 1.96 0.04 -1.46 0.19 116.94 117.89 1pbt h PHE 89 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1pbt h PHE 89 Cb 0.00 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1pbt h PHE 89 CO 0.00 0.14 -0.25 -1.13 -0.60 0.00 0.00 178.31 176.48 1pbt n SER 90 N -4.49 2.35 -0.12 2.17 3.41 0.05 -4.45 113.62 112.55 1pbt n SER 90 Ca 0.03 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.72 1pbt n SER 90 Cb 0.18 0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1pbt n SER 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pbt n ARG 91 N 0.52 0.51 -2.93 4.33 1.74 -0.71 -4.94 116.66 115.18 1pbt n ARG 91 Ca 0.12 0.21 -0.38 0.00 -0.77 0.00 0.00 57.85 57.02 1pbt n ARG 91 Cb 0.51 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1pbt n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pbt s ALA 92 N -2.43 3.37 -1.43 7.54 0.00 0.57 -4.94 121.76 124.43 1pbt s ALA 92 Ca -0.33 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1pbt s ALA 92 Cb 0.12 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1pbt s ALA 92 CO 0.43 0.26 2.26 1.63 0.00 0.00 0.00 175.76 180.34 1pbt n LYS 93 N 1.10 3.29 -3.09 0.00 5.02 -1.26 -4.73 118.16 118.49 1pbt n LYS 93 Ca -0.02 -2.84 -0.40 0.00 -2.02 0.00 0.00 58.31 53.03 1pbt n LYS 93 Cb 0.49 -3.08 -0.05 0.00 -0.02 0.00 0.00 35.03 32.37 1pbt n LYS 93 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pbt s ILE 94 N 2.04 5.05 0.24 -0.18 1.01 -1.26 -4.71 121.20 123.38 1pbt s ILE 94 Ca 0.49 1.32 -0.31 0.00 0.00 0.00 0.00 60.65 62.15 1pbt s ILE 94 Cb 0.14 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 1pbt s ILE 94 CO -0.06 0.21 1.42 -2.65 0.00 0.00 0.00 174.94 173.86 1pbt n PRO 95 N 4.17 2.05 -0.32 2.79 -0.02 -1.26 -4.87 135.00 137.54 1pbt n PRO 95 Ca -0.02 0.73 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 1pbt n PRO 95 Cb 0.51 -2.40 0.33 0.00 -0.02 0.00 0.00 33.50 31.92 1pbt n PRO 95 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pbt h SER 96 N 4.32 0.44 0.41 2.55 0.87 -1.95 0.93 113.55 121.12 1pbt h SER 96 Ca -0.45 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1pbt h SER 96 Cb 1.27 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1pbt h SER 96 CO 0.76 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.71 1pbt n GLY 97 N -1.33 -0.97 0.36 5.77 0.00 -1.26 -1.96 105.19 105.79 1pbt n GLY 97 Ca 0.23 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1pbt n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pbt n ASN 98 N -1.84 1.29 -4.34 1.61 4.13 0.32 -4.83 115.26 111.61 1pbt n ASN 98 Ca 0.02 -1.15 -0.34 0.00 1.68 0.00 0.00 54.58 54.78 1pbt n ASN 98 Cb 0.14 0.11 -0.14 0.00 -1.54 0.00 0.00 39.78 38.35 1pbt n ASN 98 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1pbt s VAL 99 N -2.33 3.32 -0.10 2.41 1.01 -0.83 -0.81 120.40 123.08 1pbt s VAL 99 Ca 0.28 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1pbt s VAL 99 Cb 0.20 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1pbt s VAL 99 CO 0.46 0.46 -0.22 -1.00 0.00 0.00 0.00 175.10 174.79 1pbt s HIS 100 N 1.12 2.41 0.33 5.22 3.76 -0.29 -5.00 115.29 122.84 1pbt s HIS 100 Ca 0.01 -0.99 0.04 0.00 -0.15 0.00 0.00 55.06 53.98 1pbt s HIS 100 Cb -0.15 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 1pbt s HIS 100 CO -0.01 -0.41 0.33 1.52 -0.85 0.00 0.00 174.74 175.32 1pbt s TYR 101 N 0.40 1.55 -0.19 1.40 -0.85 -1.26 -2.68 117.35 115.72 1pbt s TYR 101 Ca -0.18 -1.56 -0.20 0.00 -0.52 0.00 0.00 57.07 54.61 1pbt s TYR 101 Cb -0.18 -0.54 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 1pbt s TYR 101 CO 0.08 -0.94 0.58 0.08 -1.52 0.00 0.00 175.55 173.83 1pbt s VAL 102 N -3.35 5.06 -1.06 -3.49 1.01 -1.26 -4.86 120.40 112.45 1pbt s VAL 102 Ca 0.38 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 63.24 1pbt s VAL 102 Cb 0.02 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1pbt s VAL 102 CO 0.25 0.16 1.45 -0.62 0.00 0.00 0.00 175.10 176.34 1pbt s ASP 103 N 1.13 6.60 0.00 3.32 -1.08 -1.26 -4.82 116.67 120.55 1pbt s ASP 103 Ca 0.27 -1.77 0.14 0.00 -0.52 0.00 0.00 52.55 50.67 1pbt s ASP 103 Cb -0.16 -2.54 0.83 0.00 -1.46 0.00 0.00 42.92 39.59 1pbt s ASP 103 CO 0.10 -1.36 1.26 0.35 0.52 0.00 0.00 175.17 176.04 1pbt n THR 104 N 6.51 0.00 0.51 1.71 -2.24 -1.26 -2.38 114.28 117.13 1pbt n THR 104 Ca 0.35 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 1pbt n THR 104 Cb 0.50 -0.65 0.39 0.00 -2.10 0.00 0.00 70.33 68.47 1pbt n THR 104 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pbt h SER 105 N 0.00 0.00 -2.71 3.42 4.64 -1.91 -3.45 113.55 113.54 1pbt h SER 105 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1pbt