#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 -1.88 0.08 3.03 0.00 -1.26 -5.03 105.19 100.13 2nnz n GLY 2 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 2nnz n GLY 2 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nnz h GLU 3 N 0.00 -0.09 0.00 1.61 5.08 -2.04 -3.49 114.58 115.65 2nnz h GLU 3 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2nnz h GLU 3 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2nnz h GLU 3 CO 0.00 -0.06 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 2nnz n ARG 4 N -4.55 0.00 -0.84 2.33 5.12 -1.26 -5.06 116.66 112.40 2nnz n ARG 4 Ca -0.01 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.90 2nnz n ARG 4 Cb 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.31 -0.30 2.34 -0.13 0.00 -1.26 -4.40 105.19 101.76 2nnz n GLY 5 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 1.19 -2.46 1.61 0.24 -1.26 -4.15 118.33 113.43 2nnz n VAL 6 Ca -0.06 -4.77 0.00 0.00 -2.04 0.00 0.00 64.34 57.48 2nnz n VAL 6 Cb 0.40 -1.99 0.01 0.00 -1.47 0.00 0.00 33.84 30.79 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 1.01 0.41 -3.73 7.34 0.00 -1.26 -4.92 120.64 119.49 2nnz n GLU 7 Ca 0.27 -1.98 -0.37 0.00 0.00 0.00 0.00 57.16 55.07 2nnz n GLU 7 Cb 0.46 -0.14 -0.12 0.00 0.00 0.00 0.00 31.44 31.64 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2nnz s MET 8 N -0.66 3.31 0.06 3.44 1.75 -1.24 -4.97 119.30 120.99 2nnz s MET 8 Ca 0.23 -0.72 0.10 0.00 -1.25 0.00 0.00 55.69 54.05 2nnz s MET 8 Cb 0.29 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 34.51 2nnz s MET 8 CO -0.11 -0.37 -0.26 -0.98 -0.65 0.00 0.00 175.02 172.65 2nnz s ARG 9 N 1.56 1.74 0.32 4.11 1.04 -1.26 0.12 118.95 126.58 2nnz s ARG 9 Ca 0.04 -1.15 0.09 0.00 -1.04 0.00 0.00 55.73 53.67 2nnz s ARG 9 Cb -0.17 -1.97 -0.05 0.00 -2.04 0.00 0.00 34.95 30.73 2nnz s ARG 9 CO 0.04 0.50 0.02 -0.48 -0.04 0.00 0.00 175.30 175.34 2nnz s LEU 10 N -1.38 3.05 0.03 -1.89 2.34 -0.03 -4.25 118.68 116.54 2nnz s LEU 10 Ca 0.12 -0.89 0.04 0.00 0.06 0.00 0.00 54.13 53.46 2nnz s LEU 10 Cb -0.10 -1.48 -0.04 0.00 -0.56 0.00 0.00 46.19 44.02 2nnz s LEU 10 CO 0.03 -0.19 -0.06 -0.60 -1.06 0.00 0.00 176.35 174.47 2nnz s ARG 11 N -3.72 2.50 -0.26 1.48 3.00 0.11 -2.72 118.95 119.33 2nnz s ARG 11 Ca 0.34 -0.77 -0.03 0.00 -1.00 0.00 0.00 55.73 54.27 2nnz s ARG 11 Cb -0.02 -2.48 0.10 0.00 0.00 0.00 0.00 34.95 32.55 2nnz s ARG 11 CO 0.20 0.58 0.17 0.42 0.00 0.00 0.00 175.30 176.67 2nnz s ILE 12 N -1.06 -0.18 0.18 4.11 1.01 -0.94 -2.02 121.20 122.30 2nnz s ILE 12 Ca 0.19 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.36 2nnz s ILE 12 Cb -0.11 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2nnz s ILE 12 CO 0.09 -0.53 0.24 0.00 0.00 0.00 0.00 174.94 174.74 2nnz s ARG 13 N 2.19 3.22 -0.01 2.79 1.70 -1.25 -2.17 118.95 125.42 2nnz s ARG 13 Ca 0.08 -0.76 -0.01 0.00 -0.47 0.00 0.00 55.73 54.57 2nnz s ARG 13 Cb -0.15 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 2nnz s ARG 13 CO -0.28 0.48 0.03 -0.06 -1.08 0.00 0.00 175.30 174.39 2nnz s PHE 14 N -1.82 -0.03 0.56 5.89 0.40 0.42 -3.84 117.98 119.56 2nnz s PHE 14 Ca 0.33 0.07 0.38 0.00 -0.60 0.00 0.00 56.93 57.12 2nnz s PHE 14 Cb -0.10 -0.00 1.51 0.00 0.51 0.00 0.00 43.02 44.94 2nnz s PHE 14 CO 0.27 -0.02 1.68 0.93 0.70 0.00 0.00 175.22 178.78 2nnz h GLU 15 N 6.17 0.00 0.00 0.44 3.07 -1.98 0.21 114.58 122.49 2nnz h GLU 15 Ca -0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 2nnz h GLU 15 Cb 1.20 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 2nnz h GLU 15 CO 0.49 0.00 -0.27 0.43 -1.40 0.00 0.00 179.01 178.26 2nnz n SER 16 N -3.93 1.63 -3.61 1.42 7.64 -1.26 -5.07 113.62 110.44 2nnz n SER 16 Ca 0.28 -2.92 -0.04 0.00 1.01 0.00 0.00 58.87 57.21 2nnz n SER 16 Cb 1.43 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnz s ALA 17 N -2.11 -2.08 0.02 -0.43 0.00 0.75 -5.03 121.76 112.88 2nnz s ALA 17 Ca 0.26 1.74 0.02 0.00 0.00 0.00 0.00 51.96 53.98 2nnz s ALA 17 Cb 0.24 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2nnz s ALA 17 CO -0.01 -0.40 -0.08 -1.83 0.00 0.00 0.00 175.76 173.44 2nnz s GLU 18 N -1.62 0.55 -0.09 0.00 4.04 -1.26 0.16 118.70 120.49 2nnz s GLU 18 Ca 0.07 -0.47 -0.31 0.00 0.04 0.00 0.00 