#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 1.64 0.45 3.03 0.00 -1.26 -4.87 105.19 104.19 2nnz n GLY 2 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 0.25 -1.63 1.61 -0.58 -1.26 -4.99 120.64 114.04 2nnz n GLU 3 Ca 0.00 0.10 -0.19 0.00 -0.42 0.00 0.00 57.16 56.64 2nnz n GLU 3 Cb 0.00 -0.88 -0.08 0.00 -0.57 0.00 0.00 31.44 29.91 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2nnz n ARG 4 N -3.71 -1.45 0.00 3.49 3.00 -1.26 -4.10 116.66 112.62 2nnz n ARG 4 Ca -0.06 1.13 0.00 0.00 -0.01 0.00 0.00 57.85 58.90 2nnz n ARG 4 Cb 0.24 -5.51 0.00 0.00 0.00 0.00 0.00 32.46 27.19 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 -0.41 0.02 2.65 -0.13 0.00 -1.26 -5.03 105.19 101.03 2nnz n GLY 5 Ca -0.20 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 2.92 -2.70 1.61 0.24 -1.26 -4.53 118.33 114.61 2nnz n VAL 6 Ca 0.00 -5.43 -0.06 0.00 -2.04 0.00 0.00 64.34 56.81 2nnz n VAL 6 Cb 0.00 -1.82 0.07 0.00 -1.47 0.00 0.00 33.84 30.62 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 0.42 1.28 -3.83 7.34 -0.00 -1.26 -4.84 120.64 119.76 2nnz n GLU 7 Ca 0.31 -2.72 -0.36 0.00 -0.00 0.00 0.00 57.16 54.39 2nnz n GLU 7 Cb 0.39 -0.82 -0.13 0.00 -0.00 0.00 0.00 31.44 30.88 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 -2.04 3.04 0.04 3.44 1.75 -1.20 -4.97 119.30 119.35 2nnz s MET 8 Ca 0.24 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.87 2nnz s MET 8 Cb 0.42 -3.23 -0.03 0.00 2.84 0.00 0.00 34.83 34.83 2nnz s MET 8 CO -0.03 -0.41 -0.15 -0.98 -0.65 0.00 0.00 175.02 172.81 2nnz s ARG 9 N 1.45 2.18 0.30 4.11 1.04 -1.26 0.23 118.95 127.00 2nnz s ARG 9 Ca 0.02 -0.93 0.09 0.00 -1.04 0.00 0.00 55.73 53.87 2nnz s ARG 9 Cb -0.17 -2.26 -0.06 0.00 -2.04 0.00 0.00 34.95 30.42 2nnz s ARG 9 CO 0.00 0.55 -0.11 -0.51 -0.04 0.00 0.00 175.30 175.20 2nnz s LEU 10 N -1.48 2.62 -0.01 -1.89 1.43 -0.52 -4.45 118.68 114.38 2nnz s LEU 10 Ca 0.16 -1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2nnz s LEU 10 Cb -0.11 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 2nnz s LEU 10 CO 0.06 -0.20 0.05 -0.60 0.23 0.00 0.00 176.35 175.89 2nnz s ARG 11 N -3.63 2.99 -0.29 1.70 3.00 0.35 -2.87 118.95 120.19 2nnz s ARG 11 Ca 0.30 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.73 54.52 2nnz s ARG 11 Cb 0.01 -2.81 0.13 0.00 0.00 0.00 0.00 34.95 32.28 2nnz s ARG 11 CO 0.14 0.65 0.27 0.42 0.00 0.00 0.00 175.30 176.78 2nnz s ILE 12 N -1.13 -0.34 0.19 4.11 1.01 -1.05 -1.56 121.20 122.43 2nnz s ILE 12 Ca 0.21 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2nnz s ILE 12 Cb -0.12 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2nnz s ILE 12 CO 0.12 -0.51 0.07 0.00 0.00 0.00 0.00 174.94 174.61 2nnz s ARG 13 N 2.32 2.62 0.03 2.79 1.70 -1.25 -3.00 118.95 124.15 2nnz s ARG 13 Ca 0.09 -1.06 0.06 0.00 -0.47 0.00 0.00 55.73 54.35 2nnz s ARG 13 Cb -0.14 -2.45 -0.02 0.00 -0.57 0.00 0.00 34.95 31.76 2nnz s ARG 13 CO -0.34 0.44 -0.18 -0.06 -1.08 0.00 0.00 175.30 174.09 2nnz s PHE 14 N -1.87 1.60 0.57 5.89 0.40 0.41 -3.56 117.98 121.42 2nnz s PHE 14 Ca 0.30 -0.35 0.41 0.00 -0.60 0.00 0.00 56.93 56.69 2nnz s PHE 14 Cb -0.09 -0.97 1.51 0.00 0.51 0.00 0.00 43.02 43.97 2nnz s PHE 14 CO 0.21 0.05 1.58 0.93 0.70 0.00 0.00 175.22 178.69 2nnz h GLU 15 N 5.12 0.00 0.00 0.44 3.07 -1.95 0.60 114.58 121.87 2nnz h GLU 15 Ca -0.40 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 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 0.45 0.00 -0.20 0.45 -1.40 0.00 0.00 179.01 178.31 2nnz n SER 16 N -3.82 2.00 -3.60 1.42 2.88 -1.26 -5.06 113.62 106.18 2nnz n SER 16 Ca 0.34 -3.23 -0.05 0.00 -1.33 0.00 0.00 58.87 54.60 2nnz n SER 16 Cb 1.67 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 64.66 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 -2.74 -2.05 0.02 -1.46 0.00 0.21 -5.02 121.76 110.72 2nnz s ALA 17 Ca 0.32 1.68 0.06 0.00 0.00 0.00 0.00 51.96 54.01 2nnz s ALA 17 Cb 0.29 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2nnz s ALA 17 CO -0.01 -0.42 -0.17 -1.83 0.00 0.00 0.00 175.76 173.34 2nnz s GLU 18 N -1.69 1.22 -0.10 0.00 -1.05 -1.26 0.16 118.70 115.98 2nnz s GLU 18 Ca 0.07 