h SER 105 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1pbt h SER 105 CO 0.00 0.00 -0.21 -0.76 -0.87 0.00 0.00 176.83 174.99 1pbt s LEU 106 N -4.87 4.02 0.46 5.97 1.43 -1.00 -5.04 118.68 119.64 1pbt s LEU 106 Ca 0.09 0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1pbt s LEU 106 Cb 0.11 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 1pbt s LEU 106 CO 0.58 -0.31 1.21 -2.65 0.23 0.00 0.00 176.35 175.40 1pbt n PRO 107 N -1.77 1.69 -0.27 1.29 -0.02 -1.26 -4.55 135.00 130.10 1pbt n PRO 107 Ca -0.05 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1pbt n PRO 107 Cb 0.56 -2.33 0.21 0.00 -0.02 0.00 0.00 33.50 31.93 1pbt n PRO 107 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pbt h ILE 108 N 1.73 0.38 -0.33 4.25 2.10 -1.94 0.89 117.51 124.58 1pbt h ILE 108 Ca -0.48 -0.07 -0.10 0.00 1.08 0.00 0.00 64.86 65.30 1pbt h ILE 108 Cb 1.31 0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 1pbt h ILE 108 CO 0.58 0.04 -0.20 -0.08 -1.08 0.00 0.00 178.15 177.40 1pbt h GLU 109 N 0.19 0.63 -0.10 2.19 4.81 -1.99 -1.23 114.58 119.08 1pbt h GLU 109 Ca 0.47 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1pbt h GLU 109 Cb 0.87 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1pbt h GLU 109 CO -0.62 0.79 -0.47 0.87 -0.73 0.00 0.00 179.01 178.85 1pbt h LYS 110 N 0.56 0.25 -0.43 1.92 1.79 -1.28 -1.14 116.57 118.24 1pbt h LYS 110 Ca 0.09 -0.13 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1pbt h LYS 110 Cb 0.66 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1pbt h LYS 110 CO 0.05 0.67 -0.19 0.00 -1.08 0.00 0.00 179.45 178.90 1pbt h ALA 111 N 1.31 0.85 0.14 3.86 0.00 -0.55 -0.74 119.26 124.14 1pbt h ALA 111 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pbt h ALA 111 Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pbt h ALA 111 CO 0.07 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.90 1pbt h GLU 113 N -0.30 0.84 -0.33 0.00 5.08 -1.15 -0.80 114.58 117.93 1pbt h GLU 113 Ca -0.02 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1pbt h GLU 113 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1pbt h GLU 113 CO 0.03 0.86 0.11 -0.22 -1.00 0.00 0.00 179.01 178.79 1pbt h LYS 114 N 0.77 0.50 -0.48 2.33 3.64 -1.07 -1.26 116.57 121.00 1pbt h LYS 114 Ca 0.14 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1pbt h LYS 114 Cb 0.51 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1pbt h LYS 114 CO 0.03 0.53 0.25 -0.92 -2.27 0.00 0.00 179.45 177.07 1pbt h TYR 115 N 0.37 0.67 -0.38 1.91 3.20 -1.10 -1.52 116.97 120.13 1pbt h TYR 115 Ca 0.11 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1pbt h TYR 115 Cb 0.23 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1pbt h TYR 115 CO 0.00 0.52 0.23 1.49 -1.64 0.00 0.00 178.16 178.76 1pbt h GLU 116 N 0.64 0.46 -0.94 1.82 4.81 -0.91 -0.87 114.58 119.58 1pbt h GLU 116 Ca 0.17 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1pbt h GLU 116 Cb 0.08 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1pbt h GLU 116 CO -0.02 0.30 0.61 0.00 -0.73 0.00 0.00 179.01 179.17 1pbt h ARG 117 N 0.47 1.10 -0.27 1.92 3.08 -0.99 -0.78 114.38 118.91 1pbt h ARG 117 Ca 0.15 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1pbt h ARG 117 Cb -0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1pbt h ARG 117 CO -0.06 0.73 0.09 0.93 -1.07 0.00 0.00 179.97 180.59 1pbt h GLU 118 N 1.13 0.42 0.36 0.04 5.08 -0.51 -1.25 114.58 119.85 1pbt h GLU 118 Ca 0.39 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1pbt h GLU 118 Cb 0.09 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pbt h GLU 118 CO -0.13 0.47 -0.17 0.82 -1.00 0.00 0.00 179.01 179.00 1pbt h ILE 119 N 0.27 0.65 -1.01 3.13 2.04 -0.79 -1.40 117.51 120.42 1pbt h ILE 119 Ca 0.09 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1pbt h ILE 119 Cb 0.23 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1pbt h ILE 119 CO -0.00 0.01 0.65 0.03 0.00 0.00 0.00 178.15 178.83 1pbt h ARG 120 N -0.51 1.09 -0.20 2.37 3.08 -1.13 -1.38 114.38 117.69 1pbt h ARG 120 Ca -0.05 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1pbt h ARG 120 Cb 0.39 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1pbt h ARG 120 CO 0.08 0.72 -0.28 1.03 -1.07 0.00 0.00 179.97 180.45 1pbt h SER 121 N 1.12 0.39 0.31 7.04 0.87 -0.96 -3.24 113.55 119.07 1pbt h SER 121 Ca 0.46 -0.13 -0.28 0.00 -1.23 0.00 0.00 61.79 60.61 1pbt h SER 121 Cb 0.28 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1pbt h SER 121 CO -0.21 0.67 -1.18 0.00 -0.53 0.00 0.00 176.83 175.58 1pbt h ALA 122 N 1.36 0.10 -2.46 6.23 