#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnz n GLY 2 N 0.00 0.23 1.59 3.03 0.00 -1.26 -4.90 105.19 103.88 2nnz n GLY 2 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2nnz n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nnz n GLU 3 N 0.00 0.00 0.00 1.61 1.02 -1.26 -5.14 120.64 116.87 2nnz n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2nnz n GLU 3 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nnz n ARG 4 N -2.29 0.00 0.00 3.49 3.00 -1.26 -4.85 116.66 114.75 2nnz n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2nnz n ARG 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nnz n GLY 5 N 0.00 0.29 2.77 -0.13 0.00 -1.26 -4.99 105.19 101.87 2nnz n GLY 5 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2nnz n GLY 5 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2nnz n VAL 6 N -1.54 4.80 -2.70 1.61 0.24 -1.26 -4.34 118.33 115.15 2nnz n VAL 6 Ca 0.00 -5.81 -0.04 0.00 -2.04 0.00 0.00 64.34 56.45 2nnz n VAL 6 Cb 0.00 -1.51 0.11 0.00 -1.47 0.00 0.00 33.84 30.98 2nnz n VAL 6 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2nnz n GLU 7 N -0.10 1.32 -3.81 7.34 -0.58 -1.24 -4.79 120.64 118.79 2nnz n GLU 7 Ca 0.40 -1.77 -0.37 0.00 -0.42 0.00 0.00 57.16 55.01 2nnz n GLU 7 Cb 0.32 -0.03 -0.13 0.00 -0.57 0.00 0.00 31.44 31.03 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2nnz s MET 8 N -0.40 3.11 0.02 3.49 1.75 -1.16 -4.95 119.30 121.16 2nnz s MET 8 Ca 0.16 -0.83 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 2nnz s MET 8 Cb 0.42 -3.27 -0.03 0.00 2.84 0.00 0.00 34.83 34.78 2nnz s MET 8 CO -0.10 -0.40 -0.06 -0.98 -0.65 0.00 0.00 175.02 172.84 2nnz s ARG 9 N 1.48 2.53 0.33 4.11 1.04 -1.26 -0.54 118.95 126.64 2nnz s ARG 9 Ca 0.03 -0.75 0.10 0.00 -1.04 0.00 0.00 55.73 54.07 2nnz s ARG 9 Cb -0.17 -2.50 -0.06 0.00 -2.04 0.00 0.00 34.95 30.18 2nnz s ARG 9 CO 0.01 0.59 -0.08 -0.48 -0.04 0.00 0.00 175.30 175.30 2nnz s LEU 10 N -1.58 2.80 0.00 -1.89 2.34 -0.37 -4.31 118.68 115.67 2nnz s LEU 10 Ca 0.18 -1.08 0.01 0.00 0.06 0.00 0.00 54.13 53.31 2nnz s LEU 10 Cb -0.11 -1.16 -0.04 0.00 -0.56 0.00 0.00 46.19 44.33 2nnz s LEU 10 CO 0.09 -0.15 0.01 -0.60 -1.06 0.00 0.00 176.35 174.64 2nnz s ARG 11 N -3.62 2.81 -0.27 1.48 3.00 0.30 -3.06 118.95 119.59 2nnz s ARG 11 Ca 0.33 -0.61 -0.01 0.00 -1.00 0.00 0.00 55.73 54.44 2nnz s ARG 11 Cb -0.00 -2.69 0.13 0.00 0.00 0.00 0.00 34.95 32.39 2nnz s ARG 11 CO 0.17 0.62 0.29 0.42 0.00 0.00 0.00 175.30 176.81 2nnz s ILE 12 N -1.11 -0.41 0.19 4.11 1.01 -1.11 -1.77 121.20 122.11 2nnz s ILE 12 Ca 0.20 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.53 2nnz s ILE 12 Cb -0.12 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2nnz s ILE 12 CO 0.11 -0.40 0.07 0.00 0.00 0.00 0.00 174.94 174.73 2nnz s ARG 13 N 2.38 2.64 -0.01 2.79 1.70 -1.25 -2.48 118.95 124.71 2nnz s ARG 13 Ca 0.09 -1.05 0.05 0.00 -0.47 0.00 0.00 55.73 54.35 2nnz s ARG 13 Cb -0.14 -2.47 -0.01 0.00 -0.57 0.00 0.00 34.95 31.76 2nnz s ARG 13 CO -0.28 0.45 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.18 2nnz s PHE 14 N -1.85 1.31 0.57 5.89 0.40 0.37 -3.69 117.98 120.97 2nnz s PHE 14 Ca 0.30 -0.25 0.42 0.00 -0.60 0.00 0.00 56.93 56.80 2nnz s PHE 14 Cb -0.09 -0.84 1.53 0.00 0.51 0.00 0.00 43.02 44.14 2nnz s PHE 14 CO 0.21 -0.02 1.57 0.93 0.70 0.00 0.00 175.22 178.62 2nnz h GLU 15 N 5.73 0.00 0.00 0.44 3.07 -1.93 0.62 114.58 122.51 2nnz h GLU 15 Ca -0.35 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 2nnz h GLU 15 Cb 1.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2nnz h GLU 15 CO 0.48 0.00 -0.22 -1.13 -1.40 0.00 0.00 179.01 176.75 2nnz n SER 16 N -3.83 1.94 -3.62 1.42 3.41 -1.26 -5.06 113.62 106.63 2nnz n SER 16 Ca 0.35 -3.20 -0.04 0.00 -0.26 0.00 0.00 58.87 55.72 2nnz n SER 16 Cb 1.73 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz s ALA 17 N -2.66 -2.09 0.16 7.33 0.00 0.22 -5.00 121.76 119.72 2nnz s ALA 17 Ca 0.31 1.75 0.10 0.00 0.00 0.00 0.00 51.96 54.12 2nnz s ALA 17 Cb 0.29 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2nnz s ALA 17 CO -0.01 -0.42 -0.18 -1.83 0.00 0.00 0.00 175.76 173.32 2nnz s GLU 18 N -1.69 1.76 -0.03 0.00 -1.05 -1.26 0.14 118.70 116.57 2nnz s GLU 18 Ca 0.08 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.28 2nnz s GLU 18 Cb -0.01 -2.03 0.08 0.00 -0.44 0.00 0.00 34.13 31.73 2nnz s GLU 