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 53.87 2nnz s GLU 18 Cb -0.01 -1.24 0.09 0.00 -0.44 0.00 0.00 34.13 32.54 2nnz s GLU 18 CO -0.04 0.32 0.80 0.00 0.95 0.00 0.00 175.26 177.29 2nnz s GLU 20 N -1.08 1.53 -0.15 0.00 2.02 -1.26 -2.53 118.70 117.22 2nnz s GLU 20 Ca -0.07 -1.64 -0.19 0.00 0.02 0.00 0.00 54.97 53.09 2nnz s GLU 20 Cb -0.00 -1.61 0.05 0.00 0.10 0.00 0.00 34.13 32.67 2nnz s GLU 20 CO 0.07 0.31 0.51 0.54 0.02 0.00 0.00 175.26 176.71 2nnz s VAL 21 N -2.36 0.01 0.62 2.63 0.11 -1.14 -3.80 120.40 116.46 2nnz s VAL 21 Ca 0.25 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2nnz s VAL 21 Cb -0.05 -0.75 0.12 0.00 -1.53 0.00 0.00 36.38 34.17 2nnz s VAL 21 CO 0.11 -0.04 0.84 -0.62 -3.33 0.00 0.00 175.10 172.07 2nnz n GLU 22 N 2.31 0.03 -3.72 1.54 1.02 -0.67 -1.44 120.64 119.71 2nnz n GLU 22 Ca -0.15 -2.33 -0.13 0.00 -0.02 0.00 0.00 57.16 54.52 2nnz n GLU 22 Cb 0.56 -0.55 -0.09 0.00 -0.02 0.00 0.00 31.44 31.34 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 0.26 0.03 -4.62 2.96 0.14 -3.68 118.68 113.76 2nnz s LEU 23 Ca 0.56 0.90 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 2nnz s LEU 23 Cb -0.03 1.57 -0.03 0.00 0.50 0.00 0.00 46.19 48.21 2nnz s LEU 23 CO 0.37 -0.17 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.67 2nnz s TYR 24 N 0.18 2.20 -1.15 5.38 2.02 -1.26 -3.26 117.35 121.46 2nnz s TYR 24 Ca -0.01 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2nnz s TYR 24 Cb -0.03 -1.34 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2nnz s TYR 24 CO 0.01 0.07 0.96 0.39 -1.57 0.00 0.00 175.55 175.41 2nnz n GLU 25 N 2.00 0.00 -0.44 -0.62 -0.58 -1.26 -3.24 120.64 116.50 2nnz n GLU 25 Ca -0.17 0.41 0.41 0.00 -0.42 0.00 0.00 57.16 57.40 2nnz n GLU 25 Cb 0.52 -1.50 0.76 0.00 -0.57 0.00 0.00 31.44 30.65 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 -1.95 0.38 114.58 120.68 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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 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 -0.09 0.00 2.06 -0.00 -1.88 -3.42 115.95 112.63 2nnz h TRP 27 Ca 0.68 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.57 2nnz h TRP 27 Cb 2.81 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 32.00 2nnz h TRP 27 CO 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 178.44 178.88 2nnz n ALA 28 N -2.62 0.00 -0.35 2.65 0.00 0.13 -4.66 120.51 115.66 2nnz n ALA 28 Ca -0.07 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.66 2nnz n ALA 28 Cb 0.27 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.32 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2nnz h PRO 29 N 0.00 0.23 -0.35 0.00 0.13 -1.93 0.23 132.00 130.30 2nnz h PRO 29 Ca 0.00 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 2nnz h PRO 29 Cb 0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 2nnz h PRO 29 CO 0.00 0.15 -0.29 1.49 -0.23 0.00 0.00 178.00 179.12 2nnz h GLU 30 N 0.23 0.75 -0.28 0.86 4.81 -1.95 -3.07 114.58 115.94 2nnz h GLU 30 Ca 0.63 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2nnz h GLU 30 Cb 1.92 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 2nnz h GLU 30 CO -0.24 0.95 -0.16 1.79 -0.73 0.00 0.00 179.01 180.61 2nnz h THR 31 N 0.64 1.30 -1.00 0.32 1.35 -0.94 -2.99 112.91 111.58 2nnz h THR 31 Ca 0.08 -1.28 0.22 0.00 -0.55 0.00 0.00 66.41 64.88 2nnz h THR 31 Cb 0.81 1.53 -0.11 0.00 -1.73 0.00 0.00 68.15 68.66 2nnz h THR 31 CO 0.07 0.40 0.62 0.58 -0.25 0.00 0.00 175.52 176.94 2nnz h VAL 32 N 0.33 0.62 -0.67 6.82 2.07 -1.35 0.26 116.25 124.34 2nnz h VAL 32 Ca 0.06 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2nnz h VAL 32 Cb 0.69 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2nnz h VAL 32 CO 0.05 0.11 0.44 -0.09 0.02 0.00 0.00 177.57 178.10 2nnz h ARG 33 N 0.61 0.58 -0.15 1.57 2.43 -1.43 -1.68 114.38 116.30 2nnz h ARG 33 Ca 0.59 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.69 2nnz h ARG 33 Cb 1.14 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2nnz h ARG 33 CO -0.38 0.38 -0.05 0.00 -1.51 0.00 0.00 179.97 178.42 2nnz h ALA 34 N 1.65 0.21 -0.24 2.80 0.00 -0.55 0.13 119.26 123.26 2nnz h ALA 34 Ca 0.30 