54.97 54.30 2nnz s GLU 18 Cb -0.01 -0.46 0.09 0.00 0.02 0.00 0.00 34.13 33.77 2nnz s GLU 18 CO -0.05 0.11 0.79 0.00 -1.84 0.00 0.00 175.26 174.28 2nnz s GLU 20 N -1.18 1.35 -0.12 0.00 2.02 -1.26 -2.21 118.70 117.29 2nnz s GLU 20 Ca -0.08 -1.55 -0.18 0.00 0.02 0.00 0.00 54.97 53.18 2nnz s GLU 20 Cb -0.00 -1.24 0.04 0.00 0.10 0.00 0.00 34.13 33.03 2nnz s GLU 20 CO 0.07 0.22 0.46 0.54 0.02 0.00 0.00 175.26 176.57 2nnz s VAL 21 N -2.66 0.01 0.65 2.63 0.11 -1.10 -4.04 120.40 116.00 2nnz s VAL 21 Ca 0.21 -0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2nnz s VAL 21 Cb -0.03 -0.69 0.13 0.00 -1.53 0.00 0.00 36.38 34.27 2nnz s VAL 21 CO 0.08 -0.06 0.89 -0.62 -3.33 0.00 0.00 175.10 172.05 2nnz n GLU 22 N 2.23 -0.14 -3.70 1.54 1.02 -0.73 -0.86 120.64 120.00 2nnz n GLU 22 Ca -0.16 -2.25 -0.11 0.00 -0.02 0.00 0.00 57.16 54.62 2nnz n GLU 22 Cb 0.57 -0.64 -0.11 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.02 -0.08 -4.62 2.96 0.32 -3.75 118.68 113.48 2nnz s LEU 23 Ca 0.57 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 55.36 2nnz s LEU 23 Cb -0.03 1.29 -0.02 0.00 0.50 0.00 0.00 46.19 47.93 2nnz s LEU 23 CO 0.38 -0.19 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.79 2nnz s TYR 24 N 1.34 2.77 -1.00 5.38 2.02 -1.26 -3.62 117.35 122.98 2nnz s TYR 24 Ca -0.09 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2nnz s TYR 24 Cb -0.08 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 2nnz s TYR 24 CO -0.12 0.07 0.89 0.39 -1.57 0.00 0.00 175.55 175.21 2nnz n GLU 25 N 2.73 0.00 -0.35 -0.62 -0.58 -1.26 -3.08 120.64 117.48 2nnz n GLU 25 Ca -0.18 0.39 0.37 0.00 -0.42 0.00 0.00 57.16 57.32 2nnz n GLU 25 Cb 0.52 -1.55 0.71 0.00 -0.57 0.00 0.00 31.44 30.55 2nnz n GLU 25 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2nnz h GLU 26 N 0.00 0.00 0.07 3.49 4.11 -1.93 0.48 114.58 120.80 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2nnz h GLU 26 CO 0.00 0.00 -0.03 2.35 0.07 0.00 0.00 179.01 181.40 2nnz h TRP 27 N 0.00 -0.08 0.00 2.06 7.01 -1.83 -3.45 115.95 119.66 2nnz h TRP 27 Ca 0.60 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.60 2nnz h TRP 27 Cb 2.65 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 29.73 2nnz h TRP 27 CO 0.00 0.49 0.00 0.00 -2.79 0.00 0.00 178.44 176.14 2nnz n ALA 28 N -2.59 0.00 -0.35 2.65 0.00 0.17 -4.59 120.51 115.81 2nnz n ALA 28 Ca -0.08 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.60 2nnz n ALA 28 Cb 0.30 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.24 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 0.37 -0.28 0.00 0.10 -1.94 -0.06 132.00 130.20 2nnz h PRO 29 Ca 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 66.07 2nnz h PRO 29 Cb 0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 31.00 31.00 2nnz h PRO 29 CO 0.00 0.25 0.13 0.93 0.10 0.00 0.00 178.00 179.41 2nnz h GLU 30 N 0.38 0.40 -0.40 1.05 3.07 -1.95 -2.94 114.58 114.19 2nnz h GLU 30 Ca 0.66 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.43 2nnz h GLU 30 Cb 1.62 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.44 2nnz h GLU 30 CO -0.41 0.39 0.12 1.79 -1.40 0.00 0.00 179.01 179.51 2nnz h THR 31 N 0.31 1.22 -1.11 1.13 1.35 -1.42 -2.60 112.91 111.78 2nnz h THR 31 Ca 0.09 -0.71 0.31 0.00 -0.55 0.00 0.00 66.41 65.56 2nnz h THR 31 Cb 0.12 0.93 -0.10 0.00 -1.73 0.00 0.00 68.15 67.37 2nnz h THR 31 CO -0.01 0.25 0.72 0.58 -0.25 0.00 0.00 175.52 176.80 2nnz h VAL 32 N 0.50 0.41 -0.94 6.82 2.07 -1.19 0.28 116.25 124.19 2nnz h VAL 32 Ca 0.13 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.63 2nnz h VAL 32 Cb 0.26 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 2nnz h VAL 32 CO -0.00 0.06 0.61 -0.09 0.02 0.00 0.00 177.57 178.16 2nnz h ARG 33 N 0.30 0.99 -0.23 1.57 2.43 -1.29 -2.11 114.38 116.04 2nnz h ARG 33 Ca 0.66 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.74 2nnz h ARG 33 Cb 1.81 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 2nnz h ARG 33 CO -0.33 0.65 0.04 0.00 -1.51 0.00 0.00 179.97 178.82 2nnz h ALA 34 N 1.52 0.30 -0.23 2.80 0.00 -0.56 -0.42 119.26 122.67 2nnz h ALA 34 Ca 0.43 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2nnz h ALA 34 Cb 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2nnz