#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnz n GLY 2 N 0.00 0.04 0.31 3.03 0.00 -1.26 -4.98 105.19 102.33 2nnz n GLY 2 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 2nnz n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nnz n GLU 3 N 0.00 0.43 0.00 1.61 2.13 -1.26 -4.77 120.64 118.78 2nnz n GLU 3 Ca 0.00 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2nnz n GLU 3 Cb 0.00 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.47 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2nnz n ARG 4 N -4.16 0.00 0.15 5.31 3.00 -1.26 -4.00 116.66 115.69 2nnz n ARG 4 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.63 2nnz n ARG 4 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nnz n GLY 5 N 0.00 -1.72 2.39 -0.13 0.00 -1.26 -5.04 105.19 99.43 2nnz n GLY 5 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.21 1.42 -2.68 1.61 0.24 -1.26 -4.41 118.33 110.03 2nnz n VAL 6 Ca 0.00 -4.87 -0.04 0.00 -2.04 0.00 0.00 64.34 57.39 2nnz n VAL 6 Cb 0.00 -1.91 0.13 0.00 -1.47 0.00 0.00 33.84 30.58 2nnz n VAL 6 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2nnz n GLU 7 N 0.89 1.29 -3.66 7.34 -0.58 -1.25 -4.87 120.64 119.80 2nnz n GLU 7 Ca 0.27 -1.49 -0.39 0.00 -0.42 0.00 0.00 57.16 55.13 2nnz n GLU 7 Cb 0.46 0.22 -0.11 0.00 -0.57 0.00 0.00 31.44 31.43 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2nnz s MET 8 N 0.15 2.71 0.01 3.49 1.75 -1.21 -4.83 119.30 121.37 2nnz s MET 8 Ca 0.15 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.44 2nnz s MET 8 Cb 0.43 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 34.42 2nnz s MET 8 CO -0.11 -0.72 -0.01 -0.98 -0.65 0.00 0.00 175.02 172.54 2nnz s ARG 9 N 1.48 2.70 0.33 4.11 1.04 -1.26 -1.02 118.95 126.32 2nnz s ARG 9 Ca 0.01 -0.67 0.10 0.00 -1.04 0.00 0.00 55.73 54.13 2nnz s ARG 9 Cb -0.20 -2.61 -0.06 0.00 -2.04 0.00 0.00 34.95 30.04 2nnz s ARG 9 CO 0.05 0.61 -0.10 -0.48 -0.04 0.00 0.00 175.30 175.33 2nnz s LEU 10 N -1.63 2.74 0.00 -1.89 2.34 -0.31 -4.39 118.68 115.55 2nnz s LEU 10 Ca 0.20 -1.12 0.02 0.00 0.06 0.00 0.00 54.13 53.28 2nnz s LEU 10 Cb -0.11 -1.08 -0.04 0.00 -0.56 0.00 0.00 46.19 44.40 2nnz s LEU 10 CO 0.11 -0.15 -0.00 -0.60 -1.06 0.00 0.00 176.35 174.64 2nnz s ARG 11 N -3.60 2.77 -0.29 1.48 3.00 0.30 -2.80 118.95 119.81 2nnz s ARG 11 Ca 0.32 -0.62 -0.01 0.00 -1.00 0.00 0.00 55.73 54.42 2nnz s ARG 11 Cb 0.00 -2.66 0.13 0.00 0.00 0.00 0.00 34.95 32.42 2nnz s ARG 11 CO 0.17 0.62 0.26 0.42 0.00 0.00 0.00 175.30 176.77 2nnz s ILE 12 N -1.09 -0.34 0.17 4.11 1.01 -1.17 -1.39 121.20 122.50 2nnz s ILE 12 Ca 0.20 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2nnz s ILE 12 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2nnz s ILE 12 CO 0.10 -0.50 0.28 0.00 0.00 0.00 0.00 174.94 174.82 2nnz s ARG 13 N 2.32 3.37 0.00 2.79 1.70 -1.25 -3.26 118.95 124.61 2nnz s ARG 13 Ca 0.09 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 54.71 2nnz s ARG 13 Cb -0.14 -2.90 -0.01 0.00 -0.57 0.00 0.00 34.95 31.32 2nnz s