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2nnz h ALA 34 Cb 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2nnz h ALA 34 CO -0.10 -0.02 0.01 0.82 0.00 0.00 0.00 179.25 179.96 2nnz h ILE 35 N -0.01 0.84 0.00 0.00 1.08 -1.24 0.04 117.51 118.22 2nnz h ILE 35 Ca 0.04 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.45 2nnz h ILE 35 Cb 0.49 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2nnz h ILE 35 CO 0.02 0.02 -0.15 0.00 -0.69 0.00 0.00 178.15 177.34 2nnz h ALA 36 N 1.20 1.72 0.00 1.87 0.00 -1.28 -0.87 119.26 121.89 2nnz h ALA 36 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2nnz h ALA 36 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2nnz h ALA 36 CO -0.18 0.19 -0.30 0.22 0.00 0.00 0.00 179.25 179.18 2nnz h ASP 37 N 0.00 0.00 -2.01 0.00 1.82 0.85 -3.22 116.42 113.86 2nnz h ASP 37 Ca -0.00 0.00 -0.77 0.00 -0.39 0.00 0.00 57.03 55.87 2nnz h ASP 37 Cb 0.27 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 40.02 2nnz h ASP 37 CO 0.02 0.30 1.05 0.00 -1.61 0.00 0.00 179.24 179.00 2nnz n ALA 38 N -2.29 6.41 -1.00 -0.78 0.00 -0.33 -5.01 120.51 117.52 2nnz n ALA 38 Ca -0.01 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2nnz n ALA 38 Cb 0.44 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.31 0.00 -1.74 0.00 4.77 -1.22 -4.56 117.00 113.95 2nnz n LEU 39 Ca 0.52 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.29 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 -0.45 0.76 -2.65 -1.33 0.00 0.00 177.39 174.23 2nnz n PRO 40 N 0.00 0.00 -3.79 3.23 -0.02 -0.44 -4.53 135.00 129.45 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 -0.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.79 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 2.82 0.07 0.07 4.25 1.01 -0.46 -4.96 121.20 124.00 2nnz s ILE 41 Ca 0.50 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 2nnz s ILE 41 Cb -0.57 -0.58 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 2nnz s ILE 41 CO 0.24 -0.30 0.71 -0.54 0.00 0.00 0.00 174.94 175.05 2nnz s LYS 42 N -1.41 4.45 -0.01 2.79 1.02 -1.26 -2.00 119.74 123.31 2nnz s LYS 42 Ca -0.13 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.75 2nnz s LYS 42 Cb -0.06 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.03 0.43 0.19 -1.54 -0.92 0.00 0.00 175.35 173.54 2nnz s SER 43 N -0.53 -0.05 -0.19 2.83 1.04 0.34 -4.89 113.70 112.25 2nnz s SER 43 Ca 0.35 -0.08 -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 0.10 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.25 5.13 -0.07 2.02 2.01 -1.26 0.29 115.64 122.50 2nnz s THR 44 Ca -0.13 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2nnz s THR 44 Cb -0.06 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2nnz s THR 44 CO 0.02 0.46 0.47 0.00 -0.69 0.00 0.00 174.62 174.88 2nnz s ALA 45 N 0.30 3.53 -0.20 7.40 0.00 -0.51 -4.31 121.76 127.99 2nnz s ALA 45 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 2nnz s ALA 45 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2nnz s ALA 45 CO -0.01 0.14 0.08 -0.80 0.00 0.00 0.00 175.76 175.17 2nnz s ASN 46 N 0.09 5.66 0.05 0.00 0.01 -1.23 -3.38 114.94 116.14 2nnz s ASN 46 Ca 0.26 0.06 -0.20 0.00 -0.71 0.00 0.00 52.86 52.27 2nnz s ASN 46 Cb -0.16 -1.98 -0.06 0.00 0.41 0.00 0.00 41.25 39.46 2nnz s ASN 46 CO 0.12 0.14 0.60 -0.13 -1.51 0.00 0.00 177.10 176.32 2nnz s ARG 47 N 0.57 4.28 -0.05 -0.60 1.81 -1.26 -3.56 118.95 120.13 2nnz s ARG 47 Ca 0.04 0.78 -0.23 0.00 -1.72 0.00 0.00 55.73 54.60 2nnz s ARG 47 Cb -0.13 -3.28 0.05 0.00 -0.45 0.00 0.00 34.95 31.14 2nnz s ARG 47 CO 0.01 0.54 0.51 -0.46 -0.68 0.00 0.00 175.30 175.22 2nnz s TRP 48 N -0.78 -0.45 -0.87 -0.53 -0.11 -0.23 -4.97 118.94 111.00 2nnz s TRP 48 Ca 0.30 0.80 -0.21 0.00 1.22 0.00 0.00 56.10 58.21 2nnz s TRP 48 Cb -0.19 0.26 -0.22 0.00 -1.50 0.00 0.00 33.47 31.81 2nnz s TRP 48 CO 0.19 -0.48 2.20 0.41 -4.62 0.00 0.00 176.95 174.65 2nnz n GLY 49 N 1.25 -0.43 2.24 5.86 0.00 -1.26 0.13 105.19 112.98 2nnz n GLY 49 Ca -0.20 0.72 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 7.86 -3.95 -3.91 1.61 -0.08 -1.26 -3.91 116.55 112.90 2nnz n ASP 50 Ca 0.58 0.26 -0.16 0.00 -1.51 0.00 0.00 54.79 