h ALA 34 CO -0.18 -0.03 -0.06 0.82 0.00 0.00 0.00 179.25 179.80 2nnz h ILE 35 N 0.18 0.77 0.00 0.00 1.08 -1.39 0.54 117.51 118.69 2nnz h ILE 35 Ca 0.07 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2nnz h ILE 35 Cb 0.31 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2nnz h ILE 35 CO 0.00 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.34 2nnz h ALA 36 N 1.23 1.48 0.00 1.87 0.00 -1.30 -0.94 119.26 121.59 2nnz h ALA 36 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2nnz h ALA 36 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nnz h ALA 36 CO -0.23 0.16 -0.28 0.22 0.00 0.00 0.00 179.25 179.11 2nnz h ASP 37 N 0.00 0.00 -1.72 0.00 3.58 0.81 -3.26 116.42 115.82 2nnz h ASP 37 Ca -0.00 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.75 2nnz h ASP 37 Cb 0.28 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.08 2nnz h ASP 37 CO 0.02 0.28 0.91 0.00 -2.88 0.00 0.00 179.24 177.57 2nnz n ALA 38 N -2.22 6.48 -1.00 -0.78 0.00 -0.36 -5.00 120.51 117.63 2nnz n ALA 38 Ca 0.01 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.62 2nnz n ALA 38 Cb 0.50 -2.01 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 -0.27 0.00 -2.04 0.00 4.77 -1.23 -4.57 117.00 113.66 2nnz n LEU 39 Ca 0.53 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.25 2nnz n LEU 39 Cb 0.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2nnz n LEU 39 CO 0.49 -0.44 0.88 -2.65 -1.33 0.00 0.00 177.39 174.34 2nnz n PRO 40 N 0.00 0.00 -3.75 3.23 -0.02 -0.34 -4.47 135.00 129.65 2nnz n PRO 40 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2nnz n PRO 40 Cb 0.00 -0.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.69 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 3.19 0.05 0.02 4.25 1.01 -0.30 -4.96 121.20 124.46 2nnz s ILE 41 Ca 0.59 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 2nnz s ILE 41 Cb -0.68 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2nnz s ILE 41 CO 0.29 -0.24 0.72 -0.54 0.00 0.00 0.00 174.94 175.17 2nnz s LYS 42 N -1.30 4.45 -0.00 2.79 1.02 -1.26 -1.92 119.74 123.51 2nnz s LYS 42 Ca -0.13 0.96 -0.09 0.00 0.02 0.00 0.00 55.97 56.73 2nnz s LYS 42 Cb -0.05 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2nnz s LYS 42 CO 0.05 0.26 0.18 -1.54 -0.92 0.00 0.00 175.35 173.38 2nnz s SER 43 N 0.06 -0.04 -0.17 2.83 1.04 0.39 -4.89 113.70 112.93 2nnz s SER 43 Ca 0.37 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.61 2nnz s SER 43 Cb -0.20 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.21 -0.38 0.10 -0.89 0.98 0.00 0.00 173.24 173.27 2nnz s THR 44 N -1.31 5.18 -0.02 2.02 2.01 -1.26 0.12 115.64 122.38 2nnz s THR 44 Ca -0.14 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 2nnz s THR 44 Cb -0.07 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2nnz s THR 44 CO 0.02 0.51 0.47 0.00 -0.69 0.00 0.00 174.62 174.92 2nnz s ALA 45 N -0.10 3.60 -0.27 7.40 0.00 0.06 -4.26 121.76 128.19 2nnz s ALA 45 Ca 0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 2nnz s ALA 45 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2nnz s ALA 45 CO 0.00 0.30 0.15 -0.80 0.00 0.00 0.00 175.76 175.41 2nnz s ASN 46 N -0.51 5.73 -0.02 0.00 0.01 -1.12 -3.44 114.94 115.59 2nnz s ASN 46 Ca 0.26 -0.07 -0.22 0.00 -0.71 0.00 0.00 52.86 52.12 2nnz s ASN 46 Cb -0.17 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2nnz s ASN 46 CO 0.13 -0.04 0.64 -0.13 -1.51 0.00 0.00 177.10 176.19 2nnz s ARG 47 N 1.69 4.38 -0.06 -0.60 3.00 -1.26 -3.38 118.95 122.71 2nnz s ARG 47 Ca 0.07 0.80 -0.24 0.00 0.00 0.00 0.00 55.73 56.36 2nnz s ARG 47 Cb -0.16 -3.38 0.05 0.00 0.00 0.00 0.00 34.95 31.47 2nnz s ARG 47 CO 0.08 0.27 0.53 -0.46 0.00 0.00 0.00 175.30 175.72 2nnz s TRP 48 N 0.12 -0.48 -0.67 -0.53 -0.11 -0.66 -4.92 118.94 111.69 2nnz s TRP 48 Ca 0.33 0.86 -0.06 0.00 1.22 0.00 0.00 56.10 58.46 2nnz s TRP 48 Cb -0.18 0.27 -0.23 0.00 -1.50 0.00 0.00 33.47 31.83 2nnz s TRP 48 CO 0.18 -0.49 1.45 0.41 -4.62 0.00 0.00 176.95 173.88 2nnz n GLY 49 N 1.28 -0.33 4.35 5.86 0.00 -1.26 -0.65 105.19 114.44 2nnz n GLY 49 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.75 0.00 -4.72 1.61 2.03 -1.26 -3.84 116.55 114.11 2nnz n ASP 50 Ca 0.45 