18 CO -0.05 0.44 0.71 0.00 0.95 0.00 0.00 175.26 177.31 2nnz s GLU 20 N -1.54 0.45 -0.18 0.00 0.41 -1.26 -2.76 118.70 113.81 2nnz s GLU 20 Ca -0.08 -0.70 -0.20 0.00 -0.41 0.00 0.00 54.97 53.58 2nnz s GLU 20 Cb -0.00 -0.15 0.05 0.00 -1.78 0.00 0.00 34.13 32.25 2nnz s GLU 20 CO 0.06 0.01 0.54 0.54 -0.49 0.00 0.00 175.26 175.92 2nnz s VAL 21 N -1.40 0.00 0.57 2.63 0.11 -1.17 -3.73 120.40 117.41 2nnz s VAL 21 Ca -0.12 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2nnz s VAL 21 Cb -0.10 -0.77 0.11 0.00 -1.53 0.00 0.00 36.38 34.09 2nnz s VAL 21 CO -0.00 -0.02 0.78 -0.62 -3.33 0.00 0.00 175.10 171.91 2nnz n GLU 22 N 2.55 0.23 -3.68 1.54 4.71 -0.52 -1.24 120.64 124.23 2nnz n GLU 22 Ca -0.14 -2.39 -0.14 0.00 -0.01 0.00 0.00 57.16 54.48 2nnz n GLU 22 Cb 0.56 -0.43 -0.08 0.00 -1.01 0.00 0.00 31.44 30.47 2nnz n GLU 22 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2nnz s LEU 23 N 0.00 -0.00 0.07 -4.62 2.96 0.30 -3.52 118.68 113.86 2nnz s LEU 23 Ca 0.54 0.92 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 2nnz s LEU 23 Cb -0.03 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.47 2nnz s LEU 23 CO 0.35 -0.27 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.59 2nnz s TYR 24 N -0.08 1.88 -0.81 5.38 2.02 -1.26 -2.99 117.35 121.49 2nnz s TYR 24 Ca -0.03 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2nnz s TYR 24 Cb -0.03 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2nnz s TYR 24 CO 0.02 0.15 0.85 0.39 -1.57 0.00 0.00 175.55 175.40 2nnz n GLU 25 N 1.52 0.00 -0.34 -0.62 1.02 -1.26 -2.94 120.64 118.02 2nnz n GLU 25 Ca -0.18 0.36 0.36 0.00 -0.02 0.00 0.00 57.16 57.68 2nnz n GLU 25 Cb 0.53 -1.61 0.72 0.00 -0.02 0.00 0.00 31.44 31.06 2nnz n GLU 25 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2nnz h GLU 26 N 0.00 0.00 0.01 3.49 4.11 -1.95 0.11 114.58 120.35 2nnz h GLU 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nnz h GLU 26 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2nnz h GLU 26 CO 0.00 0.00 -0.00 2.35 0.07 0.00 0.00 179.01 181.43 2nnz h TRP 27 N 0.00 -0.01 0.00 2.06 7.01 -1.82 -3.44 115.95 119.75 2nnz h TRP 27 Ca 0.59 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.59 2nnz h TRP 27 Cb 2.56 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.63 2nnz h TRP 27 CO 0.00 0.40 0.00 0.00 -2.79 0.00 0.00 178.44 176.05 2nnz n ALA 28 N -2.71 0.00 -0.36 2.65 0.00 0.39 -4.63 120.51 115.85 2nnz n ALA 28 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.67 2nnz n ALA 28 Cb 0.20 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.20 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2nnz h PRO 29 N 0.00 0.28 -0.13 0.00 0.10 -1.93 0.33 132.00 130.65 2nnz h PRO 29 Ca 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 66.00 66.08 2nnz h PRO 29 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 31.00 31.03 2nnz h PRO 29 CO 0.00 0.18 0.06 0.93 0.10 0.00 0.00 178.00 179.28 2nnz h GLU 30 N 0.29 0.18 -0.43 1.05 3.07 -1.95 -2.78 114.58 114.00 2nnz h GLU 30 Ca 0.69 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.50 2nnz h GLU 30 Cb 1.87 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.73 2nnz h GLU 30 CO -0.37 0.23 0.21 1.79 -1.40 0.00 0.00 179.01 179.46 2nnz h THR 31 N 0.09 1.18 -0.89 1.13 1.35 -1.33 -2.29 112.91 112.15 2nnz h THR 31 Ca 0.04 -0.51 0.24 0.00 -0.55 0.00 0.00 66.41 65.64 2nnz h THR 31 Cb 0.10 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 67.20 2nnz h THR 31 CO -0.01 0.20 0.62 0.58 -0.25 0.00 0.00 175.52 176.66 2nnz h VAL 32 N 0.56 0.59 -0.62 6.82 2.07 -1.23 0.97 116.25 125.39 2nnz h VAL 32 Ca 0.15 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.64 2nnz h VAL 32 Cb 0.12 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2nnz h VAL 32 CO -0.02 0.02 0.41 -0.09 0.02 0.00 0.00 177.57 177.91 2nnz h ARG 33 N 0.11 0.80 -0.13 1.57 2.43 -1.13 -2.30 114.38 115.73 2nnz h ARG 33 Ca 0.44 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 2nnz h ARG 33 Cb 1.55 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2nnz h ARG 33 CO -0.06 0.53 -0.07 0.00 -1.51 0.00 0.00 179.97 178.86 2nnz h ALA 34 N 1.62 0.18 -0.25 2.80 0.00 -0.90 -1.49 119.26 121.22 2nnz h ALA 34 Ca 0.23 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2nnz h ALA 34 Cb -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2nnz h ALA 34 CO -0.05 -0.03 -0.15 0.82 0.00 0.00 0.00 179.25 179.84 2nnz h ILE 35 N -0.08 0.56 0.00 0.00 1.08 -1.45 0.16 117.51 117.78 2nnz h ILE 35 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2nnz h ILE 35 Cb 0.53 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2nnz h ILE 35 CO 0.02 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.41 2nnz h ALA 36 N 1.06 1.75 0.00 1.87 0.00 -1.41 -0.34 119.26 122.19 2nnz h ALA 36 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2nnz h ALA 36 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2nnz h ALA 36 CO -0.33 0.09 -0.25 0.22 0.00 0.00 0.00 179.25 178.98 2nnz h ASP 37 N 0.00 0.00 -2.01 0.00 3.58 0.33 -3.26 116.42 115.07 2nnz h ASP 37 Ca -0.00 0.00 -0.77 0.00 0.42 0.00 0.00 57.03 56.68 2nnz h ASP 37 Cb 0.14 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 40.92 2nnz h ASP 37 CO 0.01 0.25 1.03 0.00 -2.88 0.00 0.00 179.24 177.65 2nnz n ALA 38 N -2.22 6.46 -1.00 -0.78 0.00 -0.14 -5.01 120.51 117.83 2nnz n ALA 38 Ca 0.01 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 2nnz n ALA 38 Cb 0.47 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2nnz n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nnz n LEU 39 N -0.50 0.00 -1.92 0.00 4.77 -1.23 -4.56 117.00 113.55 2nnz n LEU 39 Ca 0.53 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 56.27 2nnz n LEU 39 Cb 0.24 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2nnz n LEU 39 CO 0.51 -0.44 0.84 -2.65 -1.33 0.00 0.00 177.39 174.32 2nnz n PRO 40 N 0.00 0.00 -3.80 3.23 -0.02 -0.37 -4.51 135.00 129.54 2nnz n PRO 40 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2nnz n PRO 40 Cb 0.00 -0.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.72 2nnz n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nnz s ILE 41 N 3.11 0.06 0.07 4.25 1.01 -0.48 -4.96 121.20 124.27 2nnz s ILE 41 Ca 0.56 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 2nnz s ILE 41 Cb -0.63 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.25 2nnz s ILE 41 CO 0.27 -0.29 0.71 -0.54 0.00 0.00 0.00 174.94 175.09 2nnz s LYS 42 N -1.25 4.44 -0.01 2.79 1.02 -1.26 -2.06 119.74 123.41 2nnz s LYS 42 Ca -0.13 0.98 -0.09 0.00 0.02 0.00 0.00 55.97 56.74 2nnz s LYS 42 Cb -0.06 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2nnz s LYS 42 CO 0.03 0.41 0.19 -1.54 -0.92 0.00 0.00 175.35 173.52 2nnz s SER 43 N -0.47 -0.05 -0.21 2.83 1.04 0.34 -4.90 113.70 112.28 2nnz s SER 43 Ca 0.35 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 2nnz s SER 43 Cb -0.21 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.22 -0.37 0.11 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.27 5.09 0.04 2.02 2.01 -1.26 0.42 115.64 122.69 2nnz s THR 44 Ca -0.13 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 2nnz s THR 44 Cb -0.07 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2nnz s THR 44 CO 0.02 0.41 0.66 0.00 -0.69 0.00 0.00 174.62 175.03 2nnz s ALA 45 N 0.65 3.46 -0.21 7.40 0.00 -0.61 -4.38 121.76 128.07 2nnz s ALA 45 Ca 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 2nnz s ALA 45 Cb -0.12 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2nnz s ALA 45 CO 0.01 0.19 -0.00 -0.80 0.00 0.00 0.00 175.76 175.16 2nnz s ASN 46 N -0.42 4.77 0.18 0.00 0.01 -1.20 -3.53 114.94 114.76 2nnz s ASN 46 Ca 0.33 -0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 2nnz s ASN 46 Cb -0.20 -1.82 -0.08 0.00 0.41 0.00 0.00 41.25 39.57 2nnz s ASN 46 CO 0.20 0.04 0.91 -0.13 -1.51 0.00 0.00 177.10 176.62 2nnz s ARG 47 N 1.12 4.75 -0.03 -0.60 1.81 -1.26 -3.49 118.95 121.25 2nnz s ARG 47 Ca 0.03 1.41 -0.15 0.00 -1.72 0.00 0.00 55.73 55.29 2nnz s ARG 47 Cb -0.14 -3.31 0.03 0.00 -0.45 0.00 0.00 34.95 31.07 2nnz s ARG 47 CO 0.01 0.43 0.33 -0.46 -0.68 0.00 0.00 175.30 174.93 2nnz s TRP 48 N -0.78 -0.23 -0.83 -0.53 -0.11 -0.31 -4.99 118.94 111.17 2nnz s TRP 48 Ca 0.42 0.38 -0.18 0.00 1.22 0.00 0.00 56.10 57.94 2nnz s TRP 48 Cb -0.25 0.12 -0.23 0.00 -1.50 0.00 0.00 33.47 31.61 2nnz s TRP 48 CO 0.30 -0.38 2.04 0.41 -4.62 0.00 0.00 176.95 174.70 2nnz n GLY 49 N 1.43 -0.41 2.51 5.86 0.00 -1.26 0.12 105.19 113.44 2nnz n GLY 49 Ca -0.21 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 2nnz n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nnz n ASP 50 N 6.86 -4.42 -3.83 1.61 8.00 -1.26 -3.96 116.55 119.55 2nnz n ASP 50 Ca 0.55 