53.95 2nnz n ASP 50 Cb 0.05 -3.51 -0.15 0.00 2.34 0.00 0.00 41.12 39.86 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2nnz s GLU 51 N -4.03 0.38 -0.03 -0.67 -6.30 0.35 -3.68 118.70 104.72 2nnz s GLU 51 Ca 0.00 -0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.37 2nnz s GLU 51 Cb 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 34.13 33.75 2nnz s GLU 51 CO 0.00 0.03 0.01 -1.50 0.02 0.00 0.00 175.26 173.82 2nnz s ILE 52 N 0.23 0.11 -0.05 -3.70 1.10 -1.18 -1.06 121.20 116.64 2nnz s ILE 52 Ca -0.02 0.13 -0.01 0.00 -0.51 0.00 0.00 60.65 60.24 2nnz s ILE 52 Cb -0.05 -0.22 0.03 0.00 0.15 0.00 0.00 42.46 42.36 2nnz s ILE 52 CO -0.00 0.13 0.03 -0.72 -2.11 0.00 0.00 174.94 172.26 2nnz s TYR 53 N 1.08 0.33 0.04 3.50 -0.85 -1.23 -2.69 117.35 117.53 2nnz s TYR 53 Ca -0.09 0.05 0.04 0.00 -0.52 0.00 0.00 57.07 56.55 2nnz s TYR 53 Cb -0.13 -0.58 -0.02 0.00 0.38 0.00 0.00 41.96 41.61 2nnz s TYR 53 CO -0.02 -0.23 -0.13 -0.59 -1.52 0.00 0.00 175.55 173.06 2nnz s PHE 54 N 1.85 1.10 0.17 -3.49 -0.12 -1.18 -3.51 117.98 112.81 2nnz s PHE 54 Ca 0.02 -0.37 -0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2nnz s PHE 54 Cb -0.12 -0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 41.55 2nnz s PHE 54 CO -0.04 0.02 0.47 0.99 -0.05 0.00 0.00 175.22 176.61 2nnz s THR 55 N -0.91 5.03 0.00 -4.49 2.01 -1.26 -3.62 115.64 112.39 2nnz s THR 55 Ca -0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2nnz s THR 55 Cb -0.08 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2nnz s THR 55 CO 0.01 0.04 0.72 0.35 -0.69 0.00 0.00 174.62 175.06 2nnz n THR 56 N 0.16 0.52 -0.17 -0.82 -2.24 -1.26 -4.39 114.28 106.08 2nnz n THR 56 Ca -0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2nnz n THR 56 Cb 0.52 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.90 -0.78 6.02 -1.26 -5.00 117.38 113.20 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 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 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 -3.03 4.69 -0.64 5.09 0.11 -1.26 -5.00 120.40 120.36 2nnz s VAL 58 Ca 0.00 1.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.96 2nnz s VAL 58 Cb 0.00 -4.25 0.16 0.00 -1.53 0.00 0.00 36.38 30.77 2nnz s VAL 58 CO 0.00 -0.44 0.57 0.00 -3.33 0.00 0.00 175.10 171.90 2nnz s ALA 59 N 3.21 3.77 -0.23 1.54 0.00 -1.26 -4.85 121.76 123.93 2nnz s ALA 59 Ca 0.34 -2.85 -0.02 0.00 0.00 0.00 0.00 51.96 49.43 2nnz s ALA 59 Cb -0.13 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2nnz s ALA 59 CO 0.17 -2.10 0.05 0.54 0.00 0.00 0.00 175.76 174.41 2nnz s VAL 60 N 0.98 0.70 -0.04 0.00 0.11 -1.26 -5.12 120.40 115.77 2nnz s VAL 60 Ca 0.09 -0.87 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2nnz s VAL 60 Cb -0.22 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2nnz s VAL 60 CO -0.02 -0.35 -0.10 -1.61 -3.33 0.00 0.00 175.10 169.69 2nnz s GLU 61 N 1.75 1.23 0.16 1.54 2.02 -1.26 -4.74 118.70 119.40 2nnz s GLU 61 Ca 0.02 -0.34 -0.06 0.00 0.02 0.00 0.00 54.97 54.60 2nnz s GLU 61 Cb -0.17 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 2nnz s GLU 61 CO -0.14 0.08 0.21 0.21 0.02 0.00 0.00 175.26 175.65 2nnz s LYS 62 N 0.39 1.10 -0.84 1.61 2.20 -1.26 -5.11 119.74 117.83 2nnz s LYS 62 Ca -0.07 -1.27 -0.14 0.00 -0.36 0.00 0.00 55.97 54.12 2nnz s LYS 62 Cb -0.12 0.33 0.21 0.00 -1.51 0.00 0.00 37.83 36.75 2nnz s LYS 62 CO 0.01 -0.38 0.80 -1.21 -0.36 0.00 0.00 175.35 174.22 2nnz s GLU 63 N -4.00 3.61 -0.09 4.03 8.01 -1.26 -4.98 118.70 124.02 2nnz s GLU 63 Ca 0.20 -2.40 -0.31 0.00 0.01 0.00 0.00 54.97 52.47 2nnz s GLU 63 Cb 0.05 -4.47 0.12 0.00 -4.31 0.00 0.00 34.13 25.51 2nnz s GLU 63 CO 0.01 -1.33 1.01 -2.00 0.01 0.00 0.00 175.26 172.96 2nnz s GLU 64 N 0.38 0.61 0.44 1.61 2.12 -1.26 -5.04 118.70 117.56 2nnz s GLU 64 Ca 0.19 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2nnz s GLU 64 Cb -0.10 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.58 2nnz s GLU 64 CO -0.09 -0.26 0.00 -1.71 -0.54 0.00 0.00 175.26 172.66 2nnz n ASN 65 N -0.05 0.00 -1.53 -1.70 2.85 -1.26 -4.85 115.26 108.72 2nnz n ASN 65 Ca -0.06 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.34 