#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 2.63 0.36 -5.12 0.00 -1.26 -5.01 105.19 96.79 2nnz n GLY 2 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2nnz n GLY 2 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2nnz h GLU 3 N 0.00 1.08 0.00 1.61 4.11 -2.10 -3.44 114.58 115.84 2nnz h GLU 3 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2nnz h GLU 3 Cb 0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2nnz h GLU 3 CO 0.00 0.71 0.00 0.54 0.07 0.00 0.00 179.01 180.33 2nnz n ARG 4 N -4.43 0.00 0.00 1.06 5.12 -1.26 -5.12 116.66 112.03 2nnz n ARG 4 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2nnz n ARG 4 Cb 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nnz n GLY 5 N 0.33 -1.33 2.34 -0.13 0.00 -1.26 -5.07 105.19 100.06 2nnz n GLY 5 Ca 0.00 0.90 -0.26 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 -1.09 -1.93 1.61 0.24 -1.26 -2.68 118.33 113.22 2nnz n VAL 6 Ca 0.00 -3.55 -0.02 0.00 -2.04 0.00 0.00 64.34 58.73 2nnz n VAL 6 Cb 0.00 -1.71 -0.00 0.00 -1.47 0.00 0.00 33.84 30.66 2nnz n VAL 6 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2nnz n GLU 7 N 2.49 0.13 -3.77 7.34 0.28 -1.26 -5.05 120.64 120.81 2nnz n GLU 7 Ca 0.28 -0.32 -0.37 0.00 -0.16 0.00 0.00 57.16 56.59 2nnz n GLU 7 Cb 0.49 0.39 -0.12 0.00 1.43 0.00 0.00 31.44 33.63 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2nnz s MET 8 N 0.01 2.39 0.05 3.44 1.75 -1.24 -4.99 119.30 120.71 2nnz s MET 8 Ca 0.01 -1.45 0.08 0.00 -1.25 0.00 0.00 55.69 53.08 2nnz s MET 8 Cb 0.04 -3.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.18 2nnz s MET 8 CO -0.01 -0.84 -0.20 -0.98 -0.65 0.00 0.00 175.02 172.35 2nnz s ARG 9 N 1.29 1.99 0.32 4.11 1.04 -1.26 0.06 118.95 126.51 2nnz s ARG 9 Ca 0.01 -1.02 0.09 0.00 -1.04 0.00 0.00 55.73 53.77 2nnz s ARG 9 Cb -0.21 -2.14 -0.05 0.00 -2.04 0.00 0.00 34.95 30.50 2nnz s ARG 9 CO -0.00 0.53 -0.02 -0.48 -0.04 0.00 0.00 175.30 175.28 2nnz s LEU 10 N -1.46 2.95 0.04 -1.89 2.34 -0.09 -4.36 118.68 116.21 2nnz s LEU 10 Ca 0.14 -0.96 0.03 0.00 0.06 0.00 0.00 54.13 53.40 2nnz s LEU 10 Cb -0.10 -1.35 -0.04 0.00 -0.56 0.00 0.00 46.19 44.14 2nnz s LEU 10 CO 0.05 -0.17 0.01 -0.60 -1.06 0.00 0.00 176.35 174.58 2nnz s ARG 11 N -3.68 2.70 -0.27 1.48 3.00 0.30 -2.69 118.95 119.79 2nnz s ARG 11 Ca 0.34 -0.71 -0.03 0.00 -1.00 0.00 0.00 55.73 54.33 2nnz s ARG 11 Cb -0.01 -2.62 0.11 0.00 0.00 0.00 0.00 34.95 32.42 2nnz s ARG 11 CO 0.19 0.59 0.21 0.42 0.00 0.00 0.00 175.30 176.71 2nnz s ILE 12 N -1.20 -0.26 0.18 4.11 1.01 -0.94 -1.71 121.20 122.38 2nnz s ILE 12 Ca 0.23 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2nnz s ILE 12 Cb -0.12 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2nnz s ILE 12 CO 0.14 -0.50 0.29 0.00 0.00 0.00 0.00 174.94 174.88 2nnz s ARG 13 N 2.25 3.39 -0.01 2.79 1.70 -1.25 -2.32 118.95 125.51 2nnz s ARG 13 Ca 0.08 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 2nnz s ARG 13 Cb -0.15 -2.92 0.01 0.00 -0.57 0.00 0.00 34.95 31.33 2nnz s ARG 13 CO -0.29 0.49 0.01 -0.06 -1.08 0.00 0.00 175.30 174.37 2nnz s PHE 14 N -1.81 0.05 0.56 5.89 0.40 0.37 -3.80 117.98 119.65 2nnz s PHE 14 Ca 0.34 0.05 0.43 0.00 -0.60 0.00 0.00 56.93 57.15 2nnz s PHE 14 Cb -0.10 -0.14 1.57 0.00 0.51 0.00 0.00 43.02 44.85 2nnz s PHE 14 CO 0.28 -0.05 1.61 0.93 0.70 0.00 0.00 175.22 178.69 2nnz h GLU 15 N 6.73 0.00 0.00 0.44 3.07 -1.96 0.51 114.58 123.37 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 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 2nnz h GLU 15 CO 0.49 0.00 -0.25 0.45 -1.40 0.00 0.00 179.01 178.30 2nnz n SER 16 N -3.89 1.70 -3.62 1.42 2.88 -1.26 -5.06 113.62 105.80 2nnz n SER 16 Ca 0.35 -2.97 -0.04 0.00 -1.33 0.00 0.00 58.87 54.88 2nnz n SER 16 Cb 1.70 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 64.72 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nnz s ALA 17 N -2.22 -2.07 0.01 -1.46 0.00 0.18 -4.93 121.76 111.27 2nnz s ALA 17 Ca 0.27 1.75 0.05 0.00 0.00 0.00 0.00 51.96 54.03 2nnz s ALA 17 Cb 0.25 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2nnz s ALA 17 CO -0.01 -0.36 -0.15 -1.83 0.00 0.00 0.00 175.76 173.41 2nnz s GLU 18 N -1.45 1.10 -0.10 0.00 -1.05 -1.26 0.14 118.70 116.08 2nnz s GLU 18 Ca 0.07 