0.00 -0.24 -3.49 119.26 120.77 1pbt h ALA 122 Ca 0.05 -0.79 0.10 0.00 0.00 0.00 0.00 54.91 54.27 1pbt h ALA 122 Cb 0.68 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1pbt h ALA 122 CO 0.05 0.79 0.43 -0.08 0.00 0.00 0.00 179.25 180.44 1pbt s THR 123 N -2.96 0.00 -1.65 0.00 -1.32 -0.63 -5.02 115.64 104.06 1pbt s THR 123 Ca -0.07 -0.20 0.14 0.00 -1.21 0.00 0.00 61.69 60.36 1pbt s THR 123 Cb 0.07 -1.27 0.08 0.00 -1.51 0.00 0.00 72.50 69.87 1pbt s THR 123 CO 0.91 0.00 0.90 -0.90 -2.21 0.00 0.00 174.62 173.32 1pbt n ASP 124 N -0.33 1.98 -3.64 8.08 3.85 -1.26 -4.27 116.55 120.96 1pbt n ASP 124 Ca -0.09 -1.49 -0.10 0.00 -0.71 0.00 0.00 54.79 52.40 1pbt n ASP 124 Cb 0.62 0.15 -0.07 0.00 -1.35 0.00 0.00 41.12 40.47 1pbt n ASP 124 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1pbt s GLN 125 N -1.37 0.74 0.27 0.11 0.74 -1.26 -5.01 119.66 113.87 1pbt s GLN 125 Ca 0.15 1.11 -0.14 0.00 0.05 0.00 0.00 55.36 56.53 1pbt s GLN 125 Cb 0.12 0.23 -0.08 0.00 1.10 0.00 0.00 33.01 34.38 1pbt s GLN 125 CO 0.24 -0.13 0.67 -0.06 -0.55 0.00 0.00 175.29 175.45 1pbt s PHE 126 N 1.13 3.44 -0.07 1.67 0.08 -1.16 -4.84 117.98 118.24 1pbt s PHE 126 Ca -0.06 1.13 -0.09 0.00 0.12 0.00 0.00 56.93 58.03 1pbt s PHE 126 Cb -0.05 -2.45 -0.29 0.00 -0.57 0.00 0.00 43.02 39.65 1pbt s PHE 126 CO -0.11 0.20 0.57 -0.44 -0.10 0.00 0.00 175.22 175.33 1pbt h ASP 127 N 2.59 0.53 -3.73 1.36 3.32 -1.27 -1.41 116.42 117.81 1pbt h ASP 127 Ca -0.48 -0.92 -0.18 0.00 0.02 0.00 0.00 57.03 55.47 1pbt h ASP 127 Cb 1.18 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 40.29 1pbt h ASP 127 CO 0.66 1.80 -0.47 -0.22 -1.72 0.00 0.00 179.24 179.29 1pbt s LEU 128 N -7.18 1.05 -0.14 1.55 2.96 -1.11 -2.01 118.68 113.79 1pbt s LEU 128 Ca -0.18 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1pbt s LEU 128 Cb 0.06 0.73 0.02 0.00 0.50 0.00 0.00 46.19 47.49 1pbt s LEU 128 CO 0.82 -0.09 -0.17 0.00 -1.32 0.00 0.00 176.35 175.59 1pbt s ALA 129 N 0.32 1.98 -0.42 5.97 0.00 -0.20 -0.22 121.76 129.19 1pbt s ALA 129 Ca -0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1pbt s ALA 129 Cb -0.03 -1.00 0.08 0.00 0.00 0.00 0.00 23.12 22.17 1pbt s ALA 129 CO -0.01 -0.20 0.26 0.42 0.00 0.00 0.00 175.76 176.22 1pbt s ILE 130 N 1.15 4.20 0.29 0.00 1.01 0.56 -0.01 121.20 128.39 1pbt s ILE 130 Ca -0.01 -1.43 0.11 0.00 0.00 0.00 0.00 60.65 59.31 1pbt s ILE 130 Cb -0.14 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1pbt s ILE 130 CO -0.06 -0.52 -0.11 -0.76 0.00 0.00 0.00 174.94 173.49 1pbt s LEU 131 N 1.41 2.83 0.00 2.97 1.43 0.12 -1.09 118.68 126.36 1pbt s LEU 131 Ca 0.03 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1pbt s LEU 131 Cb -0.23 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1pbt s LEU 131 CO 0.02 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1pbt n GLY 132 N -0.75 4.45 3.59 -3.19 0.00 -1.26 -0.40 105.19 107.63 1pbt n GLY 132 Ca -0.05 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1pbt n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pbt s GLY 134 N 0.00 2.08 0.00 -0.02 0.00 -0.48 -4.40 107.32 104.51 1pbt s GLY 134 Ca 0.00 -1.99 0.10 0.00 0.00 0.00 0.00 44.72 42.83 1pbt s GLY 134 CO 0.00 -1.94 1.22 -1.55 0.00 0.00 0.00 173.10 170.83 1pbt n PRO 135 N -0.88 0.10 0.00 2.90 -0.04 -1.26 -0.28 135.00 135.54 1pbt n PRO 135 Ca -0.05 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1pbt n PRO 135 Cb 0.62 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.67 1pbt n PRO 135 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pbt n ASP 136 N -1.34 2.74 0.00 3.54 5.75 -1.26 -4.78 116.55 121.20 1pbt n ASP 136 Ca 0.04 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1pbt n ASP 136 Cb 0.09 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1pbt n ASP 136 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pbt n GLY 137 N 1.19 0.76 3.80 6.12 0.00 0.61 -4.88 105.19 112.79 1pbt n GLY 137 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1pbt n GLY 137 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pbt s HIS 138 N -2.80 2.97 0.03 1.61 -3.43 -1.26 -2.06 115.29 110.36 1pbt s HIS 138 Ca 0.00 1.47 0.04 0.00 -0.80 0.00 0.00 55.06 55.78 1pbt s HIS 138 Cb 0.00 -2.96 -0.02 0.00 -1.43 0.00 0.00 32.58 28.18 1pbt s HIS 138 CO 0.00 -1.30 -0.13 0.54 -2.00 0.00 0.00 174.74 171.85 1pbt s VAL 139 N -2.82 1.04 0.00 -5.38 0.11 -1.17 -1.38 120.40 110.80 1pbt s VAL 139 Ca 0.61 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1pbt s VAL 139 Cb -0.15 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1pbt s VAL 139 CO 0.49 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 