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.35 2nnz n ASP 50 Cb 0.10 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 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 4.52 -0.04 -0.67 2.12 0.17 -4.56 118.70 120.24 2nnz s GLU 51 Ca 0.00 1.68 -0.02 0.00 0.36 0.00 0.00 54.97 56.99 2nnz s GLU 51 Cb 0.00 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 31.07 2nnz s GLU 51 CO 0.00 -0.09 0.04 0.42 -0.54 0.00 0.00 175.26 175.09 2nnz s ILE 52 N 0.59 0.02 -0.04 -3.70 1.09 -1.26 -1.65 121.20 116.25 2nnz s ILE 52 Ca 0.54 0.33 0.01 0.00 -1.10 0.00 0.00 60.65 60.43 2nnz s ILE 52 Cb -0.28 -0.24 0.02 0.00 -1.06 0.00 0.00 42.46 40.90 2nnz s ILE 52 CO 0.31 0.19 -0.06 -0.72 -0.10 0.00 0.00 174.94 174.56 2nnz s TYR 53 N 1.98 0.77 0.02 3.97 1.13 -1.22 -2.82 117.35 121.19 2nnz s TYR 53 Ca 0.03 -0.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2nnz s TYR 53 Cb -0.12 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.08 2nnz s TYR 53 CO -0.03 -0.16 -0.06 -0.59 -2.51 0.00 0.00 175.55 172.20 2nnz s PHE 54 N 0.69 0.50 0.07 -3.49 -0.12 -1.18 -2.80 117.98 111.65 2nnz s PHE 54 Ca -0.10 -0.30 -0.11 0.00 -0.05 0.00 0.00 56.93 56.38 2nnz s PHE 54 Cb -0.13 -0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 41.89 2nnz s PHE 54 CO 0.00 -0.05 0.42 0.99 -0.05 0.00 0.00 175.22 176.53 2nnz s THR 55 N -0.76 5.06 -0.04 -4.49 2.01 -1.26 -3.58 115.64 112.58 2nnz s THR 55 Ca -0.05 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.50 2nnz s THR 55 Cb -0.06 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2nnz s THR 55 CO 0.00 0.33 0.80 0.35 -0.69 0.00 0.00 174.62 175.41 2nnz n THR 56 N 1.04 0.58 -0.19 -0.82 -2.24 -1.26 -4.38 114.28 107.01 2nnz n THR 56 Ca -0.09 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2nnz n THR 56 Cb 0.52 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.82 -0.78 1.13 -1.26 -4.99 117.38 108.40 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 0.15 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.02 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 -3.02 4.63 -0.72 5.09 0.11 -1.26 -4.99 120.40 120.24 2nnz s VAL 58 Ca 0.00 1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 60.17 2nnz s VAL 58 Cb 0.00 -4.29 0.16 0.00 -1.53 0.00 0.00 36.38 30.72 2nnz s VAL 58 CO 0.00 -0.44 0.74 0.00 -3.33 0.00 0.00 175.10 172.06 2nnz s ALA 59 N 3.35 3.73 -0.25 1.54 0.00 -1.26 -4.89 121.76 123.98 2nnz s ALA 59 Ca 0.38 -2.80 -0.00 0.00 0.00 0.00 0.00 51.96 49.53 2nnz s ALA 59 Cb -0.13 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.53 2nnz s ALA 59 CO 0.16 -2.33 0.02 0.54 0.00 0.00 0.00 175.76 174.15 2nnz s VAL 60 N 1.44 1.16 -0.02 0.00 0.11 -1.26 -5.11 120.40 116.72 2nnz s VAL 60 Ca 0.15 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2nnz s VAL 60 Cb -0.18 -1.63 0.02 0.00 -1.53 0.00 0.00 36.38 33.07 2nnz s VAL 60 CO -0.03 -0.31 0.01 -1.61 -3.33 0.00 0.00 175.10 169.83 2nnz s GLU 61 N 1.54 0.12 0.16 1.54 2.02 -1.26 -4.74 118.70 118.08 2nnz s GLU 61 Ca 0.01 0.08 -0.10 0.00 0.02 0.00 0.00 54.97 54.98 2nnz s GLU 61 Cb -0.18 -0.29 -0.00 0.00 0.10 0.00 0.00 34.13 33.76 2nnz s GLU 61 CO -0.11 -0.10 0.31 0.21 0.02 0.00 0.00 175.26 175.58 2nnz s LYS 62 N 0.75 1.14 -0.94 1.61 2.20 -1.26 -5.10 119.74 118.14 2nnz s LYS 62 Ca -0.07 -1.09 -0.16 0.00 -0.36 0.00 0.00 55.97 54.30 2nnz s LYS 62 Cb -0.10 0.39 0.18 0.00 -1.51 0.00 0.00 37.83 36.80 2nnz s LYS 62 CO -0.02 -0.42 1.03 -1.83 -0.36 0.00 0.00 175.35 173.75 2nnz s GLU 63 N -3.94 3.72 -0.19 4.03 4.04 -1.26 -4.95 118.70 120.15 2nnz s GLU 63 Ca 0.14 -2.25 -0.29 0.00 0.04 0.00 0.00 54.97 52.60 2nnz s GLU 63 Cb 0.03 -4.72 0.14 0.00 0.02 0.00 0.00 34.13 29.59 2nnz s GLU 63 CO -0.02 -1.55 1.06 -1.83 -1.84 0.00 0.00 175.26 171.08 2nnz s GLU 64 N 1.26 0.51 0.64 -4.83 -1.05 -1.26 -5.05 118.70 108.92 2nnz s GLU 64 Ca 0.28 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.27 2nnz s GLU 64 Cb -0.07 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2nnz s GLU 64 CO -0.08 -0.15 0.00 -1.71 0.95 0.00 0.00 175.26 174.27 2nnz n ASN 65 N 0.87 0.00 -1.87 0.83 2.85 -1.26 -4.89 115.26 111.79 2nnz n ASN 65 Ca -0.09 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.25 2nnz n ASN 65 Cb 0.58 