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 56.03 2nnz n ASP 50 Cb 0.07 -3.72 -0.11 0.00 -0.02 0.00 0.00 41.12 37.34 2nnz n ASP 50 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2nnz s GLU 51 N -5.11 0.41 -0.04 -1.24 0.41 0.32 -3.78 118.70 109.66 2nnz s GLU 51 Ca 0.03 -0.11 -0.02 0.00 -0.41 0.00 0.00 54.97 54.47 2nnz s GLU 51 Cb -0.02 0.18 0.03 0.00 -1.78 0.00 0.00 34.13 32.54 2nnz s GLU 51 CO 0.04 -0.09 0.07 -1.50 -0.49 0.00 0.00 175.26 173.29 2nnz s ILE 52 N -0.79 -0.12 -0.06 -1.63 1.10 -1.18 -1.16 121.20 117.36 2nnz s ILE 52 Ca -0.09 0.39 0.02 0.00 -0.51 0.00 0.00 60.65 60.46 2nnz s ILE 52 Cb -0.05 -0.16 0.01 0.00 0.15 0.00 0.00 42.46 42.41 2nnz s ILE 52 CO 0.01 0.16 -0.11 -0.72 -2.11 0.00 0.00 174.94 172.18 2nnz s TYR 53 N 2.03 1.35 0.01 3.50 -0.85 -1.23 -2.47 117.35 119.70 2nnz s TYR 53 Ca 0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2nnz s TYR 53 Cb -0.12 -1.01 -0.01 0.00 0.38 0.00 0.00 41.96 41.20 2nnz s TYR 53 CO -0.03 -0.27 -0.03 -0.59 -1.52 0.00 0.00 175.55 173.11 2nnz s PHE 54 N 0.72 0.24 0.17 -3.49 -0.12 -1.21 -3.21 117.98 111.08 2nnz s PHE 54 Ca -0.14 -0.30 -0.07 0.00 -0.05 0.00 0.00 56.93 56.37 2nnz s PHE 54 Cb -0.16 -0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.01 2nnz s PHE 54 CO 0.03 -0.09 0.45 0.99 -0.05 0.00 0.00 175.22 176.55 2nnz s THR 55 N -0.81 5.06 0.00 -4.49 2.01 -1.26 -3.72 115.64 112.43 2nnz s THR 55 Ca -0.08 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2nnz s THR 55 Cb -0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.83 2nnz s THR 55 CO -0.00 0.03 0.74 0.35 -0.69 0.00 0.00 174.62 175.04 2nnz n THR 56 N 0.10 0.53 -0.37 -0.82 -2.24 -1.26 -4.41 114.28 105.81 2nnz n THR 56 Ca -0.02 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2nnz n THR 56 Cb 0.52 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 2nnz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnz n GLN 57 N -0.26 0.00 -2.93 -0.78 6.02 -1.26 -4.99 117.38 113.17 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.20 -1.84 -0.05 0.00 1.02 0.00 0.00 30.24 29.57 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nnz s VAL 58 N -3.35 4.75 -0.65 5.09 0.11 -1.26 -5.00 120.40 120.09 2nnz s VAL 58 Ca 0.00 1.10 -0.12 0.00 -2.93 0.00 0.00 61.98 60.03 2nnz s VAL 58 Cb 0.00 -4.19 0.17 0.00 -1.53 0.00 0.00 36.38 30.83 2nnz s VAL 58 CO 0.00 -0.34 0.56 0.00 -3.33 0.00 0.00 175.10 171.99 2nnz s ALA 59 N 3.06 3.75 -0.27 1.54 0.00 -1.26 -4.88 121.76 123.70 2nnz s ALA 59 Ca 0.33 -2.95 0.02 0.00 0.00 0.00 0.00 51.96 49.36 2nnz s ALA 59 Cb -0.14 -3.18 0.07 0.00 0.00 0.00 0.00 23.12 19.88 2nnz s ALA 59 CO 0.14 -2.11 -0.02 0.54 0.00 0.00 0.00 175.76 174.31 2nnz s VAL 60 N 0.75 1.74 -0.03 0.00 0.11 -1.26 -5.11 120.40 116.60 2nnz s VAL 60 Ca 0.11 -1.57 0.04 0.00 -2.93 0.00 0.00 61.98 57.63 2nnz s VAL 60 Cb -0.20 -2.07 -0.00 0.00 -1.53 0.00 0.00 36.38 32.57 2nnz s VAL 60 CO -0.03 -0.27 -0.14 -1.61 -3.33 0.00 0.00 175.10 169.72 2nnz s GLU 61 N 1.25 1.41 0.13 1.54 2.02 -1.26 -4.83 118.70 118.96 2nnz s GLU 61 Ca -0.01 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 2nnz s GLU 61 Cb -0.19 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 2nnz s GLU 61 CO -0.09 0.23 0.09 0.21 0.02 0.00 0.00 175.26 175.72 2nnz s LYS 62 N -0.01 0.94 -1.08 1.61 2.20 -1.26 -5.09 119.74 117.05 2nnz s LYS 62 Ca -0.01 -1.36 -0.06 0.00 -0.36 0.00 0.00 55.97 54.17 2nnz s LYS 62 Cb -0.09 0.27 0.29 0.00 -1.51 0.00 0.00 37.83 36.78 2nnz s LYS 62 CO 0.01 -0.28 1.21 -0.85 -0.36 0.00 0.00 175.35 175.08 2nnz n GLU 63 N -0.10 3.78 -3.55 4.03 0.00 -1.26 -4.96 120.64 118.58 2nnz n GLU 63 Ca -0.07 -4.50 -0.07 0.00 0.00 0.00 0.00 57.16 52.53 2nnz n GLU 63 Cb 0.63 -2.52 -0.02 0.00 0.00 0.00 0.00 31.44 29.53 2nnz n GLU 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2nnz s GLU 64 N -1.84 0.65 0.53 3.44 2.12 -1.26 -5.05 118.70 117.29 2nnz s GLU 64 Ca 0.31 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.39 2nnz s GLU 64 Cb -0.04 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.64 2nnz s GLU 64 CO -0.02 -0.29 0.00 -1.71 -0.54 0.00 0.00 175.26 172.70 2nnz n ASN 65 N -0.21 0.00 -1.21 -1.70 2.85 -1.26 -4.90 115.26 108.84 2nnz n ASN 65 Ca -0.06 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.38 2nnz n ASN 65 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2nnz n SER 66 N 3.92 -0.69 -4.92 