172.31 1pbt n ALA 140 N 2.09 0.00 -1.79 1.54 0.00 -1.26 -0.36 120.51 120.74 1pbt n ALA 140 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1pbt n ALA 140 Cb 0.55 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.12 1pbt n ALA 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pbt n SER 141 N 4.16 3.41 -4.38 0.00 7.64 -1.26 -4.95 113.62 118.24 1pbt n SER 141 Ca 0.00 -3.83 -0.45 0.00 1.01 0.00 0.00 58.87 55.61 1pbt n SER 141 Cb 0.00 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1pbt n SER 141 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pbt s ILE 142 N -3.92 5.08 -0.23 0.44 1.01 0.52 -4.85 121.20 119.24 1pbt s ILE 142 Ca 0.45 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1pbt s ILE 142 Cb 0.39 -4.29 -0.19 0.00 0.01 0.00 0.00 42.46 38.39 1pbt s ILE 142 CO -0.01 -0.80 -0.12 0.49 0.00 0.00 0.00 174.94 174.49 1pbt n PHE 143 N 5.61 0.00 -4.47 3.97 3.72 -1.26 -3.06 117.46 121.98 1pbt n PHE 143 Ca -0.11 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.95 1pbt n PHE 143 Cb 0.43 -0.95 -0.10 0.00 -0.94 0.00 0.00 39.48 37.91 1pbt n PHE 143 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pbt s ASP 144 N -6.04 4.88 0.43 4.37 1.01 -1.26 -4.85 116.67 115.21 1pbt s ASP 144 Ca -0.25 0.00 0.11 0.00 0.71 0.00 0.00 52.55 53.12 1pbt s ASP 144 Cb 0.08 -1.26 0.96 0.00 1.01 0.00 0.00 42.92 43.71 1pbt s ASP 144 CO 0.65 0.34 2.03 -0.07 0.21 0.00 0.00 175.17 178.33 1pbt h LEU 145 N 4.93 0.39 -0.71 1.23 3.38 -1.94 -1.63 115.31 120.96 1pbt h LEU 145 Ca -0.49 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.55 1pbt h LEU 145 Cb 1.18 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1pbt h LEU 145 CO 0.54 0.26 0.39 -0.08 0.09 0.00 0.00 178.44 179.65 1pbt h GLU 146 N 0.45 0.68 -0.52 1.13 4.81 -1.96 0.28 114.58 119.45 1pbt h GLU 146 Ca 0.20 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1pbt h GLU 146 Cb 0.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1pbt h GLU 146 CO -0.05 0.45 0.30 1.15 -0.73 0.00 0.00 179.01 180.13 1pbt h THR 147 N 0.70 1.17 -0.05 0.32 2.02 -1.72 -2.41 112.91 112.94 1pbt h THR 147 Ca 0.33 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1pbt h THR 147 Cb 0.25 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1pbt h THR 147 CO -0.21 0.18 -0.39 1.23 0.37 0.00 0.00 175.52 176.70 1pbt h GLY 148 N 0.70 0.11 -0.67 2.16 0.00 -1.13 -2.82 103.07 101.40 1pbt h GLY 148 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1pbt h GLY 148 CO -0.03 0.09 0.00 0.70 0.00 0.00 0.00 176.54 177.29 1pbt n ASN 149 N -4.06 1.30 -4.73 0.19 3.02 -0.00 -0.83 115.26 110.15 1pbt n ASN 149 Ca -0.02 -1.79 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 1pbt n ASN 149 Cb 0.44 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1pbt n ASN 149 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pbt n LYS 150 N 0.13 2.16 -1.92 3.52 4.76 -0.95 -4.87 118.16 121.00 1pbt n LYS 150 Ca 0.13 0.77 -0.40 0.00 -2.87 0.00 0.00 58.31 55.93 1pbt n LYS 150 Cb 0.24 -2.50 -0.01 0.00 -1.84 0.00 0.00 35.03 30.93 1pbt n LYS 150 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pbt n ASP 151 N 0.17 7.28 -3.79 4.39 2.03 -1.26 -4.76 116.55 120.61 1pbt n ASP 151 Ca 0.05 -3.01 -0.08 0.00 0.52 0.00 0.00 54.79 52.28 1pbt n ASP 151 Cb 0.40 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.33 1pbt n ASP 151 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1pbt s ASN 152 N 1.00 -0.20 0.05 1.67 0.01 -1.26 -5.04 114.94 111.17 1pbt s ASN 152 Ca 0.53 -0.72 0.13 0.00 -0.71 0.00 0.00 52.86 52.10 1pbt s ASN 152 Cb 0.16 0.72 -0.17 0.00 0.41 0.00 0.00 41.25 42.37 1pbt s ASN 152 CO -0.07 -1.35 0.91 -0.07 -1.51 0.00 0.00 177.10 175.01 1pbt h LEU 153 N 2.04 0.00 -7.96 0.60 3.38 -1.95 -3.42 115.31 107.99 1pbt h LEU 153 Ca -0.21 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.36 1pbt h LEU 153 Cb 1.25 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.70 1pbt h LEU 153 CO 0.27 0.83 -0.78 -0.69 0.09 0.00 0.00 178.44 178.16 1pbt s VAL 154 N -2.75 0.69 0.32 1.22 1.01 -1.26 -1.39 120.40 118.23 1pbt s VAL 154 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1pbt s VAL 154 Cb 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1pbt s VAL 154 CO 0.81 0.21 0.25 0.28 0.00 0.00 0.00 175.10 176.65 1pbt s THR 155 N 0.09 0.04 0.12 3.92 -1.32 -0.19 -4.91 115.64 113.38 1pbt s THR 155 Ca -0.01 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.50 1pbt s THR 155 Cb -0.07 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 1pbt s THR 155 CO 0.00 0.00 -0.08 0.72 -2.21 0.00 0.00 174.62 173.05 1pbt s PHE 156 N -3.54 1.04 0.37 9.09 -0.12 -1.26 -0.68 117.98 122.89 1pbt s PHE 156 Ca 0.39 -0.85 0.06 0.00 -0.05 0.00 0.00 56.93 56.49 1pbt s PHE 156 Cb 0.03 -0.57 -0.07 0.00 -0.63 0.00 0.00 43.02 41.78 1pbt s PHE 156 CO 0.25 -0.06 0.01 0.95 -0.05 0.00 0.00 175.22 176.32 1pbt s THR 157 N -3.49 1.75 0.89 -4.49 -4.23 0.03 -4.97 115.64 101.14 1pbt s THR 157 Ca 0.14 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 1pbt s THR 157 Cb 0.04 -2.89 0.13 0.00 1.34 0.00 0.00 72.50 71.12 1pbt s THR 157 CO -0.03 -0.03 1.19 -1.81 -0.54 0.00 0.00 174.62 173.41 1pbt s ASP 158 N -3.62 3.73 0.14 3.99 -0.00 -1.26 -3.56 116.67 116.09 1pbt s ASP 158 Ca 0.35 0.72 -0.34 0.00 -0.00 0.00 0.00 52.55 53.28 1pbt s ASP 158 Cb 0.09 -1.13 -0.14 0.00 -0.00 0.00 0.00 42.92 41.74 1pbt s ASP 158 CO 0.17 -2.39 1.55 -2.65 -0.00 0.00 0.00 175.17 171.85 1pbt n PRO 159 N -3.62 1.99 -3.75 8.23 -0.02 -1.26 -4.29 135.00 132.28 1pbt n PRO 159 Ca 0.09 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.19 1pbt n PRO 159 Cb 0.60 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1pbt n PRO 159 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1pbt s SER 160 N 0.91 -0.12 0.52 2.55 0.01 -0.65 -4.76 113.70 112.16 1pbt s SER 160 Ca 0.80 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1pbt s SER 160 Cb -0.72 0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1pbt s SER 160 CO 0.40 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1pbt n GLY 161 N -0.21 -0.01 2.76 3.44 0.00 -1.26 -3.19 105.19 106.72 1pbt n GLY 161 Ca -0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1pbt n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pbt s ASP 162 N -4.00 1.21 0.49 1.61 2.15 -1.26 -2.80 116.67 114.08 1pbt s ASP 162 Ca 0.00 0.01 -0.23 0.00 0.43 0.00 0.00 52.55 52.76 1pbt s ASP 162 Cb 0.00 0.19 -0.07 0.00 -0.30 0.00 0.00 42.92 42.73 1pbt s ASP 162 CO 0.00 -0.28 1.29 -0.81 -0.17 0.00 0.00 175.17 175.20 1pbt n PRO 163 N 5.31 1.78 -2.67 4.34 -0.04 -1.26 -5.06 135.00 137.41 1pbt n PRO 163 Ca -0.05 0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 63.62 1pbt n PRO 163 Cb 0.50 -2.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 1pbt n PRO 163 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1pbt s LYS 164 N -2.54 3.93 0.12 0.54 2.20 -1.12 -4.65 119.74 118.21 1pbt s LYS 164 Ca 0.66 -1.98 0.03 0.00 -0.36 0.00 0.00 55.97 54.33 1pbt s LYS 164 Cb -0.46 -5.39 -0.04 0.00 -1.51 0.00 0.00 37.83 30.43 1pbt s LYS 164 CO 0.54 -2.13 -0.09 0.14 -0.36 0.00 0.00 175.35 173.45 1pbt s VAL 165 N 3.73 0.92 0.69 4.02 -7.23 -1.19 -4.55 120.40 116.78 1pbt s VAL 165 Ca 0.50 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1pbt s VAL 165 Cb 0.02 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1pbt s VAL 165 CO 0.03 -0.76 1.26 -2.84 -0.31 0.00 0.00 175.10 172.49 1pbt s PRO 166 N -3.56 2.34 0.14 4.82 0.02 -1.26 -1.64 135.00 135.87 1pbt s PRO 166 Ca 0.12 1.96 0.05 0.00 0.02 0.00 0.00 61.00 63.16 1pbt s PRO 166 Cb 0.02 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1pbt s PRO 166 CO -0.02 -1.73 -0.12 1.03 -0.33 0.00 0.00 177.00 175.83 1pbt s ARG 167 N -3.58 1.07 -0.09 5.54 1.81 -1.23 -0.75 118.95 121.72 1pbt s ARG 167 Ca 0.80 -1.39 0.05 0.00 -1.72 0.00 0.00 55.73 53.46 1pbt s ARG 167 Cb -0.35 -0.76 -0.00 0.00 -0.45 0.00 0.00 34.95 33.39 1pbt s ARG 167 CO 0.42 0.12 -0.24 0.08 -0.68 0.00 0.00 175.30 175.00 1pbt s VAL 168 N -2.88 2.08 0.00 3.52 1.01 -0.30 -0.79 120.40 123.04 1pbt s VAL 168 Ca 0.14 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1pbt s VAL 168 Cb -0.00 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1pbt s VAL 168 CO 0.02 0.56 0.24 0.28 0.00 0.00 0.00 175.10 176.20 1pbt s THR 169 N 0.19 0.07 0.63 3.92 -1.32 0.15 -0.51 115.64 118.77 1pbt s THR 169 Ca -0.14 -0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.58 1pbt s THR 169 Cb -0.17 -0.61 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 1pbt s THR 169 CO 0.07 -0.33 1.10 -0.76 -2.21 0.00 0.00 174.62 172.49 1pbt s LEU 170 N -1.48 3.46 0.62 9.08 1.43 -0.27 -1.03 118.68 130.48 1pbt s LEU 170 Ca -0.12 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1pbt s LEU 170 Cb -0.05 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.71 1pbt s LEU 170 CO 0.02 -1.49 0.85 0.42 0.23 0.00 0.00 176.35 176.38 1pbt s THR 171 N -2.28 2.23 0.24 5.49 -4.23 -0.48 -4.81 115.64 111.80 1pbt s THR 171 Ca 0.67 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1pbt s THR 171 Cb -0.20 -2.40 0.24 0.00 1.34 0.00 0.00 72.50 71.48 1pbt s THR 171 CO 0.39 0.00 1.91 -0.26 -0.54 0.00 0.00 174.62 176.11 1pbt h PHE 172 N -0.06 1.26 -0.51 