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.61 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 3.82 -2.08 -4.94 1.20 7.64 -1.26 -4.93 113.62 113.07 2nnz n SER 66 Ca 0.00 -0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.60 2nnz n SER 66 Cb 0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 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 -0.83 3.40 0.00 1.43 0.00 0.24 -4.48 119.74 119.50 2nnz s LYS 67 Ca 0.12 -0.65 0.02 0.00 0.00 0.00 0.00 55.97 55.47 2nnz s LYS 67 Cb -0.01 -2.93 -0.01 0.00 0.00 0.00 0.00 37.83 34.88 2nnz s LYS 67 CO 0.28 0.50 0.26 -0.40 0.00 0.00 0.00 175.35 175.98 2nnz n ASP 68 N -0.72 0.47 -4.17 0.03 5.75 -1.26 0.51 116.55 117.15 2nnz n ASP 68 Ca -0.07 -0.73 -0.23 0.00 -0.01 0.00 0.00 54.79 53.74 2nnz n ASP 68 Cb 0.55 0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 41.17 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nnz s VAL 69 N -0.89 1.34 0.10 2.12 0.11 -1.26 -4.42 120.40 117.50 2nnz s VAL 69 Ca 0.02 -0.92 -0.23 0.00 -2.93 0.00 0.00 61.98 57.92 2nnz s VAL 69 Cb 0.02 -1.15 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 2nnz s VAL 69 CO 0.07 0.22 0.57 0.68 -3.33 0.00 0.00 175.10 173.31 2nnz s VAL 70 N -0.63 0.01 0.17 2.04 -7.23 -1.26 -5.10 120.40 108.40 2nnz s VAL 70 Ca 0.05 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2nnz s VAL 70 Cb -0.07 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 2nnz s VAL 70 CO 0.01 -0.06 0.42 -1.61 -0.31 0.00 0.00 175.10 173.54 2nnz s GLU 71 N -3.15 3.65 -0.07 4.82 2.02 -1.26 -4.92 118.70 119.79 2nnz s GLU 71 Ca -0.02 -0.03 -0.39 0.00 0.02 0.00 0.00 54.97 54.55 2nnz s GLU 71 Cb -0.00 -2.80 -0.17 0.00 0.10 0.00 0.00 34.13 31.25 2nnz s GLU 71 CO -0.08 0.42 1.42 -0.11 0.02 0.00 0.00 175.26 176.94 2nnz n LEU 72 N -0.06 1.55 0.00 1.80 7.94 -1.26 -2.42 117.00 124.56 2nnz n LEU 72 Ca -0.02 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.52 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.36 2nnz n LEU 72 CO 0.48 -1.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 2nnz n GLY 73 N 2.91 1.26 3.85 -3.96 0.00 -1.26 -5.10 105.19 102.89 2nnz n GLY 73 Ca 0.22 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.41 6.37 0.13 1.61 1.47 -1.01 -3.19 116.67 121.64 2nnz s ASP 74 Ca 0.00 1.55 0.07 0.00 1.18 0.00 0.00 52.55 55.35 2nnz s ASP 74 Cb 0.00 -2.50 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 2nnz s ASP 74 CO 0.00 -0.77 -0.03 -0.69 0.68 0.00 0.00 175.17 174.36 2nnz s VAL 75 N -2.79 3.66 -0.02 2.11 1.01 0.86 -4.53 120.40 120.70 2nnz s VAL 75 Ca 0.58 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2nnz s VAL 75 Cb -0.11 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2nnz s VAL 75 CO 0.40 0.01 0.36 0.00 0.00 0.00 0.00 175.10 175.87 2nnz s ALA 76 N -1.48 -0.92 -0.11 5.51 0.00 -1.25 -2.02 121.76 121.49 2nnz s ALA 76 Ca 0.25 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 2nnz s ALA 76 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2nnz s ALA 76 CO 0.17 -0.28 0.01 -0.47 0.00 0.00 0.00 175.76 175.19 2nnz s TYR 77 N -1.37 3.19 -0.51 0.00 5.04 0.16 -2.68 117.35 121.18 2nnz s TYR 77 Ca -0.13 0.15 -0.29 0.00 -2.44 0.00 0.00 57.07 54.37 2nnz s TYR 77 Cb -0.04 -1.85 0.03 0.00 0.35 0.00 0.00 41.96 40.45 2nnz s TYR 77 CO 0.05 0.40 1.21 -0.46 -1.34 0.00 0.00 175.55 175.41 2nnz s TRP 78 N -0.64 2.66 0.01 4.97 -0.11 0.35 -1.13 118.94 125.04 2nnz s TRP 78 Ca 0.11 0.60 -0.13 0.00 1.22 0.00 0.00 56.10 57.90 2nnz s TRP 78 Cb -0.12 -4.45 -0.07 0.00 -1.50 0.00 0.00 33.47 27.33 2nnz s TRP 78 CO 0.02 -1.51 0.99 0.82 -4.62 0.00 0.00 176.95 172.65 2nnz h ILE 79 N 6.25 0.00 -0.10 5.86 2.04 -1.80 -1.81 117.51 127.95 2nnz h ILE 79 Ca -0.24 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2nnz h ILE 79 Cb 1.07 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2nnz h ILE 79 CO 1.15 0.00 0.11 -2.65 0.00 0.00 0.00 178.15 176.76 2nnz n PRO 80 N -3.46 0.14 0.00 2.37 -0.02 -1.26 -0.11 135.00 132.67 2nnz n PRO 80 Ca -0.06 -1.43 0.00 0.00 -2.02 0.00 0.00 63.50 59.99 2nnz n PRO 80 Cb 0.18 -3.63 0.00 0.00 -0.02 0.00 0.00 33.50 30.03 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 6.07 0.26 3.48 -1.23 0.00 -1.26 -4.84 105.19 107.67 2nnz n GLY 81 