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 2nnz s GLU 18 Cb -0.01 -1.10 0.09 0.00 -0.44 0.00 0.00 34.13 32.67 2nnz s GLU 18 CO -0.05 0.29 0.78 0.00 0.95 0.00 0.00 175.26 177.24 2nnz s GLU 20 N -1.06 1.18 -0.10 0.00 2.02 -1.25 -2.21 118.70 117.27 2nnz s GLU 20 Ca -0.07 -1.47 -0.17 0.00 0.02 0.00 0.00 54.97 53.28 2nnz s GLU 20 Cb -0.00 -0.91 0.04 0.00 0.10 0.00 0.00 34.13 33.35 2nnz s GLU 20 CO 0.07 0.15 0.42 0.54 0.02 0.00 0.00 175.26 176.46 2nnz s VAL 21 N -2.92 0.02 0.55 2.63 0.11 -1.10 -3.61 120.40 116.09 2nnz s VAL 21 Ca 0.18 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 2nnz s VAL 21 Cb -0.00 -0.65 0.10 0.00 -1.53 0.00 0.00 36.38 34.29 2nnz s VAL 21 CO 0.04 -0.08 0.76 -0.62 -3.33 0.00 0.00 175.10 171.87 2nnz n GLU 22 N 2.15 0.43 -3.68 1.54 1.02 -0.90 -0.91 120.64 120.29 2nnz n GLU 22 Ca -0.16 -2.62 -0.15 0.00 -0.02 0.00 0.00 57.16 54.20 2nnz n GLU 22 Cb 0.57 -0.34 -0.08 0.00 -0.02 0.00 0.00 31.44 31.57 2nnz n GLU 22 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2nnz s LEU 23 N 0.00 0.25 0.08 -4.62 2.96 0.11 -3.70 118.68 113.76 2nnz s LEU 23 Ca 0.55 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.99 2nnz s LEU 23 Cb -0.04 1.73 -0.03 0.00 0.50 0.00 0.00 46.19 48.35 2nnz s LEU 23 CO 0.35 -0.44 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.43 2nnz s TYR 24 N -0.99 1.75 -0.97 5.38 2.02 -1.26 -3.62 117.35 119.67 2nnz s TYR 24 Ca -0.10 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 2nnz s TYR 24 Cb -0.03 -0.99 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 2nnz s TYR 24 CO 0.05 0.16 0.89 0.39 -1.57 0.00 0.00 175.55 175.47 2nnz n GLU 25 N 1.38 0.00 -0.32 -0.62 1.02 -1.09 -3.14 120.64 117.87 2nnz n GLU 25 Ca -0.19 0.39 0.36 0.00 -0.02 0.00 0.00 57.16 57.70 2nnz n GLU 25 Cb 0.54 -1.56 0.70 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.00 3.49 4.11 -1.92 0.42 114.58 120.68 2nnz h GLU 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2nnz h GLU 26 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2nnz h GLU 26 CO 0.00 0.00 -0.14 2.35 0.07 0.00 0.00 179.01 181.29 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 -0.00 -1.84 -3.44 115.95 112.73 2nnz h TRP 27 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.47 2nnz h TRP 27 Cb 2.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.73 2nnz h TRP 27 CO 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 2nnz n ALA 28 N -2.87 0.00 -0.39 2.65 0.00 0.14 -4.75 120.51 115.29 2nnz n ALA 28 Ca -0.06 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.70 2nnz n ALA 28 Cb 0.21 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.28 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 0.18 0.20 0.00 0.10 -1.93 -0.07 132.00 130.48 2nnz h PRO 29 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 66.08 2nnz h PRO 29 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 31.00 31.06 2nnz h PRO 29 CO 0.00 0.12 -0.10 0.93 0.10 0.00 0.00 178.00 179.06 2nnz h GLU 30 N 0.19 -0.26 -0.43 1.05 3.07 -1.96 -2.74 114.58 113.50 2nnz h GLU 30 Ca 0.69 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.57 2nnz h GLU 30 Cb 2.16 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 30.11 2nnz h GLU 30 CO -0.28 -0.15 0.26 1.79 -1.40 0.00 0.00 179.01 179.23 2nnz h THR 31 N -0.29 1.14 -1.02 1.13 1.35 -1.40 -1.95 112.91 111.87 2nnz h THR 31 Ca -0.03 -0.33 0.29 0.00 -0.55 0.00 0.00 66.41 65.79 2nnz h THR 31 Cb 0.23 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.18 2nnz h THR 31 CO 0.04 0.14 0.73 0.58 -0.25 0.00 0.00 175.52 176.77 2nnz h VAL 32 N 0.57 0.50 0.00 6.82 2.07 -1.29 0.45 116.25 125.37 2nnz h VAL 32 Ca 0.15 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2nnz h VAL 32 Cb 0.01 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2nnz h VAL 32 CO -0.03 0.01 -0.17 -0.09 0.02 0.00 0.00 177.57 177.31 2nnz h ARG 33 N 0.03 0.00 -0.02 1.57 9.65 -1.05 -2.48 114.38 122.09 2nnz h ARG 33 Ca 0.49 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.25 2nnz h ARG 33 Cb 1.91 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.49 2nnz h ARG 33 CO -0.02 0.17 -0.44 0.00 2.80 0.00 0.00 179.97 182.48 2nnz h ALA 34 N 1.83 0.08 -0.12 2.80 0.00 -0.19 -2.10 119.26 121.56 2nnz h ALA 34 Ca -0.00 