1.20 7.64 -1.26 -4.92 113.62 114.58 2nnz n SER 66 Ca 0.00 -0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 2nnz n SER 66 Cb 0.00 -0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2nnz s LYS 67 N -0.26 3.24 0.00 1.43 0.00 0.19 -4.53 119.74 119.80 2nnz s LYS 67 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 55.97 55.12 2nnz s LYS 67 Cb -0.00 -2.77 0.00 0.00 0.00 0.00 0.00 37.83 35.05 2nnz s LYS 67 CO 0.08 0.38 0.25 -0.40 0.00 0.00 0.00 175.35 175.67 2nnz n ASP 68 N -1.36 0.50 -4.08 0.03 5.68 -1.26 0.31 116.55 116.37 2nnz n ASP 68 Ca -0.08 -0.76 -0.19 0.00 -0.50 0.00 0.00 54.79 53.27 2nnz n ASP 68 Cb 0.57 0.38 -0.14 0.00 -1.14 0.00 0.00 41.12 40.80 2nnz n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2nnz s VAL 69 N -0.38 0.89 0.12 2.12 1.01 -1.26 -4.47 120.40 118.43 2nnz s VAL 69 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2nnz s VAL 69 Cb 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.65 2nnz s VAL 69 CO 0.00 0.05 0.57 0.68 0.00 0.00 0.00 175.10 176.41 2nnz s VAL 70 N -0.63 0.01 0.34 2.92 -7.23 -1.26 -5.10 120.40 109.45 2nnz s VAL 70 Ca 0.01 -0.10 -0.15 0.00 -1.81 0.00 0.00 61.98 59.93 2nnz s VAL 70 Cb -0.06 -1.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 2nnz s VAL 70 CO 0.00 -0.06 0.76 -1.61 -0.31 0.00 0.00 175.10 173.89 2nnz s GLU 71 N -3.30 3.99 -0.03 4.82 2.02 -1.26 -4.94 118.70 120.01 2nnz s GLU 71 Ca -0.01 0.69 -0.36 0.00 0.02 0.00 0.00 54.97 55.31 2nnz s GLU 71 Cb -0.00 -2.40 -0.14 0.00 0.10 0.00 0.00 34.13 31.68 2nnz s GLU 71 CO -0.09 0.12 1.66 -0.11 0.02 0.00 0.00 175.26 176.85 2nnz n LEU 72 N -0.50 2.73 0.00 1.80 7.94 -1.26 -2.44 117.00 125.27 2nnz n LEU 72 Ca 0.04 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.53 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2nnz n LEU 72 CO 0.42 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 2nnz n GLY 73 N 3.70 1.57 3.67 -3.96 0.00 -1.26 -5.10 105.19 103.81 2nnz n GLY 73 Ca 0.21 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2nnz n GLY 73 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2nnz s ASP 74 N -0.33 2.86 0.15 1.61 -4.77 -1.02 -3.72 116.67 111.45 2nnz s ASP 74 Ca 0.00 1.50 0.10 0.00 -3.30 0.00 0.00 52.55 50.85 2nnz s ASP 74 Cb 0.00 -2.17 -0.04 0.00 -1.09 0.00 0.00 42.92 39.62 2nnz s ASP 74 CO 0.00 -3.02 -0.22 -0.69 0.70 0.00 0.00 175.17 171.93 2nnz s VAL 75 N -2.84 2.02 -0.06 2.11 1.01 -0.74 -4.65 120.40 117.25 2nnz s VAL 75 Ca 0.65 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.67 2nnz s VAL 75 Cb -0.20 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2nnz s VAL 75 CO 0.58 -0.11 0.36 0.00 0.00 0.00 0.00 175.10 175.93 2nnz s ALA 76 N -1.49 -0.89 -0.21 5.51 0.00 -1.25 -2.45 121.76 120.98 2nnz s ALA 76 Ca 0.14 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 2nnz s ALA 76 Cb -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2nnz s ALA 76 CO 0.07 -0.23 0.22 -0.47 0.00 0.00 0.00 175.76 175.34 2nnz s TYR 77 N -0.74 3.37 -0.02 0.00 6.14 0.47 -2.81 117.35 123.76 2nnz s TYR 77 Ca -0.08 0.39 -0.30 0.00 0.64 0.00 0.00 57.07 57.71 2nnz s TYR 77 Cb -0.04 -2.31 -0.06 0.00 0.42 0.00 0.00 41.96 39.97 2nnz s TYR 77 CO 0.03 0.13 1.54 -0.46 0.64 0.00 0.00 175.55 177.43 2nnz s TRP 78 N 0.86 2.41 -0.01 4.97 -0.11 0.22 -1.59 118.94 125.70 2nnz s TRP 78 Ca 0.11 0.48 -0.02 0.00 1.22 0.00 0.00 56.10 57.89 2nnz s TRP 78 Cb -0.13 -3.81 -0.01 0.00 -1.50 0.00 0.00 33.47 28.01 2nnz s TRP 78 CO 0.04 -3.24 0.42 0.82 -4.62 0.00 0.00 176.95 170.37 2nnz h ILE 79 N 5.21 0.00 -0.14 5.86 2.04 -1.83 -2.49 117.51 126.16 2nnz h ILE 79 Ca -0.38 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2nnz h ILE 79 Cb 1.18 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2nnz h ILE 79 CO 0.93 0.00 0.04 -2.65 0.00 0.00 0.00 178.15 176.47 2nnz n PRO 80 N -2.46 0.21 0.00 2.37 -0.02 -1.26 -0.37 135.00 133.47 2nnz n PRO 80 Ca -0.01 -1.45 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 2nnz n PRO 80 Cb 0.03 -3.81 0.00 0.00 -0.02 0.00 0.00 33.50 29.70 2nnz n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nnz n GLY 81 N 6.27 0.49 4.05 -1.23 0.00 -1.26 -4.84 105.19 108.67 2nnz n GLY 81 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -3.77 -4.92 1.61 4.01 0.51 -4.95 118.16 110.65 2nnz n LYS 82 Ca 0.00 0.44 -0.33 0.00 -0.51 0.00 0.00 58.31 57.91 2nnz n LYS 82 Cb 0.00 -5.21 -0.14 0.00 -0.51 0.00 0.00 35.03 29.17 2nnz n LYS 82 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nnz s ALA 83 N -3.23 2.56 0.26 7.82 0.00 -0.96 -4.70 121.76 123.50 2nnz s ALA 83 Ca 0.69 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 2nnz s ALA 83 Cb -0.37 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 2nnz s ALA 83 CO 0.85 0.42 0.77 0.42 0.00 0.00 0.00 175.76 178.22 2nnz s ILE 84 N -0.24 4.52 -0.05 0.00 1.01 -1.24 0.71 121.20 125.90 2nnz s ILE 84 Ca 0.01 1.33 -0.02 0.00 0.00 0.00 0.00 60.65 61.96 2nnz s ILE 84 Cb -0.13 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.54 2nnz s ILE 84 CO 0.03 0.11 0.11 0.00 0.00 0.00 0.00 174.94 175.19 2nnz s LEU 86 N 1.01 4.40 -0.01 0.00 1.43 -1.03 -3.87 118.68 120.61 2nnz s LEU 86 Ca -0.08 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2nnz s LEU 86 Cb -0.11 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2nnz s LEU 86 CO -0.04 0.37 -0.04 0.72 0.23 0.00 0.00 176.35 177.58 2nnz s PHE 87 N -0.93 0.42 -0.39 0.29 -0.12 -1.26 -3.08 117.98 112.92 2nnz s PHE 87 Ca 0.17 -0.08 0.11 0.00 -0.05 0.00 0.00 56.93 57.08 2nnz s PHE 87 Cb -0.13 -0.31 0.40 0.00 -0.63 0.00 0.00 43.02 42.35 2nnz s PHE 87 CO 0.06 -0.03 1.26 0.34 -0.05 0.00 0.00 175.22 176.80 2nnz n PHE 88 N 3.18 -1.77 0.00 3.49 7.35 -1.25 -4.55 117.46 123.92 2nnz n PHE 88 Ca -0.15 -2.12 0.00 0.00 -0.76 0.00 0.00 57.45 54.41 2nnz n PHE 88 Cb 0.57 1.20 0.00 0.00 0.35 0.00 0.00 39.48 41.60 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nnz n GLY 89 N -0.43 -1.48 0.10 7.13 0.00 -1.26 -5.04 105.19 104.21 2nnz n GLY 89 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 2nnz n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nnz n LYS 90 N 0.00 1.63 -3.86 1.61 -0.00 -1.26 -4.76 118.16 111.52 2nnz n LYS 90 Ca 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.31 58.17 2nnz n LYS 90 Cb 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 35.03 35.08 2nnz n LYS 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2nnz s THR 91 N -1.22 0.00 0.45 0.58 -4.23 -1.25 -4.57 115.64 105.39 2nnz s THR 91 Ca 0.00 -0.69 0.41 0.00 -1.18 0.00 0.00 61.69 60.23 2nnz s THR 91 Cb 0.00 -2.81 0.60 0.00 1.34 0.00 0.00 72.50 71.64 2nnz s THR 91 CO 0.00 0.00 1.28 -2.65 -0.54 0.00 0.00 174.62 172.71 2nnz n PRO 92 N -0.64 -0.00 -3.14 3.99 -0.01 -1.26 -1.62 135.00 132.31 2nnz n PRO 92 Ca -0.04 0.89 -0.22 0.00 -0.01 0.00 0.00 63.50 64.11 2nnz n PRO 92 Cb 0.60 -2.05 -0.06 0.00 -0.01 0.00 0.00 33.50 31.98 2nnz n PRO 92 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 175.50 175.93 2nnz n ILE 93 N -3.59 -0.61 -0.33 4.25 -0.00 -1.26 -4.98 119.36 112.84 2nnz n ILE 93 Ca 0.36 -3.76 0.23 0.00 -0.00 0.00 0.00 62.75 59.58 2nnz n ILE 93 Cb 1.65 -1.54 0.46 0.00 -0.00 0.00 0.00 39.64 40.21 2nnz n ILE 93 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2nnz h SER 94 N 3.96 0.47 -2.84 7.28 0.02 -1.58 -3.36 113.55 117.51 2nnz h SER 94 Ca 0.05 0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 60.61 2nnz h SER 94 Cb 0.90 0.15 0.18 0.00 0.14 0.00 0.00 62.40 63.77 2nnz h SER 94 CO 0.45 -0.13 -0.59 0.47 -1.14 0.00 0.00 176.83 175.88 2nnz n ASP 95 N -5.06 -1.77 -3.47 3.07 8.00 -1.26 -3.00 116.55 113.06 2nnz n ASP 95 Ca 0.31 0.65 -0.18 0.00 0.71 0.00 0.00 54.79 56.27 2nnz n ASP 95 Cb 0.95 -1.11 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnz n ASP 96 N 0.71 -2.81 -1.18 -2.24 8.00 -1.26 -4.69 116.55 113.08 2nnz n ASP 96 Ca 0.10 -0.70 0.14 0.00 0.71 0.00 0.00 54.79 55.05 2nnz n ASP 96 Cb 0.49 -4.84 -0.08 0.00 -0.02 0.00 0.00 41.12 36.67 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nnz n LYS 97 N -4.00 -2.72 -1.67 -1.24 4.01 -1.16 -4.68 118.16 106.70 2nnz n LYS 97 Ca -0.24 2.20 -0.45 0.00 -0.51 0.00 0.00 58.31 59.30 2nnz n LYS 97 Cb 0.66 -3.18 -0.04 0.00 -0.51 0.00 0.00 35.03 31.96 2nnz n LYS 97 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2nnz n ILE 98 N -3.94 0.64 -3.90 -0.18 5.41 -1.25 -4.68 119.36 111.47 2nnz n ILE 98 Ca -0.07 -0.12 -0.33 0.00 1.00 0.00 0.00 62.75 63.23 2nnz n ILE 98 Cb 0.56 -2.10 -0.13 0.00 -0.71 0.00 0.00 39.64 37.26 2nnz n ILE 98 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2nnz s ARG 99 N 4.07 1.76 0.37 0.38 3.52 -1.26 -4.71 118.95 123.09 2nnz s ARG 99 Ca 0.90 -1.91 0.10 0.00 -0.13 0.00 0.00 55.73 54.69 2nnz s ARG 99 Cb -0.55 -3.39 0.74 