2nnz n ASN 65 Cb 0.60 0.00 0.01 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 2.05 -1.66 -4.88 1.20 7.64 -1.26 -4.93 113.62 111.78 2nnz n SER 66 Ca 0.00 0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 2nnz n SER 66 Cb 0.00 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.53 2.99 0.00 1.43 0.00 0.20 -4.55 119.74 119.28 2nnz s LYS 67 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 54.98 2nnz s LYS 67 Cb -0.01 -2.63 0.00 0.00 0.00 0.00 0.00 37.83 35.19 2nnz s LYS 67 CO 0.15 0.28 0.00 -0.40 0.00 0.00 0.00 175.35 175.38 2nnz n ASP 68 N -1.33 1.03 -4.31 0.03 5.68 -1.26 -0.18 116.55 116.21 2nnz n ASP 68 Ca -0.05 -0.37 -0.29 0.00 -0.50 0.00 0.00 54.79 53.57 2nnz n ASP 68 Cb 0.58 0.95 -0.15 0.00 -1.14 0.00 0.00 41.12 41.37 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 -1.16 1.99 0.11 2.12 0.11 -1.26 -4.29 120.40 118.01 2nnz s VAL 69 Ca 0.00 -1.26 -0.23 0.00 -2.93 0.00 0.00 61.98 57.57 2nnz s VAL 69 Cb 0.00 -1.69 0.06 0.00 -1.53 0.00 0.00 36.38 33.22 2nnz s VAL 69 CO 0.00 0.38 0.56 0.68 -3.33 0.00 0.00 175.10 173.40 2nnz s VAL 70 N -0.74 0.02 0.31 2.04 -7.23 -1.26 -5.09 120.40 108.45 2nnz s VAL 70 Ca 0.10 -0.14 -0.14 0.00 -1.81 0.00 0.00 61.98 60.00 2nnz s VAL 70 Cb -0.10 -1.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2nnz s VAL 70 CO 0.01 -0.07 0.70 -1.61 -0.31 0.00 0.00 175.10 173.82 2nnz s GLU 71 N -3.19 3.96 -0.01 4.82 2.02 -1.26 -4.97 118.70 120.07 2nnz s GLU 71 Ca -0.01 0.59 -0.36 0.00 0.02 0.00 0.00 54.97 55.21 2nnz s GLU 71 Cb -0.00 -2.47 -0.14 0.00 0.10 0.00 0.00 34.13 31.62 2nnz s GLU 71 CO -0.08 0.18 1.66 -0.11 0.02 0.00 0.00 175.26 176.93 2nnz n LEU 72 N -0.36 2.82 0.00 1.80 7.94 -1.26 -2.45 117.00 125.49 2nnz n LEU 72 Ca 0.03 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2nnz n LEU 72 Cb 0.53 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2nnz n LEU 72 CO 0.42 -0.38 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 2nnz n GLY 73 N 3.71 1.46 3.70 -3.96 0.00 -1.26 -5.10 105.19 103.74 2nnz n GLY 73 Ca 0.21 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.34 3.25 0.17 1.61 -4.77 -1.02 -3.46 116.67 112.10 2nnz s ASP 74 Ca 0.00 1.46 0.11 0.00 -3.30 0.00 0.00 52.55 50.82 2nnz s ASP 74 Cb 0.00 -2.14 -0.04 0.00 -1.09 0.00 0.00 42.92 39.65 2nnz s ASP 74 CO 0.00 -2.78 -0.25 -0.69 0.70 0.00 0.00 175.17 172.15 2nnz s VAL 75 N -2.92 2.31 -0.03 2.11 1.01 -0.80 -4.66 120.40 117.44 2nnz s VAL 75 Ca 0.64 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 2nnz s VAL 75 Cb -0.18 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2nnz s VAL 75 CO 0.57 -0.03 0.31 0.00 0.00 0.00 0.00 175.10 175.96 2nnz s ALA 76 N -1.40 -0.78 -0.13 5.51 0.00 -1.25 -2.22 121.76 121.49 2nnz s ALA 76 Ca 0.18 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 2nnz s ALA 76 Cb -0.09 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2nnz s ALA 76 CO 0.08 -0.25 0.05 -0.47 0.00 0.00 0.00 175.76 175.17 2nnz s TYR 77 N -1.17 3.27 -0.47 0.00 5.04 0.49 -2.67 117.35 121.84 2nnz s TYR 77 Ca -0.12 0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.40 2nnz s TYR 77 Cb -0.05 -1.94 0.02 0.00 0.35 0.00 0.00 41.96 40.34 2nnz s TYR 77 CO 0.04 0.36 1.34 -0.46 -1.34 0.00 0.00 175.55 175.50 2nnz s TRP 78 N -0.34 2.47 0.00 4.97 -0.11 0.25 -1.46 118.94 124.72 2nnz s TRP 78 Ca 0.08 0.62 0.00 0.00 1.22 0.00 0.00 56.10 58.03 2nnz s TRP 78 Cb -0.12 -4.37 0.00 0.00 -1.50 0.00 0.00 33.47 27.48 2nnz s TRP 78 CO 0.02 -1.81 0.97 -0.89 -4.62 0.00 0.00 176.95 170.62 2nnz n ILE 79 N 6.97 0.00 -1.55 5.86 5.41 -1.24 -2.24 119.36 132.57 2nnz n ILE 79 Ca 0.14 1.47 -0.13 0.00 1.00 0.00 0.00 62.75 65.22 2nnz n ILE 79 Cb 0.49 -2.39 -0.09 0.00 -0.71 0.00 0.00 39.64 36.94 2nnz n ILE 79 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2nnz n PRO 80 N -2.06 0.43 0.00 0.38 -0.04 -1.26 -0.62 135.00 131.83 2nnz n PRO 80 Ca 0.00 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 2nnz n PRO 80 Cb 0.00 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 29.89 2nnz n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nnz n GLY 81 N 6.59 0.51 2.82 0.55 0.00 -1.26 -4.80 105.19 109.59 2nnz n GLY 81 Ca 0.46 