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2nnz h ALA 34 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2nnz h ALA 34 CO 0.02 0.24 -0.12 0.82 0.00 0.00 0.00 179.25 180.21 2nnz h ILE 35 N -0.22 0.66 0.00 0.00 1.08 -1.44 0.29 117.51 117.88 2nnz h ILE 35 Ca -0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2nnz h ILE 35 Cb 1.14 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2nnz h ILE 35 CO 0.09 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.46 2nnz h ALA 36 N 0.91 1.72 0.00 1.87 0.00 -1.53 -0.48 119.26 121.76 2nnz h ALA 36 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2nnz h ALA 36 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2nnz h ALA 36 CO -0.21 0.11 -0.29 0.22 0.00 0.00 0.00 179.25 179.09 2nnz h ASP 37 N 0.00 0.00 -2.00 0.00 3.58 -0.29 -3.25 116.42 114.47 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 0.17 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 40.96 2nnz h ASP 37 CO 0.01 0.29 1.05 0.00 -2.88 0.00 0.00 179.24 177.71 2nnz n ALA 38 N -2.24 6.46 -1.00 -0.78 0.00 -0.19 -5.01 120.51 117.76 2nnz n ALA 38 Ca 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2nnz n ALA 38 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -0.41 0.00 -1.65 0.00 4.77 -1.23 -4.57 117.00 113.92 2nnz n LEU 39 Ca 0.53 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2nnz n LEU 39 Cb 0.25 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2nnz n LEU 39 CO 0.51 -0.47 0.71 -2.65 -1.33 0.00 0.00 177.39 174.16 2nnz n PRO 40 N -0.02 0.00 -3.76 3.23 -0.02 -0.39 -4.53 135.00 129.51 2nnz n PRO 40 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2nnz n PRO 40 Cb 0.00 -0.57 -0.08 0.00 -0.02 0.00 0.00 33.50 32.82 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 2.56 0.06 0.06 4.25 1.01 -0.49 -4.96 121.20 123.70 2nnz s ILE 41 Ca 0.47 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 2nnz s ILE 41 Cb -0.55 -0.69 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 2nnz s ILE 41 CO 0.24 -0.29 0.71 -0.54 0.00 0.00 0.00 174.94 175.06 2nnz s LYS 42 N -1.60 4.44 -0.01 2.79 1.02 -1.26 -1.92 119.74 123.21 2nnz s LYS 42 Ca -0.12 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.77 2nnz s LYS 42 Cb -0.04 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.03 0.40 0.19 -1.54 -0.92 0.00 0.00 175.35 173.50 2nnz s SER 43 N -0.43 -0.05 -0.19 2.83 1.04 0.34 -4.89 113.70 112.36 2nnz s SER 43 Ca 0.35 -0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 2nnz s SER 43 Cb -0.20 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.22 -0.36 0.10 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.23 5.07 -0.12 2.02 2.01 -1.26 0.19 115.64 122.32 2nnz s THR 44 Ca -0.13 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 2nnz s THR 44 Cb -0.06 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2nnz s THR 44 CO 0.02 0.44 0.44 0.00 -0.69 0.00 0.00 174.62 174.83 2nnz s ALA 45 N 0.43 3.51 -0.15 7.40 0.00 -0.87 -4.32 121.76 127.77 2nnz s ALA 45 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2nnz s ALA 45 Cb -0.12 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2nnz s ALA 45 CO -0.00 0.05 0.22 -0.80 0.00 0.00 0.00 175.76 175.23 2nnz s ASN 46 N 0.47 6.40 -0.18 0.00 0.01 -1.21 -3.31 114.94 117.12 2nnz s ASN 46 Ca 0.24 0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 52.76 2nnz s ASN 46 Cb -0.15 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 2nnz s ASN 46 CO 0.09 0.21 0.13 -0.13 -1.51 0.00 0.00 177.10 175.89 2nnz s ARG 47 N -0.03 3.96 -0.07 -0.60 1.81 -1.26 -3.74 118.95 119.02 2nnz s ARG 47 Ca 0.14 -0.19 -0.26 0.00 -1.72 0.00 0.00 55.73 53.70 2nnz s ARG 47 Cb -0.13 -3.35 0.06 0.00 -0.45 0.00 0.00 34.95 31.08 2nnz s ARG 47 CO 0.03 0.44 0.59 -0.46 -0.68 0.00 0.00 175.30 175.22 2nnz s TRP 48 N -0.06 -0.56 -0.20 -0.53 -0.00 -0.90 -4.93 118.94 111.76 2nnz s TRP 48 Ca 0.10 1.03 -0.02 0.00 -0.00 0.00 0.00 56.10 57.21 2nnz s TRP 48 Cb -0.11 0.31 -0.07 0.00 -0.00 0.00 0.00 33.47 33.60 2nnz s TRP 48 CO -0.00 -0.51 0.51 0.41 -0.00 0.00 0.00 176.95 177.36 2nnz n GLY 49 N 1.30 -0.10 4.59 5.86 0.00 -1.26 -0.20 105.19 115.37 2nnz n GLY 49 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2nnz n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nnz n ASP 50 N 1.46 0.00 -4.65 1.61 2.03 -1.26 -3.43 116.55 112.31 2nnz n ASP 50 Ca 0.14 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 2nnz n ASP 50 Cb 0.07 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2nnz s GLU 51 N 0.00 4.06 -0.17 -0.67 2.12 0.72 -4.64 118.70 120.11 2nnz s GLU 51 Ca 0.00 2.39 -0.00 0.00 0.36 0.00 0.00 54.97 57.72 2nnz s GLU 51 Cb 0.00 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.31 2nnz s GLU 51 CO 0.00 -1.03 -0.05 -1.50 -0.54 0.00 0.00 175.26 172.14 2nnz s ILE 52 N 4.66 1.12 -0.09 -3.70 1.10 -1.26 -2.11 121.20 120.92 2nnz s ILE 52 Ca 0.84 -0.67 0.02 0.00 -0.51 0.00 0.00 60.65 60.33 2nnz s ILE 52 Cb -0.38 -1.31 0.01 0.00 0.15 0.00 0.00 42.46 40.93 2nnz s ILE 52 CO 0.37 0.10 -0.14 -0.72 -2.11 0.00 0.00 174.94 172.44 2nnz s TYR 53 N 1.62 1.80 0.03 3.50 -0.85 -1.25 -2.97 117.35 119.24 2nnz s TYR 53 Ca 0.00 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.79 2nnz s TYR 53 Cb -0.16 -1.31 -0.02 0.00 0.38 0.00 0.00 41.96 40.86 2nnz s TYR 53 CO -0.08 -0.41 -0.08 -0.59 -1.52 0.00 0.00 175.55 172.88 2nnz s PHE 54 N 0.88 0.66 0.19 -3.49 -0.12 -1.20 -3.33 117.98 111.57 2nnz s PHE 54 Ca -0.09 -0.34 -0.08 0.00 -0.05 0.00 0.00 56.93 56.37 2nnz s PHE 54 Cb -0.15 -0.40 -0.07 0.00 -0.63 0.00 0.00 43.02 41.77 2nnz s PHE 54 CO 0.01 -0.04 0.48 0.99 -0.05 0.00 0.00 175.22 176.60 2nnz s THR 55 N -0.88 5.02 0.00 -4.49 2.01 -1.26 -3.66 115.64 112.38 2nnz s THR 55 Ca -0.04 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2nnz s THR 55 Cb -0.07 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2nnz s THR 55 CO 0.00 -0.01 0.63 0.35 -0.69 0.00 0.00 174.62 174.90 2nnz n THR 56 N -0.01 0.36 -0.16 -0.82 -2.24 -1.26 -4.39 114.28 105.77 2nnz n THR 56 Ca -0.01 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2nnz n THR 56 Cb 0.52 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.18 0.00 -2.95 -0.78 1.13 -1.26 -4.99 117.38 108.35 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 2nnz n GLN 57 Cb 0.16 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.04 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2nnz s VAL 58 N -3.00 4.74 -0.64 5.09 0.11 -1.26 -5.00 120.40 120.44 2nnz s VAL 58 Ca 0.00 0.96 -0.11 0.00 -2.93 0.00 0.00 61.98 59.89 2nnz s VAL 58 Cb 0.00 -4.20 0.16 0.00 -1.53 0.00 0.00 36.38 30.81 2nnz s VAL 58 CO 0.00 -0.40 0.54 0.00 -3.33 0.00 0.00 175.10 171.91 2nnz s ALA 59 N 3.08 3.72 -0.26 1.54 0.00 -1.26 -4.87 121.76 123.72 2nnz s ALA 59 Ca 0.32 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.33 2nnz s ALA 59 Cb -0.13 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2nnz s ALA 59 CO 0.16 -2.10 0.00 0.54 0.00 0.00 0.00 175.76 174.37 2nnz s VAL 60 N 0.73 1.33 -0.04 0.00 0.11 -1.26 -5.11 120.40 116.15 2nnz s VAL 60 Ca 0.12 -1.30 0.03 0.00 -2.93 0.00 0.00 61.98 57.90 2nnz s VAL 60 Cb -0.20 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 2nnz s VAL 60 CO -0.03 -0.30 -0.14 -1.61 -3.33 0.00 0.00 175.10 169.68 2nnz s GLU 61 N 1.45 1.58 0.15 1.54 2.02 -1.26 -4.86 118.70 119.32 2nnz s GLU 61 Ca 0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 2nnz s GLU 61 Cb -0.18 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 2nnz s GLU 61 CO -0.11 0.17 0.13 0.21 0.02 0.00 0.00 175.26 175.68 2nnz s LYS 62 N 0.19 1.02 -0.81 1.61 2.20 -1.26 -5.11 119.74 117.58 2nnz s LYS 62 Ca -0.06 -1.38 -0.10 0.00 -0.36 0.00 0.00 55.97 54.07 2nnz s LYS 62 Cb -0.12 0.28 0.21 0.00 -1.51 0.00 0.00 37.83 36.70 2nnz s LYS 62 CO 0.02 -0.32 0.72 -1.83 -0.36 0.00 0.00 175.35 173.59 2nnz s GLU 63 N -4.04 3.39 -0.05 4.03 1.03 -1.26 -4.99 118.70 116.81 2nnz s GLU 63 Ca 0.23 -2.60 -0.31 0.00 0.03 0.00 0.00 54.97 52.33 2nnz s GLU 63 Cb 0.06 -4.25 0.11 0.00 -0.80 0.00 0.00 34.13 29.26 2nnz s GLU 63 CO 0.02 -1.26 1.02 -2.00 -1.33 0.00 0.00 175.26 171.72 2nnz s GLU 64 N -0.12 0.66 0.67 -4.83 2.12 -1.26 -5.05 118.70 110.89 2nnz s GLU 64 Ca 0.19 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.26 2nnz s GLU 64 Cb -0.12 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2nnz s GLU 64 CO -0.08 -0.29 0.00 -1.71 -0.54 0.00 0.00 175.26 172.64 2nnz n ASN 65 N -0.23 0.00 -2.28 -1.70 2.85 -1.26 -4.85 115.26 107.79 2nnz n ASN 65 Ca -0.06 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.24 2nnz n