0.00 -1.56 0.00 0.00 34.95 30.18 2nnz s ARG 99 CO 0.46 -1.01 1.87 -1.00 -0.81 0.00 0.00 175.30 174.80 2nnz h PRO 100 N 7.73 0.16 0.00 5.12 0.13 -1.93 -3.39 132.00 139.82 2nnz h PRO 100 Ca -0.08 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2nnz h PRO 100 Cb 1.02 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2nnz h PRO 100 CO 0.61 0.39 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 2nnz n ALA 101 N -2.48 0.00 0.57 -0.56 0.00 -1.26 -4.87 120.51 111.90 2nnz n ALA 101 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2nnz n ALA 101 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.79 2nnz n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nnz n SER 102 N 0.00 1.49 -2.68 0.00 7.64 -1.26 -4.76 113.62 114.05 2nnz n SER 102 Ca 0.00 -1.25 -0.05 0.00 1.01 0.00 0.00 58.87 58.59 2nnz n SER 102 Cb 0.00 0.41 0.06 0.00 -1.01 0.00 0.00 64.21 63.67 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnz n ALA 103 N -0.08 -3.29 -2.35 -0.43 0.00 -1.26 -4.72 120.51 108.40 2nnz n ALA 103 Ca 0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 2nnz n ALA 103 Cb 0.28 -2.94 -0.15 0.00 0.00 0.00 0.00 19.45 16.64 2nnz n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nnz s VAL 104 N 0.45 2.02 0.44 0.00 -7.23 0.15 -3.69 120.40 112.54 2nnz s VAL 104 Ca 0.26 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 59.04 2nnz s VAL 104 Cb 0.18 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 35.32 2nnz s VAL 104 CO -0.11 0.46 0.93 0.20 -0.31 0.00 0.00 175.10 176.28 2nnz s ASN 105 N -0.87 6.85 -1.11 4.85 0.01 -0.62 0.55 114.94 124.59 2nnz s ASN 105 Ca 0.10 1.61 -0.19 0.00 -0.71 0.00 0.00 52.86 53.68 2nnz s ASN 105 Cb -0.10 -2.51 0.10 0.00 0.41 0.00 0.00 41.25 39.15 2nnz s ASN 105 CO 0.00 -0.39 1.44 -0.69 -1.51 0.00 0.00 177.10 175.95 2nnz s VAL 106 N -2.26 4.41 -1.05 1.60 1.01 -1.26 -0.39 120.40 122.46 2nnz s VAL 106 Ca 0.60 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2nnz s VAL 106 Cb -0.09 -4.99 0.00 0.00 0.00 0.00 0.00 36.38 31.29 2nnz s VAL 106 CO 0.18 -1.79 0.21 0.00 0.00 0.00 0.00 175.10 173.70 2nnz n ILE 107 N 5.94 0.00 0.00 2.22 0.00 -1.02 -4.73 119.36 121.76 2nnz n ILE 107 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.10 2nnz n ILE 107 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 39.64 39.91 2nnz n ILE 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nnz n GLY 108 N 0.28 0.24 3.63 4.50 0.00 -1.21 -4.22 105.19 108.40 2nnz n GLY 108 Ca 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 2nnz n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnz s ARG 109 N 0.00 1.54 -0.28 1.61 0.52 -1.23 -1.79 118.95 119.32 2nnz s ARG 109 Ca 0.00 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 53.98 2nnz s ARG 109 Cb 0.00 0.52 -0.02 0.00 0.52 0.00 0.00 34.95 35.96 2nnz s ARG 109 CO 0.00 -0.66 0.48 0.42 0.02 0.00 0.00 175.30 175.55 2nnz s ILE 110 N -3.94 5.09 0.00 1.52 1.01 -1.24 -1.44 121.20 122.19 2nnz s ILE 110 Ca 0.15 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2nnz s ILE 110 Cb -0.02 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2nnz s ILE 110 CO 0.04 0.04 0.68 1.33 0.00 0.00 0.00 174.94 177.03 2nnz n VAL 111 N 5.21 0.00 0.00 2.92 0.24 -1.24 -4.95 118.33 120.50 2nnz n VAL 111 Ca -0.05 1.15 0.00 0.00 -2.04 0.00 0.00 64.34 63.40 2nnz n VAL 111 Cb 0.50 -2.10 0.00 0.00 -1.47 0.00 0.00 33.84 30.77 2nnz n VAL 111 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2nnz n ASN 112 N -1.39 0.00 -0.59 -1.34 5.15 -1.26 -4.95 115.26 110.88 2nnz n ASN 112 Ca 0.00 0.00 0.47 0.00 -0.60 0.00 0.00 54.58 54.45 2nnz n ASN 112 Cb 0.00 0.00 0.76 0.00 -0.53 0.00 0.00 39.78 40.01 2nnz n ASN 112 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2nnz h SER 113 N 0.00 0.10 -3.58 1.20 0.02 -1.92 -3.39 113.55 105.97 2nnz h SER 113 Ca 0.00 0.07 -0.50 0.00 -0.84 0.00 0.00 61.79 60.52 2nnz h SER 113 Cb 0.00 0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2nnz h SER 113 CO 0.00 -0.11 0.07 -0.32 -1.14 0.00 0.00 176.83 175.32 2nnz s MET 114 N -5.05 3.72 0.00 3.45 -2.45 -1.26 -4.49 119.30 113.22 2nnz s MET 114 Ca -0.06 0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.73 2nnz s MET 114 Cb 0.29 -2.44 0.00 0.00 1.25 0.00 0.00 34.83 33.93 2nnz s MET 114 CO 0.86 -0.01 0.00 0.39 1.05 0.00 0.00 175.02 177.31 2nnz n GLU 115 N -1.34 0.00 -2.74 4.11 1.02 -1.26 -5.00 120.64 115.42 2nnz n GLU 115 Ca 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 2nnz n GLU 115 Cb 0.54 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.00 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nnz n GLY 116 N 3.08 1.64 0.33 0.62 0.00 -1.26 -4.93 105.19 104.67 2nnz n GLY 116 Ca 0.00 -1.17 0.21 0.00 0.00 0.00 0.00 46.02 45.05 2nnz n GLY 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nnz h LEU 117 N 2.81 0.48 -1.11 0.99 5.85 -1.95 0.16 115.31 122.55 2nnz h LEU 117 Ca -0.12 0.18 0.24 0.00 0.84 0.00 0.00 57.88 59.01 2nnz h LEU 117 Cb 1.22 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2nnz h LEU 117 CO 0.35 -0.08 1.06 0.07 -0.34 0.00 0.00 178.44 179.50 2nnz h LYS 118 N 0.37 0.00 -1.22 1.25 5.09 -1.93 0.63 116.57 120.76 2nnz h LYS 118 Ca 0.69 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 61.09 2nnz h LYS 118 Cb 1.48 0.00 -0.17 0.00 0.10 0.00 0.00 32.23 33.64 2nnz h LYS 118 CO -0.58 0.00 0.44 0.41 -2.09 0.00 0.00 179.45 177.62 2nnz n GLY 119 N -1.65 3.92 3.78 0.07 0.00 0.58 -4.54 105.19 107.34 2nnz n GLY 119 Ca 0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2nnz n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nnz s VAL 120 N -2.30 3.39 0.43 1.61 -7.23 0.22 -5.01 120.40 111.49 2nnz s VAL 120 Ca 0.35 0.65 -0.23 0.00 -1.81 0.00 0.00 61.98 60.94 2nnz s VAL 120 Cb 0.28 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.96 2nnz s VAL 120 CO 0.03 -0.39 1.08 0.00 -0.31 0.00 0.00 175.10 175.50 2nnz s ALA 121 N -2.35 3.03 -0.10 1.32 0.00 -1.26 -4.93 121.76 117.47 2nnz s ALA 121 Ca 0.66 0.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 2nnz s ALA 121 Cb -0.19 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 2nnz s ALA 121 CO 0.40 -0.34 2.05 -0.40 0.00 0.00 0.00 175.76 177.46 2nnz n ASP 122 N -0.30 3.58 -1.92 0.00 5.68 -1.26 -4.24 116.55 118.09 2nnz n ASP 122 Ca 0.06 0.68 -0.02 0.00 -0.50 0.00 0.00 54.79 55.01 2nnz n ASP 122 Cb 0.50 -1.48 -0.02 0.00 -1.14 0.00 0.00 41.12 38.98 2nnz n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nnz n GLY 123 N 5.03 -4.08 3.42 6.12 0.00 -1.26 -4.99 105.19 109.44 2nnz n GLY 123 Ca 0.25 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.56 2nnz n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nnz s GLU 124 N -0.96 0.95 1.08 1.61 -1.05 -1.23 -5.02 118.70 114.08 2nnz s GLU 124 Ca -0.11 0.03 -0.17 0.00 -0.15 0.00 0.00 54.97 54.57 2nnz s GLU 124 Cb 0.01 0.44 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 2nnz s GLU 124 CO 0.29 -0.30 0.09 0.45 0.95 0.00 0.00 175.26 176.74 2nnz n SER 125 N 0.91 -2.32 -3.65 0.83 2.88 -1.26 -1.58 113.62 109.42 2nnz n SER 125 Ca -0.20 -0.02 -0.07 0.00 -1.33 0.00 0.00 58.87 57.25 2nnz n SER 125 Cb 0.57 -1.01 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 2nnz n SER 125 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2nnz s VAL 126 N -2.27 -0.18 -0.24 2.46 1.01 0.17 -4.22 120.40 117.13 2nnz s VAL 126 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2nnz s VAL 126 Cb -0.14 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.41 2nnz s VAL 126 CO 0.66 0.01 -0.01 0.68 0.00 0.00 0.00 175.10 176.45 2nnz s VAL 127 N 1.81 1.30 -0.06 2.92 -7.23 -1.24 0.13 120.40 118.02 2nnz s VAL 127 Ca -0.09 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 2nnz s VAL 127 Cb -0.07 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2nnz s VAL 127 CO -0.18 -0.22 0.82 -0.69 -0.31 0.00 0.00 175.10 174.52 2nnz s VAL 128 N 1.48 4.96 -0.18 1.32 1.01 -0.87 -3.84 120.40 124.28 2nnz s VAL 128 Ca -0.02 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 2nnz s VAL 128 Cb -0.18 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2nnz s VAL 128 CO -0.09 0.19 0.43 -1.83 0.00 0.00 0.00 175.10 173.79 2nnz s GLU 129 N 1.08 0.40 -1.08 2.72 -1.05 -0.73 -1.23 118.70 118.81 2nnz s GLU 129 Ca 0.43 0.85 -0.22 0.00 -0.15 0.00 0.00 54.97 55.88 2nnz s GLU 129 Cb -0.19 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.53 2nnz s GLU 129 CO 0.20 -0.17 1.80 0.50 0.95 0.00 0.00 175.26 178.54 2nnz s ARG 130 N 1.63 3.02 0.00 -4.83 3.00 -1.26 0.11 118.95 120.61 2nnz s ARG 130 Ca -0.08 -1.03 0.00 0.00 -1.00 0.00 0.00 55.73 53.62 2nnz s ARG 130 Cb -0.09 -5.26 0.00 0.00 0.00 0.00 0.00 34.95 29.60 2nnz s ARG 130 CO -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 175.30 172.07