3.99 0.04 -1.27 -0.40 116.94 120.00 1pbt h PHE 172 Ca -0.34 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.48 1pbt h PHE 172 Cb 1.28 -0.42 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 1pbt h PHE 172 CO 0.18 0.82 0.27 -0.09 -0.60 0.00 0.00 178.31 178.89 1pbt h ARG 173 N 1.34 0.51 0.11 1.51 2.43 -1.84 0.21 114.38 118.64 1pbt h ARG 173 Ca 0.35 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1pbt h ARG 173 Cb -0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1pbt h ARG 173 CO -0.07 0.34 -0.05 0.00 -1.51 0.00 0.00 179.97 178.67 1pbt h ALA 174 N 1.26 -0.15 -0.76 2.80 0.00 -1.65 -3.18 119.26 117.59 1pbt h ALA 174 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pbt h ALA 174 Cb 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1pbt h ALA 174 CO -0.14 -0.40 0.50 -0.07 0.00 0.00 0.00 179.25 179.14 1pbt h LEU 175 N -0.52 0.79 0.00 0.00 3.38 -0.90 -1.85 115.31 116.21 1pbt h LEU 175 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pbt h LEU 175 Cb 0.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pbt h LEU 175 CO 0.02 0.55 0.00 0.59 0.09 0.00 0.00 178.44 179.69 1pbt n ASN 176 N -4.45 0.00 -0.41 -0.43 3.02 0.73 -1.81 115.26 111.90 1pbt n ASN 176 Ca 0.10 -1.03 0.14 0.00 -0.03 0.00 0.00 54.58 53.75 1pbt n ASN 176 Cb 0.12 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 39.77 1pbt n ASN 176 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1pbt n THR 177 N -0.83 0.00 -2.49 3.41 -2.24 -0.69 -4.48 114.28 106.95 1pbt n THR 177 Ca 0.12 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1pbt n THR 177 Cb 0.06 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1pbt n THR 177 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pbt s SER 178 N -2.15 7.16 0.15 3.42 0.01 -0.75 -2.97 113.70 118.57 1pbt s SER 178 Ca 0.34 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 59.44 1pbt s SER 178 Cb 0.20 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1pbt s SER 178 CO 0.39 -0.39 1.63 -0.07 0.41 0.00 0.00 173.24 175.22 1pbt h LEU 179 N 6.47 0.78 -8.01 2.44 3.38 -1.24 0.17 115.31 119.29 1pbt h LEU 179 Ca -0.42 -0.26 -0.52 0.00 0.09 0.00 0.00 57.88 56.77 1pbt h LEU 179 Cb 1.21 -0.21 -0.33 0.00 0.09 0.00 0.00 40.66 41.42 1pbt h LEU 179 CO 0.78 0.84 -0.82 -0.31 0.09 0.00 0.00 178.44 179.03 1pbt s TYR 180 N -5.20 1.51 -0.12 1.13 2.02 -0.85 -0.04 117.35 115.80 1pbt s TYR 180 Ca -0.13 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 1pbt s TYR 180 Cb 0.11 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.57 1pbt s TYR 180 CO 0.80 -0.27 -0.18 0.08 -1.57 0.00 0.00 175.55 174.40 1pbt s VAL 181 N 0.61 2.51 -0.13 0.71 1.01 -0.70 -1.04 120.40 123.37 1pbt s VAL 181 Ca -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1pbt s VAL 181 Cb -0.16 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1pbt s VAL 181 CO 0.04 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.73 1pbt s LEU 182 N 0.48 2.34 -0.16 3.92 1.43 0.98 -0.43 118.68 127.24 1pbt s LEU 182 Ca -0.12 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1pbt s LEU 182 Cb -0.17 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1pbt s LEU 182 CO 0.05 0.13 -0.01 -0.36 0.23 0.00 0.00 176.35 176.40 1pbt s PHE 183 N 0.51 3.10 -0.33 0.29 0.08 0.80 0.12 117.98 122.55 1pbt s PHE 183 Ca -0.12 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 1pbt s PHE 183 Cb -0.17 -1.98 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 1pbt s PHE 183 CO 0.05 0.07 0.05 -0.51 -0.10 0.00 0.00 175.22 174.77 1pbt s LEU 184 N 0.25 4.38 0.07 -0.37 1.02 0.47 -0.33 118.68 124.17 1pbt s LEU 184 Ca -0.01 -1.69 0.04 0.00 0.02 0.00 0.00 54.13 52.49 1pbt s LEU 184 Cb -0.13 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1pbt s LEU 184 CO 0.02 -0.35 -0.11 0.27 0.02 0.00 0.00 176.35 176.20 1pbt s ILE 185 N 1.12 0.88 0.02 -0.59 -4.36 -0.94 -4.57 121.20 112.77 1pbt s ILE 185 Ca 0.01 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1pbt s ILE 185 Cb -0.20 -1.08 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1pbt s ILE 185 CO -0.04 -0.42 -0.03 -0.13 0.24 0.00 0.00 174.94 174.56 1pbt s ARG 186 N -2.16 0.31 0.00 0.37 0.52 -1.26 -1.09 118.95 115.63 1pbt s ARG 186 Ca -0.01 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1pbt s ARG 186 Cb -0.07 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.43 1pbt s ARG 186 CO 0.01 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1pbt n GLY 187 N 1.80 2.22 0.36 -3.53 0.00 -0.56 -4.45 105.19 101.02 1pbt n GLY 187 Ca -0.22 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1pbt n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pbt