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.90 -4.47 1.61 4.01 0.21 -4.94 118.16 111.69 2nnz n LYS 82 Ca 0.00 0.59 -0.34 0.00 -0.51 0.00 0.00 58.31 58.05 2nnz n LYS 82 Cb 0.00 -5.25 -0.12 0.00 -0.51 0.00 0.00 35.03 29.15 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 -2.78 2.97 0.30 7.82 0.00 -0.95 -4.68 121.76 124.44 2nnz s ALA 83 Ca 0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2nnz s ALA 83 Cb -0.09 -1.47 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 2nnz s ALA 83 CO 0.21 0.28 0.67 0.42 0.00 0.00 0.00 175.76 177.34 2nnz s ILE 84 N 0.15 4.79 0.05 0.00 1.01 -1.24 0.87 121.20 126.83 2nnz s ILE 84 Ca -0.02 0.72 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 2nnz s ILE 84 Cb -0.14 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2nnz s ILE 84 CO 0.03 -0.18 0.08 0.00 0.00 0.00 0.00 174.94 174.87 2nnz s LEU 86 N -2.35 2.04 -0.00 0.00 0.20 -1.10 -3.80 118.68 113.67 2nnz s LEU 86 Ca -0.02 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.36 2nnz s LEU 86 Cb 0.01 -1.26 -0.00 0.00 -0.43 0.00 0.00 46.19 44.50 2nnz s LEU 86 CO -0.06 0.26 -0.04 0.72 -0.29 0.00 0.00 176.35 176.94 2nnz s PHE 87 N -0.36 0.39 -0.38 5.38 -0.12 -1.26 -3.10 117.98 118.53 2nnz s PHE 87 Ca 0.03 -0.07 0.12 0.00 -0.05 0.00 0.00 56.93 56.96 2nnz s PHE 87 Cb -0.11 -0.26 0.40 0.00 -0.63 0.00 0.00 43.02 42.42 2nnz s PHE 87 CO 0.01 -0.01 1.07 1.19 -0.05 0.00 0.00 175.22 177.43 2nnz n PHE 88 N 3.00 -0.82 0.00 3.49 3.72 -1.24 -4.61 117.46 120.99 2nnz n PHE 88 Ca -0.13 -2.59 0.00 0.00 -0.05 0.00 0.00 57.45 54.68 2nnz n PHE 88 Cb 0.58 0.57 0.00 0.00 -0.94 0.00 0.00 39.48 39.69 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 -0.10 0.16 1.01 1.37 0.00 -1.26 -5.01 105.19 101.35 2nnz n GLY 89 Ca 0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.29 -2.43 1.61 -0.00 -1.26 -4.80 118.16 108.98 2nnz n LYS 90 Ca 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 58.31 57.89 2nnz n LYS 90 Cb 0.00 -0.58 0.01 0.00 -0.00 0.00 0.00 35.03 34.46 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 -3.71 0.00 0.23 0.58 -2.24 -1.25 -4.64 114.28 103.24 2nnz n THR 91 Ca 0.04 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 2nnz n THR 91 Cb 0.17 0.33 0.42 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.66 -0.78 0.11 -1.83 -2.30 132.00 125.54 2nnz h PRO 92 Ca -0.12 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.55 2nnz h PRO 92 Cb 0.50 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.26 2nnz h PRO 92 CO 0.16 0.00 -1.07 -0.89 -0.21 0.00 0.00 178.00 175.98 2nnz n ILE 93 N -2.87 -0.15 0.00 4.15 5.41 -1.26 -5.02 119.36 119.62 2nnz n ILE 93 Ca 0.04 -4.06 0.00 0.00 1.00 0.00 0.00 62.75 59.72 2nnz n ILE 93 Cb 0.83 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 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 0.32 0.00 0.00 4.38 7.64 -0.87 -4.01 113.62 121.08 2nnz n SER 94 Ca 0.22 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2nnz n SER 94 Cb 0.66 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2nnz n SER 94 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nnz n ASP 95 N -1.57 0.00 -0.02 6.43 9.92 -1.26 -1.23 116.55 128.81 2nnz n ASP 95 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 2nnz n ASP 95 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2nnz n ASP 96 N 9.26 0.34 0.00 -2.24 9.92 -1.26 -5.06 116.55 127.51 2nnz n ASP 96 Ca 0.00 -0.67 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 2nnz n ASP 96 Cb 0.00 0.85 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2nnz n LYS 97 N -0.88 0.00 -4.04 -1.24 4.01 -0.36 -5.15 118.16 110.50 2nnz n LYS 97 Ca 0.01 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.50 2nnz n LYS 97 Cb 0.06 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.42 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2nnz s ILE 98 N -0.72 1.74 -0.39 -0.18 1.01 -1.26 -4.32 121.20 117.09 2nnz s ILE 98 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2nnz s ILE 98 Cb 0.00 -1.69 0.11 0.00 0.01 0.00 0.00 42.46 40.88 2nnz s ILE 98 CO 0.00 0.35 0.14 -0.60 0.00 0.00 0.00 174.94 174.83 2nnz s ARG 99 N 1.39 1.76 0.47 2.79 6.06 -1.26 -4.70 