ASN 65 Cb 0.61 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.64 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 2.38 -3.07 -4.95 1.20 7.64 -1.26 -4.94 113.62 110.62 2nnz n SER 66 Ca 0.00 -0.03 -0.24 0.00 1.01 0.00 0.00 58.87 59.61 2nnz n SER 66 Cb 0.00 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 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 -1.17 3.45 0.00 1.43 0.00 0.31 -4.48 119.74 119.28 2nnz s LYS 67 Ca 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 55.97 55.51 2nnz s LYS 67 Cb -0.02 -2.91 -0.01 0.00 0.00 0.00 0.00 37.83 34.89 2nnz s LYS 67 CO 0.38 0.46 0.21 -0.40 0.00 0.00 0.00 175.35 176.00 2nnz n ASP 68 N -1.00 0.39 -4.15 0.03 5.68 -1.26 0.71 116.55 116.95 2nnz n ASP 68 Ca -0.08 -0.69 -0.21 0.00 -0.50 0.00 0.00 54.79 53.31 2nnz n ASP 68 Cb 0.55 0.72 -0.14 0.00 -1.14 0.00 0.00 41.12 41.12 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nnz s VAL 69 N -0.90 1.18 0.09 2.12 0.11 -1.26 -4.46 120.40 117.28 2nnz s VAL 69 Ca 0.01 -0.93 -0.23 0.00 -2.93 0.00 0.00 61.98 57.90 2nnz s VAL 69 Cb 0.01 -1.04 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 2nnz s VAL 69 CO 0.06 0.10 0.56 0.68 -3.33 0.00 0.00 175.10 173.17 2nnz s VAL 70 N -0.72 0.02 0.05 2.04 -7.23 -1.26 -5.09 120.40 108.21 2nnz s VAL 70 Ca 0.03 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2nnz s VAL 70 Cb -0.07 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2nnz s VAL 70 CO 0.01 -0.09 0.22 -1.61 -0.31 0.00 0.00 175.10 173.31 2nnz s GLU 71 N -2.96 3.45 -0.14 4.82 2.02 -1.26 -4.93 118.70 119.70 2nnz s GLU 71 Ca -0.03 -0.38 -0.42 0.00 0.02 0.00 0.00 54.97 54.17 2nnz s GLU 71 Cb -0.00 -3.04 -0.20 0.00 0.10 0.00 0.00 34.13 30.99 2nnz s GLU 71 CO -0.06 0.62 1.27 -0.11 0.02 0.00 0.00 175.26 176.99 2nnz n LEU 72 N 0.44 0.56 0.00 1.80 7.94 -1.26 -2.31 117.00 124.17 2nnz n LEU 72 Ca -0.06 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.51 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2nnz n LEU 72 CO 0.50 -1.48 0.00 0.61 -1.11 0.00 0.00 177.39 175.90 2nnz n GLY 73 N 2.38 1.51 3.85 -3.96 0.00 -1.26 -5.10 105.19 102.61 2nnz n GLY 73 Ca 0.23 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.36 6.24 0.16 1.61 1.47 -0.98 -3.12 116.67 121.69 2nnz s ASP 74 Ca 0.00 1.54 0.09 0.00 1.18 0.00 0.00 52.55 55.36 2nnz s ASP 74 Cb 0.00 -2.49 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 2nnz s ASP 74 CO 0.00 -0.86 -0.16 -0.69 0.68 0.00 0.00 175.17 174.14 2nnz s VAL 75 N -2.88 2.88 -0.00 2.11 1.01 0.44 -4.52 120.40 119.44 2nnz s VAL 75 Ca 0.58 -1.67 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 2nnz s VAL 75 Cb -0.11 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2nnz s VAL 75 CO 0.44 -0.03 0.28 0.00 0.00 0.00 0.00 175.10 175.79 2nnz s ALA 76 N -1.47 -0.67 -0.13 5.51 0.00 -1.25 -1.62 121.76 122.13 2nnz s ALA 76 Ca 0.21 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 2nnz s ALA 76 Cb -0.09 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2nnz s ALA 76 CO 0.12 -0.28 -0.07 -0.47 0.00 0.00 0.00 175.76 175.06 2nnz s TYR 77 N -1.58 2.95 0.36 0.00 5.04 0.77 -2.70 117.35 122.19 2nnz s TYR 77 Ca -0.12 -0.30 -0.26 0.00 -2.44 0.00 0.00 57.07 53.95 2nnz s TYR 77 Cb -0.05 -1.87 -0.09 0.00 0.35 0.00 0.00 41.96 40.30 2nnz s TYR 77 CO 0.02 0.01 1.10 -0.46 -1.34 0.00 0.00 175.55 174.88 2nnz s TRP 78 N 0.07 3.30 -0.20 4.97 -0.00 0.74 -1.98 118.94 125.83 2nnz s TRP 78 Ca -0.02 1.63 -0.16 0.00 -0.00 0.00 0.00 56.10 57.56 2nnz s TRP 78 Cb -0.14 -3.25 -0.11 0.00 -0.00 0.00 0.00 33.47 29.97 2nnz s TRP 78 CO 0.03 -0.80 -0.12 -0.89 -0.00 0.00 0.00 176.95 175.17 2nnz n ILE 79 N 0.33 1.50 -1.48 5.86 2.08 -1.26 -3.44 119.36 122.95 2nnz n ILE 79 Ca 0.03 -0.02 -0.40 0.00 0.56 0.00 0.00 62.75 62.91 2nnz n ILE 79 Cb 0.47 -2.15 -0.05 0.00 -0.75 0.00 0.00 39.64 37.17 2nnz n ILE 79 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2nnz n PRO 80 N -4.44 1.81 0.00 0.38 -0.02 -1.26 -2.17 135.00 129.31 2nnz n PRO 80 Ca -0.28 -2.15 0.00 0.00 -2.02 0.00 0.00 63.50 59.05 2nnz n PRO 80 Cb 0.60 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 4.74 0.12 3.14 -1.23 0.00 -1.26 -4.87 105.19 105.83 2nnz n GLY 81 Ca 0.49 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.62 -4.40 1.61 4.01 -0.92 -4.95 118.16 109.89 2nnz n LYS 82 Ca 0.00 0.61 -0.34 0.00 -0.51 0.00 0.00 58.31 58.07 2nnz n LYS 82 Cb 0.00 -5.34 -0.12 0.00 -0.51 0.00 0.00 35.03 29.06 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 -2.95 3.03 0.27 7.82 0.00 -1.22 -4.66 121.76 124.04 2nnz s ALA 83 Ca 0.32 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 2nnz s ALA 83 Cb -0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.34 2nnz s ALA 83 CO 0.39 0.26 0.61 0.42 0.00 0.00 0.00 175.76 177.44 2nnz s ILE 84 N 0.22 4.86 0.04 0.00 1.01 -1.24 -0.19 121.20 125.90 2nnz s ILE 84 Ca -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 2nnz s ILE 84 Cb -0.14 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2nnz s ILE 84 CO 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 174.94 174.83 2nnz s LEU 86 N -2.28 3.50 0.00 0.00 1.43 -1.16 -3.81 118.68 116.36 2nnz s LEU 86 Ca -0.03 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2nnz s LEU 86 Cb 0.00 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2nnz s LEU 86 CO -0.06 -0.12 -0.05 -0.36 0.23 0.00 0.00 176.35 176.00 2nnz s PHE 87 N -2.27 0.43 0.00 0.29 0.08 -1.26 -4.17 117.98 111.08 2nnz s PHE 87 Ca 0.34 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.27 2nnz s PHE 87 Cb -0.06 -0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 2nnz s PHE 87 CO 0.23 -0.02 0.00 0.34 -0.10 0.00 0.00 175.22 175.68 2nnz n PHE 88 N 2.80 0.00 0.00 0.36 7.35 -1.26 -4.64 117.46 122.07 2nnz n PHE 88 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 2nnz n PHE 88 Cb 0.58 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.41 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 0.00 -1.52 0.00 7.13 0.00 -1.26 -4.88 105.19 104.67 2nnz n GLY 89 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -3.28 1.61 -0.00 -1.26 -4.89 118.16 110.34 2nnz n LYS 90 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2nnz n LYS 90 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 2nnz n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2nnz n THR 91 N 0.00 0.00 -0.37 0.58 -2.24 -1.22 -3.68 114.28 107.35 2nnz n THR 91 Ca 0.00 -0.70 0.37 0.00 -2.27 0.00 0.00 64.05 61.45 2nnz n THR 91 Cb 0.00 0.75 0.65 0.00 -2.10 0.00 0.00 70.33 69.62 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2nnz h PRO 92 N 0.00 0.00 -2.39 -0.78 0.11 -1.85 -2.44 132.00 124.65 2nnz h PRO 92 Ca -0.26 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.26 2nnz h PRO 92 Cb 0.99 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.70 2nnz h PRO 92 CO 0.33 0.00 -0.84 -0.89 -0.21 0.00 0.00 178.00 176.39 2nnz n ILE 93 N -3.65 0.32 -0.82 4.15 -0.00 -1.26 -4.92 119.36 113.19 2nnz n ILE 93 Ca 0.29 -4.29 -0.12 0.00 -0.00 0.00 0.00 62.75 58.63 2nnz n ILE 93 Cb 1.57 -1.95 0.22 0.00 -0.00 0.00 0.00 39.64 39.48 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2nnz n SER 94 N 1.82 4.13 0.00 4.38 3.41 -0.92 -2.72 113.62 123.72 2nnz n SER 94 Ca 0.25 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 2nnz n SER 94 Cb 0.45 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2nnz n SER 94 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2nnz n ASP 95 N -0.43 0.00 -0.04 4.04 9.92 -1.26 -4.53 116.55 124.25 2nnz n ASP 95 Ca 0.42 0.38 -0.21 0.00 -0.53 0.00 0.00 54.79 54.85 2nnz n ASP 95 Cb 1.36 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.72 2nnz n ASP 95 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2nnz h ASP 96 N 0.00 0.23 -5.56 -2.24 3.04 -2.04 -3.49 116.42 106.36 2nnz h ASP 96 Ca 0.00 -0.75 -0.23 0.00 -3.24 0.00 0.00 57.03 52.82 2nnz h ASP 96 Cb 0.00 -0.07 -0.14 0.00 -1.04 0.00 0.00 39.33 38.08 2nnz h ASP 96 CO 0.00 1.62 -0.54 -0.54 -2.04 0.00 0.00 179.24 177.74 2nnz s LYS 97 N -2.45 1.27 -0.72 4.15 -0.14 -1.26 -5.09 119.74 115.50 2nnz s LYS 97 Ca -0.24 -1.60 -0.26 0.00 -1.36 0.00 0.00 55.97 52.51 2nnz s LYS 97 Cb 0.05 0.30 0.01 0.00 -1.68 0.00 0.00 37.83 36.51 2nnz s LYS 97 CO 0.69 -0.44 1.53 0.42 -0.76 0.00 0.00 175.35 176.80 2nnz s ILE 98 N -4.10 3.59 -0.56 2.17 1.01 -1.26 -4.19 121.20 117.86 2nnz s ILE 98 Ca 0.37 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 2nnz s ILE 98 Cb 0.06 -4.54 0.14 0.00 0.01 0.00 0.00 42.46 38.12 2nnz s ILE 98 CO 0.12 -1.49 0.52 -0.13 0.00 0.00 0.00 