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.26 -4.99 1.61 4.01 0.85 -4.96 118.16 110.43 2nnz n LYS 82 Ca 0.00 0.59 -0.32 0.00 -0.51 0.00 0.00 58.31 58.06 2nnz n LYS 82 Cb 0.00 -5.38 -0.15 0.00 -0.51 0.00 0.00 35.03 29.00 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 -3.09 2.47 0.30 7.82 0.00 -0.70 -4.66 121.76 123.89 2nnz s ALA 83 Ca 0.47 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 2nnz s ALA 83 Cb -0.24 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.86 2nnz s ALA 83 CO 0.58 0.40 0.65 0.42 0.00 0.00 0.00 175.76 177.81 2nnz s ILE 84 N -0.16 4.82 0.05 0.00 1.01 -1.23 0.13 121.20 125.83 2nnz s ILE 84 Ca -0.02 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.21 2nnz s ILE 84 Cb -0.14 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2nnz s ILE 84 CO 0.04 -0.21 0.08 0.00 0.00 0.00 0.00 174.94 174.85 2nnz s LEU 86 N -2.46 3.43 -0.02 0.00 0.20 -1.13 -3.82 118.68 114.90 2nnz s LEU 86 Ca -0.00 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.34 2nnz s LEU 86 Cb 0.02 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 2nnz s LEU 86 CO -0.07 -0.01 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.59 2nnz s PHE 87 N -2.22 0.41 -0.10 5.38 0.08 -1.26 -4.16 117.98 116.11 2nnz s PHE 87 Ca 0.32 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.34 2nnz s PHE 87 Cb -0.07 -0.37 0.12 0.00 -0.57 0.00 0.00 43.02 42.13 2nnz s PHE 87 CO 0.22 -0.08 0.83 1.19 -0.10 0.00 0.00 175.22 177.27 2nnz n PHE 88 N 3.58 -0.62 -1.21 0.36 3.72 -1.26 -4.60 117.46 117.43 2nnz n PHE 88 Ca -0.20 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 2nnz n PHE 88 Cb 0.54 0.78 0.00 0.00 -0.94 0.00 0.00 39.48 39.87 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnz n GLY 89 N -0.47 -0.30 0.38 1.37 0.00 -1.26 -4.95 105.19 99.96 2nnz n GLY 89 Ca -0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.93 -2.34 1.61 -0.00 -1.26 -4.88 118.16 110.36 2nnz n LYS 90 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.31 58.16 2nnz n LYS 90 Cb 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 35.03 34.84 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 -2.95 0.00 -0.02 0.58 -2.24 -1.25 -4.31 114.28 104.09 2nnz n THR 91 Ca 0.01 -0.35 0.22 0.00 -2.27 0.00 0.00 64.05 61.66 2nnz n THR 91 Cb 0.05 0.39 0.51 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.77 -0.78 0.11 -1.85 -2.70 132.00 125.01 2nnz h PRO 92 Ca -0.14 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.45 2nnz h PRO 92 Cb 0.54 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.28 2nnz h PRO 92 CO 0.18 0.00 -1.04 -0.89 -0.21 0.00 0.00 178.00 176.03 2nnz n ILE 93 N -3.26 -0.62 0.00 4.15 -0.00 -1.26 -5.02 119.36 113.35 2nnz n ILE 93 Ca 0.14 -3.73 0.00 0.00 -0.00 0.00 0.00 62.75 59.16 2nnz n ILE 93 Cb 1.11 -1.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.19 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2nnz n SER 94 N 1.43 0.00 0.00 4.38 7.64 -1.02 -3.77 113.62 122.28 2nnz n SER 94 Ca 0.20 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2nnz n SER 94 Cb 0.54 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2nnz n SER 94 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nnz n ASP 95 N -0.99 0.00 0.00 6.43 2.03 -1.26 -0.70 116.55 122.06 2nnz n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2nnz n ASP 95 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2nnz n ASP 96 N 5.95 0.41 -0.97 1.67 2.03 -1.26 -5.08 116.55 119.30 2nnz n ASP 96 Ca 0.00 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2nnz n ASP 96 Cb 0.00 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2nnz n LYS 97 N -0.48 0.00 -3.93 -0.67 4.76 0.13 -5.13 118.16 112.83 2nnz n LYS 97 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 2nnz n LYS 97 Cb 0.01 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.07 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2nnz s ILE 98 N -2.25 2.74 -0.52 -0.18 1.01 -1.26 -4.15 121.20 116.59 2nnz s ILE 98 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 2nnz s ILE 98 Cb 0.00 -2.80 0.13 0.00 0.01 0.00 0.00 42.46 39.80 2nnz s ILE 98 CO 0.00 -0.41 0.44 -0.13 0.00 0.00 0.00 174.94 174.84 2nnz s ARG 99 N 1.10 2.77 0.29 2.79 0.52 -1.25 -4.67 