118.95 125.47 2nnz s ARG 99 Ca 0.02 -1.90 0.16 0.00 -2.50 0.00 0.00 55.73 51.51 2nnz s ARG 99 Cb -0.14 -3.40 1.11 0.00 0.06 0.00 0.00 34.95 32.58 2nnz s ARG 99 CO -0.10 -1.01 2.04 -1.00 -2.50 0.00 0.00 175.30 172.73 2nnz h PRO 100 N 7.76 0.00 0.00 5.12 0.13 -1.95 -3.34 132.00 139.72 2nnz h PRO 100 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2nnz h PRO 100 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2nnz h PRO 100 CO 0.61 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2nnz n ALA 101 N -2.50 0.00 0.82 -0.56 0.00 -1.26 -4.78 120.51 112.23 2nnz n ALA 101 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 2nnz n ALA 101 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 2nnz n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnz n SER 102 N 0.20 1.56 -2.67 0.00 3.41 -1.26 -4.77 113.62 110.09 2nnz n SER 102 Ca 0.00 -1.28 -0.04 0.00 -0.26 0.00 0.00 58.87 57.29 2nnz n SER 102 Cb 0.00 0.59 0.04 0.00 -0.26 0.00 0.00 64.21 64.59 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz n ALA 103 N -0.38 -3.72 -2.47 7.33 0.00 -1.26 -4.79 120.51 115.21 2nnz n ALA 103 Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 2nnz n ALA 103 Cb 0.36 -3.27 -0.15 0.00 0.00 0.00 0.00 19.45 16.39 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 0.77 1.53 0.47 0.00 -7.23 0.75 -3.61 120.40 113.07 2nnz s VAL 104 Ca 0.24 -0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 59.34 2nnz s VAL 104 Cb 0.15 -1.29 -0.08 0.00 0.56 0.00 0.00 36.38 35.72 2nnz s VAL 104 CO -0.10 0.35 0.91 0.20 -0.31 0.00 0.00 175.10 176.15 2nnz s ASN 105 N -0.66 6.63 -1.21 4.85 0.01 -0.54 0.58 114.94 124.60 2nnz s ASN 105 Ca 0.07 1.45 -0.17 0.00 -0.71 0.00 0.00 52.86 53.50 2nnz s ASN 105 Cb -0.08 -2.46 0.11 0.00 0.41 0.00 0.00 41.25 39.23 2nnz s ASN 105 CO -0.00 -0.50 1.55 -0.69 -1.51 0.00 0.00 177.10 175.95 2nnz s VAL 106 N -2.49 4.48 -1.04 1.60 1.01 -1.26 -0.38 120.40 122.32 2nnz s VAL 106 Ca 0.57 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2nnz s VAL 106 Cb -0.10 -5.05 0.00 0.00 0.00 0.00 0.00 36.38 31.23 2nnz s VAL 106 CO 0.29 -1.83 0.13 0.00 0.00 0.00 0.00 175.10 173.68 2nnz n ILE 107 N 5.74 0.00 0.00 2.22 0.00 -0.94 -4.65 119.36 121.73 2nnz n ILE 107 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.16 2nnz n ILE 107 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 39.64 39.96 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 0.35 0.15 3.58 4.50 0.00 -1.20 -4.09 105.19 108.47 2nnz n GLY 108 Ca 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 2nnz n GLY 108 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2nnz s ARG 109 N 0.00 0.66 -0.34 1.61 1.70 -1.24 -1.90 118.95 119.44 2nnz s ARG 109 Ca 0.00 -0.28 -0.22 0.00 -0.47 0.00 0.00 55.73 54.76 2nnz s ARG 109 Cb 0.00 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2nnz s ARG 109 CO 0.00 -0.29 0.72 0.42 -1.08 0.00 0.00 175.30 175.07 2nnz s ILE 110 N -2.85 4.82 0.00 4.99 1.09 -1.23 -1.68 121.20 126.35 2nnz s ILE 110 Ca 0.08 0.89 0.00 0.00 -1.10 0.00 0.00 60.65 60.52 2nnz s ILE 110 Cb -0.00 -4.12 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 2nnz s ILE 110 CO -0.06 -0.30 0.05 1.33 -0.10 0.00 0.00 174.94 175.86 2nnz n VAL 111 N 5.60 0.00 -3.70 2.92 0.24 -1.25 -4.96 118.33 117.19 2nnz n VAL 111 Ca 0.01 0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.32 2nnz n VAL 111 Cb 0.48 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.50 2nnz n VAL 111 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2nnz s ASN 112 N -1.14 -0.56 0.00 -1.34 2.20 -1.26 -5.02 114.94 107.82 2nnz s ASN 112 Ca 0.00 1.