174.94 173.97 2nnz s ARG 99 N 6.20 3.03 0.30 2.79 1.81 -1.10 -4.70 118.95 127.28 2nnz s ARG 99 Ca 0.49 -1.78 0.08 0.00 -1.72 0.00 0.00 55.73 52.80 2nnz s ARG 99 Cb -0.09 -4.30 0.46 0.00 -0.45 0.00 0.00 34.95 30.56 2nnz s ARG 99 CO 0.14 -1.32 1.69 -1.00 -0.68 0.00 0.00 175.30 174.13 2nnz h PRO 100 N 8.79 0.16 0.00 3.54 0.13 -1.90 -3.36 132.00 139.35 2nnz h PRO 100 Ca -0.26 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2nnz h PRO 100 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2nnz h PRO 100 CO 1.01 0.60 0.00 0.00 -0.23 0.00 0.00 178.00 179.38 2nnz n ALA 101 N -2.46 0.00 0.55 -0.56 0.00 -1.26 -4.92 120.51 111.85 2nnz n ALA 101 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2nnz n ALA 101 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 0.08 0.65 -2.73 0.00 7.64 -1.26 -4.73 113.62 113.27 2nnz n SER 102 Ca 0.00 -0.82 -0.06 0.00 1.01 0.00 0.00 58.87 59.00 2nnz n SER 102 Cb 0.00 0.94 0.05 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.16 -2.21 -2.36 -0.43 0.00 -1.26 -4.61 120.51 108.48 2nnz n ALA 103 Ca 0.03 -0.95 -0.29 0.00 0.00 0.00 0.00 53.44 52.22 2nnz n ALA 103 Cb 0.19 -1.98 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 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 0.62 1.94 0.36 0.00 -7.23 0.22 -4.10 120.40 112.21 2nnz s VAL 104 Ca 0.30 -1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 2nnz s VAL 104 Cb 0.17 -1.63 -0.08 0.00 0.56 0.00 0.00 36.38 35.40 2nnz s VAL 104 CO -0.16 0.47 0.77 0.20 -0.31 0.00 0.00 175.10 176.07 2nnz s ASN 105 N -0.78 6.71 -0.72 4.85 0.01 -0.84 0.11 114.94 124.29 2nnz s ASN 105 Ca 0.10 1.27 -0.22 0.00 -0.71 0.00 0.00 52.86 53.30 2nnz s ASN 105 Cb -0.09 -2.37 0.08 0.00 0.41 0.00 0.00 41.25 39.27 2nnz s ASN 105 CO -0.00 -0.28 1.02 0.68 -1.51 0.00 0.00 177.10 177.01 2nnz s VAL 106 N -2.13 4.34 -0.55 1.60 -7.23 -1.26 -0.16 120.40 115.01 2nnz s VAL 106 Ca 0.54 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2nnz s VAL 106 Cb -0.10 -4.72 0.17 0.00 0.56 0.00 0.00 36.38 32.29 2nnz s VAL 106 CO 0.21 -1.50 0.94 0.00 -0.31 0.00 0.00 175.10 174.44 2nnz n ILE 107 N 5.91 0.95 0.00 -0.62 3.06 -0.64 -4.74 119.36 123.29 2nnz n ILE 107 Ca 0.02 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 2nnz n ILE 107 Cb 0.46 -0.61 0.00 0.00 0.54 0.00 0.00 39.64 40.03 2nnz n ILE 107 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2nnz n GLY 108 N 0.14 -0.74 3.28 4.50 0.00 -1.21 -3.92 105.19 107.24 2nnz n GLY 108 Ca 0.09 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 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 1.19 -0.34 1.61 3.00 -1.25 0.17 118.95 123.33 2nnz s ARG 109 Ca 0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 55.73 54.09 2nnz s ARG 109 Cb 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 34.95 35.26 2nnz s ARG 109 CO 0.00 -0.41 0.58 0.42 0.00 0.00 0.00 175.30 175.89 2nnz s ILE 110 N -4.08 4.95 0.00 1.52 1.09 -1.18 -2.12 121.20 121.38 2nnz s ILE 110 Ca 0.29 0.54 0.00 0.00 -1.10 0.00 0.00 60.65 60.39 2nnz s ILE 110 Cb 0.05 -4.01 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 2nnz s ILE 110 CO 0.07 -0.23 0.00 1.33 -0.10 0.00 0.00 174.94 176.01 2nnz n VAL 111 N 5.48 0.00 -1.75 2.92 0.24 -1.24 -4.99 118.33 118.99 2nnz n VAL 111 Ca -0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 2nnz n VAL 111 Cb 0.49 -0.53 0.06 0.00 -1.47 0.00 0.00 33.84 32.39 2nnz n VAL 111 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2nnz n ASN 112 N -0.57 0.22 -1.32 -1.34 6.94 -1.26 -4.90 115.26 113.03 2nnz n ASN 112 Ca 0.00 -1.27 0.16 0.00 -0.02 0.00 0.00 54.58 53.45 2nnz n ASN 112 Cb 0.00 -0.31 -0.09 0.00 -2.36 0.00 0.00 39.78 37.02 2nnz n ASN 112 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2nnz n SER 113 N -3.17 -7.18 -4.52 0.53 7.64 -1.26 -3.80 113.62 101.86 2nnz n SER 113 Ca 0.06 1.35 -0.46 0.00 1.01 0.00 0.00 58.87 60.83 2nnz n SER 113 Cb 0.21 -4.57 -0.05 0.00 -1.01 0.00 0.00 64.21 58.79 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2nnz n MET 114 N -4.15 1.38 -0.41 1.43 1.56 -0.52 -4.74 117.12 111.67 2nnz n MET 114 Ca -0.09 0.34 0.05 0.00 -0.27 0.00 0.00 57.70 57.73 2nnz n MET 114 Cb 0.63 -2.83 0.21 0.00 2.15 0.00 0.00 33.22 33.38 2nnz n MET 114 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2nnz n GLU 115 N 8.52 2.78 -1.89 2.12 0.00 -1.26 -3.92 120.64 126.98 2nnz n GLU 115 Ca 0.37 -1.63 -0.30 0.00 0.00 0.00 0.00 57.16 55.60 2nnz n GLU 115 Cb 0.34 -1.75 0.04 0.00 0.00 0.00 0.00 31.44 30.07 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nnz n GLY 116 N 0.57 6.05 0.50 -1.84 0.00 -1.26 -4.77 105.19 104.44 2nnz n GLY 116 Ca 0.15 -2.56 0.32 0.00 0.00 0.00 0.00 46.02 43.93 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 2.32 0.02 -1.53 0.99 5.85 -1.90 -1.36 115.31 119.70 2nnz h LEU 117 Ca 0.45 0.00 0.37 0.00 0.84 0.00 0.00 57.88 59.55 2nnz h LEU 117 Cb 1.