h LYS 188 N 0.00 1.18 -0.08 1.61 1.57 -1.87 -0.79 116.57 118.18 1pbt h LYS 188 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pbt h LYS 188 Cb 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1pbt h LYS 188 CO 0.00 0.78 0.04 1.49 -0.57 0.00 0.00 179.45 181.19 1pbt h GLU 189 N 1.21 0.08 -0.20 3.15 4.57 -1.97 0.71 114.58 122.15 1pbt h GLU 189 Ca 0.37 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.43 1pbt h GLU 189 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1pbt h GLU 189 CO -0.11 0.06 -0.38 0.87 -1.18 0.00 0.00 179.01 178.27 1pbt h LYS 190 N 0.09 0.43 -0.56 1.92 1.57 -1.73 -1.88 116.57 116.41 1pbt h LYS 190 Ca 0.03 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pbt h LYS 190 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1pbt h LYS 190 CO -0.02 0.75 0.29 0.82 -0.57 0.00 0.00 179.45 180.72 1pbt h ILE 191 N 0.36 1.17 -0.31 1.86 2.04 -0.60 0.26 117.51 122.30 1pbt h ILE 191 Ca 0.04 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1pbt h ILE 191 Cb 0.83 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1pbt h ILE 191 CO 0.07 0.20 0.20 0.78 0.00 0.00 0.00 178.15 179.40 1pbt h ASN 192 N 0.77 0.35 -0.60 1.72 2.35 -0.09 -1.22 115.58 118.87 1pbt h ASN 192 Ca 0.20 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1pbt h ASN 192 Cb 0.04 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 1pbt h ASN 192 CO -0.03 0.26 0.34 0.03 -1.65 0.00 0.00 177.43 176.38 1pbt h ARG 193 N 0.42 0.64 -0.70 0.81 2.47 -0.69 -2.06 114.38 115.27 1pbt h ARG 193 Ca 0.11 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1pbt h ARG 193 Cb -0.05 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.10 1pbt h ARG 193 CO -0.02 0.42 0.35 1.25 0.56 0.00 0.00 179.97 182.52 1pbt h LEU 194 N 0.66 0.88 -1.17 3.04 5.85 -0.50 -0.93 115.31 123.14 1pbt h LEU 194 Ca 0.26 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1pbt h LEU 194 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1pbt h LEU 194 CO -0.14 0.74 -0.25 0.71 -0.34 0.00 0.00 178.44 179.15 1pbt h THR 195 N 0.98 1.24 -0.17 1.05 1.35 -0.63 -0.09 112.91 116.64 1pbt h THR 195 Ca 0.24 -1.13 -0.11 0.00 -0.55 0.00 0.00 66.41 64.86 1pbt h THR 195 Cb 0.08 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1pbt h THR 195 CO -0.03 0.34 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.86 1pbt h GLU 196 N 0.24 0.38 -0.20 4.72 5.08 -0.64 -2.12 114.58 122.03 1pbt h GLU 196 Ca 0.04 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1pbt h GLU 196 Cb 0.58 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1pbt h GLU 196 CO 0.04 0.71 -0.33 0.82 -1.00 0.00 0.00 179.01 179.25 1pbt h ILE 197 N 0.32 1.28 0.00 3.13 2.04 -0.03 0.33 117.51 124.58 1pbt h ILE 197 Ca 0.03 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1pbt h ILE 197 Cb 0.82 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1pbt h ILE 197 CO 0.07 0.43 -0.16 -0.07 0.00 0.00 0.00 178.15 178.41 1pbt h LEU 198 N 0.35 0.00 -3.85 1.44 3.38 -0.49 -2.23 115.31 113.91 1pbt h LEU 198 Ca 0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.65 1pbt h LEU 198 Cb 0.75 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.28 1pbt h LEU 198 CO 0.06 0.16 0.45 0.29 0.09 0.00 0.00 178.44 179.49 1pbt n LYS 199 N -3.37 2.95 -2.87 1.13 5.02 -0.71 -4.93 118.16 115.37 1pbt n LYS 199 Ca -0.00 -3.06 -0.22 0.00 -2.02 0.00 0.00 58.31 53.01 1pbt n LYS 199 Cb 0.37 -2.19 0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1pbt n LYS 199 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pbt n ASP 200 N -0.67 -5.89 -4.68 4.39 8.00 -0.84 -4.97 116.55 111.88 1pbt n ASP 200 Ca 0.50 -0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1pbt n ASP 200 Cb 1.52 -4.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.79 1pbt n ASP 200 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pbt s THR 201 N -3.12 4.67 0.00 -3.53 2.01 0.02 -4.92 115.64 110.77 1pbt s THR 201 Ca 0.23 1.97 -0.02 0.00 0.31 0.00 0.00 61.69 64.17 1pbt s THR 201 Cb -0.10 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.05 1pbt s THR 201 CO 0.28 -0.06 1.73 -0.81 -0.69 0.00 0.00 174.62 175.07 1pbt n PRO 202 N 5.52 0.83 -1.38 4.92 -0.04 -1.26 -4.50 135.00 139.10 1pbt n PRO 202 Ca 0.10 -0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 62.89 1pbt n PRO 202 Cb 0.47 -1.62 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1pbt n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pbt s LEU 203 N 0.00 3.15 0.23 1.53 1.43 -1.26 -4.88 118.68 118.88 1pbt s LEU 203 Ca 0.24 1.95 -0.07 0.00 -1.03 0.00 0.00 54.13 55.22 1pbt s LEU 203 Cb 0.11 -4.54 0.41 0.00 0.03 0.00 0.00 46.19 42.20 1pbt s LEU 203 CO 0.00 -2.02 1.67 -0.65 0.23 0.00 0.00 176.35 175.58 1pbt h PRO 204 N -0.78 0.20 0.00 1.29 0.11 -1.87 0.07 132.00 131.02 1pbt h PRO 204 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pbt h PRO 204 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pbt h PRO 204 CO 0.51 0.13 -0.00 0.00 -0.21 0.00 0.00 178.00 178.43 1pbt h ALA 205 N 1.61 1.23 0.00 -0.75 0.00 -1.70 -1.63 119.26 118.02 1pbt h ALA 205 Ca 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1pbt h ALA 205 Cb 0.65 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pbt h ALA 205 CO -0.53 0.00 -0.11 -0.92 0.00 0.00 0.00 179.25 177.69 1pbt h TYR 206 N 0.00 0.00 -0.01 0.00 3.20 -1.27 -2.89 116.97 116.01 1pbt h TYR 206 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1pbt h TYR 206 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1pbt h TYR 206 CO 0.00 0.11 -0.33 1.19 -1.64 0.00 0.00 178.16 177.49 1pbt n PHE 207 N -3.84 0.00 -3.51 -3.82 3.72 -0.61 -4.83 117.46 104.57 1pbt n PHE 207 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1pbt n PHE 207 Cb 0.21 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1pbt n PHE 207 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pbt s VAL 208 N -2.56 5.25 -0.01 -4.37 1.01 -1.09 -4.96 120.40 113.67 1pbt s VAL 208 Ca 0.22 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1pbt s VAL 208 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1pbt s VAL 208 CO 0.55 0.20 0.05 -0.13 0.00 0.00 0.00 175.10 175.78 1pbt s ARG 209 N 1.89 0.16 0.52 2.72 1.81 -1.26 -5.03 118.95 119.75 1pbt s ARG 209 Ca 0.10 -0.11 -0.18 0.00 -1.72 0.00 0.00 55.73 53.83 1pbt s ARG 209 Cb -0.16 0.07 -0.07 0.00 -0.45 0.00 0.00 34.95 34.34 1pbt s ARG 209 CO 0.11 -0.03 1.01 0.20 -0.68 0.00 0.00 175.30 175.91 1pbt s GLY 210 N -0.42 2.22 0.40 -3.53 0.00 -1.22 -4.58 107.32 100.19 1pbt s GLY 210 Ca -0.05 0.36 0.10 0.00 0.00 0.00 0.00 44.72 45.14 1pbt s GLY 210 CO 0.00 0.66 1.93 0.50 0.00 0.00 0.00 173.10 176.19 1pbt h LYS 211 N 1.03 0.19 0.00 2.90 1.57 -0.18 -3.31 116.57 118.78 1pbt h LYS 211 Ca -0.48 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 57.85 1pbt h LYS 211 Cb 1.20 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1pbt h LYS 211 CO 0.60 0.34 -2.37 0.39 -0.57 0.00 0.00 179.45 177.83 1pbt n GLU 212 N -4.29 0.55 -3.53 3.15 -0.58 0.94 -4.72 120.64 112.15 1pbt n GLU 212 Ca -0.01 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.84 1pbt n GLU 212 Cb 0.26 -1.42 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 1pbt n GLU 212 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1pbt s LYS 213 N -2.50 1.11 -0.09 3.49 2.20 -0.98 -3.61 119.74 119.37 1pbt s LYS 213 Ca -0.36 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 1pbt s LYS 213 Cb 0.13 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.98 1pbt s LYS 213 CO 0.45 -0.43 -0.13 0.99 -0.36 0.00 0.00 175.35 175.88 1pbt s THR 214 N -2.87 1.29 -0.06 3.43 2.01 -0.93 -1.73 115.64 116.78 1pbt s THR 214 Ca -0.03 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1pbt s THR 214 Cb -0.00 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 1pbt s THR 214 CO -0.05 0.40 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 1pbt s VAL 215 N 0.96 1.56 -0.16 3.82 1.01 0.42 -0.98 120.40 127.02 1pbt s VAL 215 Ca -0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1pbt s VAL 215 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1pbt s VAL 215 CO -0.00 0.45 -0.04 0.26 0.00 0.00 0.00 175.10 175.76 1pbt s TRP 216 N 0.20 3.00 -0.38 5.22 0.52 0.54 -0.14 118.94 127.90 1pbt s TRP 216 Ca -0.09 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.55 1pbt s TRP 216 Cb -0.14 -1.98 0.06 0.00 -1.15 0.00 0.00 33.47 30.26 1pbt s TRP 216 CO 0.04 -0.12 0.19 -0.06 0.02 0.00 0.00 176.95 177.02 1pbt s PHE 217 N 0.54 3.30 -0.23 -1.98 0.08 0.55 -0.33 117.98 119.91 1pbt s PHE 217 Ca -0.03 -1.43 -0.06 0.00 0.12 0.00 0.00 56.93 55.52 1pbt s PHE 217 Cb -0.14 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 1pbt s PHE 217 CO 0.03 -0.77 0.03 0.08 -0.10 0.00 0.00 175.22 174.49 1pbt s VAL 218 N 1.42 4.09 -0.82 -0.44 1.01 0.13 -2.21 120.40 123.58 1pbt s VAL 218 Ca 0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1pbt s VAL 218 Cb -0.21 -2.89 0.13 0.00 0.00 0.00 0.00 36.38 33.42 1pbt s VAL 218 CO 0.03 0.38 0.97 -0.83 0.00 0.00 0.00 175.10 175.64 1pbt s GLY 219 N 1.41 1.96 0.00 4.51 0.00 -0.25 -0.40 107.32 114.55 1pbt s GLY 219 Ca 0.05 -2.66 0.13 0.00 0.00 0.00 0.00 44.72 42.24 1pbt s GLY 219 CO 0.02 1.81 1.21 0.28 0.00 0.00 0.00 173.10 176.41