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.93 2nnz s ASN 112 Cb 0.00 0.97 0.00 0.00 -2.00 0.00 0.00 41.25 40.22 2nnz s ASN 112 CO 0.00 -0.18 0.00 -0.24 -2.94 0.00 0.00 177.10 173.74 2nnz n SER 113 N 3.40 0.00 0.00 3.54 2.88 -1.26 -4.68 113.62 117.51 2nnz n SER 113 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2nnz n SER 113 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2nnz n MET 114 N 0.00 0.00 -0.81 -1.46 1.56 -1.23 -4.91 117.12 110.26 2nnz n MET 114 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.16 2nnz n MET 114 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 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 0.00 1.78 -0.18 2.12 0.28 -1.26 -3.82 120.64 119.56 2nnz n GLU 115 Ca 0.00 -1.51 0.00 0.00 -0.16 0.00 0.00 57.16 55.49 2nnz n GLU 115 Cb 0.00 -2.56 0.00 0.00 1.43 0.00 0.00 31.44 30.31 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nnz n GLY 116 N 4.01 -1.71 0.28 -1.84 0.00 -1.26 -4.88 105.19 99.79 2nnz n GLY 116 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.65 -1.21 0.99 5.85 -1.90 -1.93 115.31 117.76 2nnz h LEU 117 Ca 0.00 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.02 2nnz h LEU 117 Cb 1.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2nnz h LEU 117 CO 0.00 0.42 1.10 0.07 -0.34 0.00 0.00 178.44 179.68 2nnz h LYS 118 N 0.78 0.00 -1.01 1.25 5.09 -1.93 0.72 116.57 121.47 2nnz h LYS 118 Ca 0.33 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.80 2nnz h LYS 118 Cb 0.18 0.00 -0.16 0.00 0.10 0.00 0.00 32.23 32.36 2nnz h LYS 118 CO -0.18 0.00 0.33 0.41 -2.09 0.00 0.00 179.45 177.92 2nnz n GLY 119 N -1.68 3.28 3.78 0.07 0.00 -0.73 -4.67 105.19 105.24 2nnz n GLY 119 Ca 0.21 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.67 3.40 0.41 1.61 -7.23 0.25 -5.02 120.40 112.14 2nnz s VAL 120 Ca 0.29 0.67 -0.22 0.00 -1.81 0.00 0.00 61.98 60.91 2nnz s VAL 120 Cb 0.24 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 2nnz s VAL 120 CO 0.05 -0.38 0.96 0.00 -0.31 0.00 0.00 175.10 175.43 2nnz s ALA 121 N -2.32 3.06 -0.27 1.32 0.00 -1.26 -4.93 121.76 117.36 2nnz s ALA 121 Ca 0.67 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 2nnz s ALA 121 Cb -0.20 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 2nnz s ALA 121 CO 0.39 0.07 2.22 -0.40 0.00 0.00 0.00 175.76 178.04 2nnz n ASP 122 N -0.39 2.87 -1.53 0.00 5.75 -1.26 -4.16 116.55 117.83 2nnz n ASP 122 Ca 0.06 0.25 -0.00 0.00 -0.01 0.00 0.00 54.79 55.09 2nnz n ASP 122 Cb 0.53 -1.46 -0.00 0.00 -1.03 0.00 0.00 41.12 39.15 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 6.04 -3.17 3.34 6.12 0.00 -1.26 -4.97 105.19 111.30 2nnz n GLY 123 Ca 0.34 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.11 0.94 1.11 1.61 -1.05 -1.22 -5.02 118.70 113.97 2nnz s GLU 124 Ca -0.02 -0.31 -0.14 0.00 -0.15 0.00 0.00 54.97 54.34 2nnz s GLU 124 Cb 0.00 0.42 0.19 0.00 -0.44 0.00 0.00 34.13 34.31 2nnz s GLU 124 CO 0.07 -0.33 0.65 0.45 0.95 0.00 0.00 175.26 177.05 2nnz n SER 125 N 0.51 -1.75 -3.65 0.83 2.88 -1.26 -1.42 113.62 109.76 2nnz n SER 125 Ca -0.19 -0.03 -0.07 0.00 -1.33 0.00 0.00 58.87 57.25 2nnz n SER 125 Cb 0.60 -1.18 -0.08 0.00 -0.75 0.00 0.00 64.21 62.80 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 -2.38 -0.07 -0.24 2.46 1.01 0.14 -4.28 120.40 117.05 2nnz s VAL 126 Ca 0.63 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2nnz s VAL 126 Cb -0.20 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.33 2nnz s VAL 126 CO 0.65 0.01 -0.01 0.68 0.00 0.00 0.00 175.10 176.43 2nnz s VAL 127 N 1.67 1.31 -0.06 2.92 -7.23 -1.23 0.12 120.40 117.90 2nnz s VAL 127 Ca -0.10 -1.19 -0.27 0.00 -1.81 0.00 0.00 61.98 58.61 2nnz s VAL 127 Cb -0.06 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2nnz s VAL 127 CO -0.18 -0.23 0.85 -0.69 -0.31 0.00 0.00 175.10 174.53 2nnz s VAL 128 N 1.48 4.94 -0.20 1.32 1.01 -0.85 -3.84 120.40 124.26 2nnz s VAL 128 Ca -0.02 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 2nnz s VAL 128 Cb -0.18 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.08 2nnz s VAL 128 CO -0.09 0.17 0.49 -1.83 0.00 0.00 0.00 175.10 173.83 2nnz s GLU 129 N 1.15 0.49 -0.98 2.72 -1.05 -0.60 -1.32 118.70 119.11 2nnz s GLU 129 Ca 0.44 0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 55.89 2nnz s GLU 129 Cb -0.19 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.58 2nnz s GLU 129 CO 0.21 -0.14 1.64 0.50 0.95 0.00 0.00 175.26 178.42 2nnz s ARG 130 N 1.27 3.20 0.00 -4.83 3.00 -1.26 0.13 118.95 120.46 2nnz s ARG 130 Ca -0.08 -0.82 0.00 0.00 -1.00 0.00 0.00 55.73 53.83 2nnz s ARG 130 Cb -0.07 -5.25 0.00 0.00 0.00 0.00 0.00 34.95 29.63 2nnz s ARG 130 CO -0.12 -2.66 0.00 0.00 0.00 0.00 0.00 175.30 172.52