118.95 120.49 2nnz s ARG 99 Ca 0.03 -1.80 0.08 0.00 -0.52 0.00 0.00 55.73 53.52 2nnz s ARG 99 Cb -0.20 -4.12 0.42 0.00 0.52 0.00 0.00 34.95 31.57 2nnz s ARG 99 CO -0.05 -1.26 1.66 -1.00 0.02 0.00 0.00 175.30 174.67 2nnz h PRO 100 N 8.58 0.14 0.00 3.54 0.13 -1.94 -3.36 132.00 139.09 2nnz h PRO 100 Ca -0.23 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2nnz h PRO 100 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnz h PRO 100 CO 0.93 0.62 0.00 0.00 -0.23 0.00 0.00 178.00 179.32 2nnz n ALA 101 N -2.46 0.00 0.47 -0.56 0.00 -1.26 -4.84 120.51 111.86 2nnz n ALA 101 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2nnz n ALA 101 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 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 0.04 0.65 -2.72 0.00 7.64 -1.26 -4.73 113.62 113.23 2nnz n SER 102 Ca 0.00 -0.83 -0.06 0.00 1.01 0.00 0.00 58.87 58.99 2nnz n SER 102 Cb 0.00 0.88 0.05 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.00 -2.33 -2.35 -0.43 0.00 -1.26 -4.61 120.51 108.53 2nnz n ALA 103 Ca 0.02 -0.90 -0.31 0.00 0.00 0.00 0.00 53.44 52.25 2nnz n ALA 103 Cb 0.17 -2.10 -0.15 0.00 0.00 0.00 0.00 19.45 17.37 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 0.55 2.23 0.36 0.00 -7.23 0.18 -3.66 120.40 112.84 2nnz s VAL 104 Ca 0.29 -1.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.17 2nnz s VAL 104 Cb 0.19 -1.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 2nnz s VAL 104 CO -0.16 0.52 0.81 0.20 -0.31 0.00 0.00 175.10 176.16 2nnz s ASN 105 N -0.81 6.81 -0.85 4.85 0.02 -0.29 0.80 114.94 125.48 2nnz s ASN 105 Ca 0.11 1.41 -0.22 0.00 -1.02 0.00 0.00 52.86 53.14 2nnz s ASN 105 Cb -0.10 -2.43 0.08 0.00 0.02 0.00 0.00 41.25 38.82 2nnz s ASN 105 CO 0.00 -0.27 1.19 0.68 0.02 0.00 0.00 177.10 178.72 2nnz s VAL 106 N -2.07 4.26 -0.54 1.60 -7.23 -1.26 0.36 120.40 115.52 2nnz s VAL 106 Ca 0.57 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 2nnz s VAL 106 Cb -0.10 -4.85 0.01 0.00 0.56 0.00 0.00 36.38 32.00 2nnz s VAL 106 CO 0.17 -1.66 0.74 0.00 -0.31 0.00 0.00 175.10 174.04 2nnz n ILE 107 N 6.10 0.49 0.00 -0.62 3.06 -0.86 -4.69 119.36 122.85 2nnz n ILE 107 Ca 0.16 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.39 2nnz n ILE 107 Cb 0.49 -0.72 0.00 0.00 0.54 0.00 0.00 39.64 39.94 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 0.22 0.13 3.69 4.50 0.00 -1.22 -4.10 105.19 108.41 2nnz n GLY 108 Ca 0.01 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 1.60 -0.37 1.61 0.52 -1.25 -0.10 118.95 120.97 2nnz s ARG 109 Ca 0.00 -0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 54.05 2nnz s ARG 109 Cb 0.00 0.55 0.00 0.00 0.52 0.00 0.00 34.95 36.02 2nnz s ARG 109 CO 0.00 -0.70 0.46 0.42 0.02 0.00 0.00 175.30 175.50 2nnz s ILE 110 N -3.92 5.06 0.00 1.52 1.09 -1.19 -1.78 121.20 121.98 2nnz s ILE 110 Ca 0.13 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 2nnz s ILE 110 Cb -0.03 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 2nnz s ILE 110 CO 0.04 -0.24 0.00 1.33 -0.10 0.00 0.00 174.94 175.97 2nnz n VAL 111 N 5.40 0.00 -1.20 2.92 0.24 -1.26 -4.58 118.33 119.85 2nnz n VAL 111 Ca -0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.88 2nnz n VAL 111 Cb 0.49 -0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.64 7.99 0.00 -1.34 6.94 -1.26 -3.33 115.26 123.62 2nnz n ASN 112 Ca 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.04 2nnz n ASN 112 Cb 0.00 -1.47 0.00 0.00 -2.36 0.00 0.00 39.78 35.95 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 3.73 0.00 -3.44 0.53 7.64 -1.26 -4.65 113.62 116.17 2nnz n SER 113 Ca 0.72 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.25 2nnz n SER 113 Cb 0.21 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 2nnz n SER 113 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2nnz n MET 114 N 0.00 2.06 -0.48 1.43 0.00 -1.21 -4.55 117.12 114.38 2nnz n MET 114 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 57.70 55.88 2nnz n MET 114 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 33.22 30.44 2nnz n MET 114 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2nnz n GLU 115 N 5.55 0.72 -2.24 3.17 4.07 -1.26 -5.04 120.64 125.62 2nnz n GLU 115 Ca 0.50 