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2nnz h LEU 117 CO 1.12 0.00 1.18 0.07 -0.34 0.00 0.00 178.44 180.47 2nnz h LYS 118 N 0.02 0.00 -1.00 1.25 5.09 -1.86 0.32 116.57 120.39 2nnz h LYS 118 Ca 0.51 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 61.12 2nnz h LYS 118 Cb 2.00 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 34.25 2nnz h LYS 118 CO -0.02 0.00 0.16 0.41 -2.09 0.00 0.00 179.45 177.92 2nnz n GLY 119 N -1.77 2.62 3.85 0.07 0.00 -0.51 -4.59 105.19 104.87 2nnz n GLY 119 Ca 0.29 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.82 4.60 0.39 1.61 -7.23 0.11 -5.05 120.40 114.01 2nnz s VAL 120 Ca 0.14 1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 61.14 2nnz s VAL 120 Cb 0.12 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 33.24 2nnz s VAL 120 CO 0.03 -0.62 0.98 0.00 -0.31 0.00 0.00 175.10 175.18 2nnz s ALA 121 N -2.53 3.09 -0.16 1.32 0.00 -1.26 -4.94 121.76 117.28 2nnz s ALA 121 Ca 0.57 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.73 2nnz s ALA 121 Cb -0.10 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2nnz s ALA 121 CO 0.31 0.02 2.00 -0.40 0.00 0.00 0.00 175.76 177.69 2nnz n ASP 122 N -0.15 3.21 -2.12 0.00 5.75 -1.26 -4.16 116.55 117.82 2nnz n ASP 122 Ca 0.05 0.73 -0.03 0.00 -0.01 0.00 0.00 54.79 55.54 2nnz n ASP 122 Cb 0.51 -1.39 -0.02 0.00 -1.03 0.00 0.00 41.12 39.19 2nnz n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nnz n GLY 123 N 5.05 -4.68 3.39 6.12 0.00 -1.25 -4.97 105.19 108.84 2nnz n GLY 123 Ca 0.27 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.88 0.86 1.04 1.61 -1.05 -1.21 -5.01 118.70 114.06 2nnz s GLU 124 Ca -0.13 0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 54.59 2nnz s GLU 124 Cb 0.01 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.12 2nnz s GLU 124 CO 0.35 -0.25 -0.12 0.45 0.95 0.00 0.00 175.26 176.64 2nnz n SER 125 N 1.16 -2.69 -3.65 0.83 2.88 -1.26 -2.05 113.62 108.84 2nnz n SER 125 Ca -0.20 0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.34 2nnz n SER 125 Cb 0.56 -0.97 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 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 -2.24 -0.19 -0.26 2.46 1.01 0.13 -4.52 120.40 116.80 2nnz s VAL 126 Ca 0.52 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2nnz s VAL 126 Cb -0.13 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.41 2nnz s VAL 126 CO 0.68 0.01 -0.04 0.68 0.00 0.00 0.00 175.10 176.43 2nnz s VAL 127 N 1.83 1.68 -0.05 2.92 -7.23 -1.25 0.13 120.40 118.43 2nnz s VAL 127 Ca -0.09 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 2nnz s VAL 127 Cb -0.07 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2nnz s VAL 127 CO -0.18 -0.20 0.90 -0.69 -0.31 0.00 0.00 175.10 174.62 2nnz s VAL 128 N 1.30 4.90 -0.18 1.32 1.01 -0.81 -3.75 120.40 124.20 2nnz s VAL 128 Ca -0.03 1.87 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 2nnz s VAL 128 Cb -0.19 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.02 2nnz s VAL 128 CO -0.08 0.14 0.43 -1.83 0.00 0.00 0.00 175.10 173.77 2nnz s GLU 129 N 1.24 0.42 -0.85 2.72 -1.05 -0.70 -1.26 118.70 119.23 2nnz s GLU 129 Ca 0.47 0.81 -0.25 0.00 -0.15 0.00 0.00 54.97 55.84 2nnz s GLU 129 Cb -0.19 -0.00 0.02 0.00 -0.44 0.00 0.00 34.13 33.52 2nnz s GLU 129 CO 0.22 -0.15 1.50 0.50 0.95 0.00 0.00 175.26 178.28 2nnz s ARG 130 N 1.36 3.19 0.00 -4.83 3.00 -1.26 0.11 118.95 120.52 2nnz s ARG 130 Ca -0.09 -0.46 0.00 0.00 -1.00 0.00 0.00 55.73 54.18 2nnz s ARG 130 Cb -0.08 -4.74 0.00 0.00 0.00 0.00 0.00 34.95 30.13 2nnz s ARG 130 CO -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 175.30 172.78