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 57.34 2nnz n GLU 115 Cb 0.28 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.68 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nnz n GLY 116 N 5.00 6.15 0.44 8.31 0.00 -1.26 -4.85 105.19 118.97 2nnz n GLY 116 Ca 0.00 -2.71 0.34 0.00 0.00 0.00 0.00 46.02 43.66 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 2.42 0.29 -1.48 0.99 6.46 -1.95 0.14 115.31 122.17 2nnz h LEU 117 Ca 0.35 0.15 0.35 0.00 -0.12 0.00 0.00 57.88 58.61 2nnz h LEU 117 Cb 1.13 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 41.14 2nnz h LEU 117 CO 0.86 -0.19 1.14 0.07 -0.62 0.00 0.00 178.44 179.71 2nnz h LYS 118 N 0.12 0.00 -1.25 1.25 5.09 -1.89 0.32 116.57 120.21 2nnz h LYS 118 Ca 0.80 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 61.33 2nnz h LYS 118 Cb 2.40 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 34.62 2nnz h LYS 118 CO -0.46 0.00 0.27 0.41 -2.09 0.00 0.00 179.45 177.58 2nnz n GLY 119 N -1.75 3.24 3.84 0.07 0.00 0.49 -4.44 105.19 106.64 2nnz n GLY 119 Ca 0.27 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.43 4.53 0.43 1.61 -7.23 0.11 -5.04 120.40 113.39 2nnz s VAL 120 Ca 0.22 1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 61.37 2nnz s VAL 120 Cb 0.18 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.33 2nnz s VAL 120 CO 0.02 -0.64 1.08 0.00 -0.31 0.00 0.00 175.10 175.25 2nnz s ALA 121 N -2.57 3.01 0.23 1.32 0.00 -1.26 -4.95 121.76 117.54 2nnz s ALA 121 Ca 0.59 0.75 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 2nnz s ALA 121 Cb -0.10 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 2nnz s ALA 121 CO 0.30 -0.36 1.37 -0.40 0.00 0.00 0.00 175.76 176.66 2nnz n ASP 122 N -0.35 2.50 -2.69 0.00 5.75 -1.26 -4.27 116.55 116.23 2nnz n ASP 122 Ca 0.06 1.14 -0.05 0.00 -0.01 0.00 0.00 54.79 55.94 2nnz n ASP 122 Cb 0.50 -1.39 -0.04 0.00 -1.03 0.00 0.00 41.12 39.16 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 2.15 -4.45 3.13 6.12 0.00 -1.26 -4.99 105.19 105.89 2nnz n GLY 123 Ca 0.12 1.48 -0.10 0.00 0.00 0.00 0.00 46.02 47.53 2nnz n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nnz s GLU 124 N -0.65 0.58 0.80 1.61 0.41 -1.22 -5.01 118.70 115.22 2nnz s GLU 124 Ca -0.23 -0.62 -0.12 0.00 -0.41 0.00 0.00 54.97 53.59 2nnz s GLU 124 Cb 0.02 0.23 0.08 0.00 -1.78 0.00 0.00 34.13 32.67 2nnz s GLU 124 CO 0.68 -0.15 1.14 0.45 -0.49 0.00 0.00 175.26 176.89 2nnz s SER 125 N -1.89 3.97 -0.13 -0.19 0.15 -1.26 -0.76 113.70 113.59 2nnz s SER 125 Ca -0.08 2.08 -0.06 0.00 0.70 0.00 0.00 55.95 58.59 2nnz s SER 125 Cb -0.03 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2nnz s SER 125 CO -0.03 -2.40 0.30 -0.69 1.20 0.00 0.00 173.24 171.62 2nnz s VAL 126 N -2.56 -0.07 -0.27 4.45 1.01 0.32 -4.48 120.40 118.79 2nnz s VAL 126 Ca 0.66 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.80 2nnz s VAL 126 Cb -0.22 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 35.78 2nnz s VAL 126 CO 0.53 0.06 -0.01 0.68 0.00 0.00 0.00 175.10 176.35 2nnz s VAL 127 N 1.40 1.69 -0.05 2.92 -7.23 -1.25 0.15 120.40 118.03 2nnz s VAL 127 Ca -0.09 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.24 2nnz s VAL 127 Cb -0.10 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2nnz s VAL 127 CO -0.10 -0.30 0.89 -0.69 -0.31 0.00 0.00 175.10 174.60 2nnz s VAL 128 N 1.27 4.91 -0.20 1.32 1.01 -0.81 -3.82 120.40 124.08 2nnz s VAL 128 Ca 0.00 1.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.75 2nnz s VAL 128 Cb -0.19 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.04 2nnz s VAL 128 CO -0.09 0.15 0.46 -1.83 0.00 0.00 0.00 175.10 173.79 2nnz s GLU 129 N 1.17 0.41 -0.81 2.72 -1.05 -0.86 -1.15 118.70 119.13 2nnz s GLU 129 Ca 0.46 0.98 -0.25 0.00 -0.15 0.00 0.00 54.97 56.02 2nnz s GLU 129 Cb -0.19 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 2nnz s GLU 129 CO 0.23 -0.20 1.73 0.50 0.95 0.00 0.00 175.26 178.47 2nnz s ARG 130 N 2.05 2.86 0.00 -4.83 3.00 -1.26 0.07 118.95 120.83 2nnz s ARG 130 Ca -0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.53 2nnz s ARG 130 Cb -0.10 -4.76 0.00 0.00 0.00 0.00 0.00 34.95 30.09 2nnz s ARG 130 CO -0.14 -2.78 0.00 0.00 0.00 0.00 0.00 175.30 172.38