ARG 13 CO -0.33 0.49 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.22 2nnz s PHE 14 N -1.80 0.97 0.57 5.89 0.40 0.48 -3.77 117.98 120.72 2nnz s PHE 14 Ca 0.34 -0.22 0.41 0.00 -0.60 0.00 0.00 56.93 56.86 2nnz s PHE 14 Cb -0.10 -0.61 1.53 0.00 0.51 0.00 0.00 43.02 44.34 2nnz s PHE 14 CO 0.28 -0.01 1.62 0.93 0.70 0.00 0.00 175.22 178.74 2nnz h GLU 15 N 5.68 0.00 0.00 0.44 3.07 -1.94 0.33 114.58 122.16 2nnz h GLU 15 Ca -0.33 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2nnz h GLU 15 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 2nnz h GLU 15 CO 0.48 0.00 -0.30 0.43 -1.40 0.00 0.00 179.01 178.22 2nnz n SER 16 N -3.88 1.60 -3.60 1.42 7.64 -1.26 -5.07 113.62 110.47 2nnz n SER 16 Ca 0.33 -2.93 -0.07 0.00 1.01 0.00 0.00 58.87 57.21 2nnz n SER 16 Cb 1.61 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 64.37 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 -2.08 -2.01 0.01 -0.43 0.00 0.12 -4.96 121.76 112.39 2nnz s ALA 17 Ca 0.27 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.94 2nnz s ALA 17 Cb 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2nnz s ALA 17 CO -0.01 -0.32 -0.07 -1.83 0.00 0.00 0.00 175.76 173.53 2nnz s GLU 18 N -1.26 0.52 -0.12 0.00 -1.05 -1.26 0.18 118.70 115.70 2nnz s GLU 18 Ca 0.04 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 2nnz s GLU 18 Cb -0.01 -0.46 0.10 0.00 -0.44 0.00 0.00 34.13 33.32 2nnz s GLU 18 CO -0.03 0.12 0.85 0.00 0.95 0.00 0.00 175.26 177.16 2nnz s GLU 20 N -1.04 2.05 -0.15 0.00 2.02 -1.21 -3.03 118.70 117.34 2nnz s GLU 20 Ca -0.05 -1.45 -0.12 0.00 0.02 0.00 0.00 54.97 53.37 2nnz s GLU 20 Cb -0.01 -2.06 0.04 0.00 0.10 0.00 0.00 34.13 32.20 2nnz s GLU 20 CO 0.05 0.38 0.39 0.54 0.02 0.00 0.00 175.26 176.64 2nnz s VAL 21 N -2.12 -0.01 0.65 2.63 0.11 -1.12 -3.76 120.40 116.78 2nnz s VAL 21 Ca 0.28 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2nnz s VAL 21 Cb -0.07 -0.56 0.13 0.00 -1.53 0.00 0.00 36.38 34.35 2nnz s VAL 21 CO 0.17 0.01 0.89 -0.62 -3.33 0.00 0.00 175.10 172.22 2nnz n GLU 22 N 3.21 -0.03 -3.67 1.54 1.02 -0.76 -1.16 120.64 120.79 2nnz n GLU 22 Ca -0.16 -2.43 -0.15 0.00 -0.02 0.00 0.00 57.16 54.41 2nnz n GLU 22 Cb 0.57 -0.59 -0.08 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.33 0.06 -4.62 2.96 -0.19 -3.68 118.68 113.54 2nnz s LEU 23 Ca 0.59 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2nnz s LEU 23 Cb -0.03 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.35 2nnz s LEU 23 CO 0.39 -0.52 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.44 2nnz s TYR 24 N -1.39 1.34 -1.04 5.38 2.02 -1.26 -3.36 117.35 119.05 2nnz s TYR 24 Ca -0.12 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2nnz s TYR 24 Cb -0.03 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 2nnz s TYR 24 CO 0.06 0.07 0.89 0.39 -1.57 0.00 0.00 175.55 175.38 2nnz n GLU 25 N 1.54 0.00 -0.39 -0.62 1.02 -1.26 -3.17 120.64 117.75 2nnz n GLU 25 Ca -0.19 0.39 0.39 0.00 -0.02 0.00 0.00 57.16 57.73 2nnz n GLU 25 Cb 0.54 -1.54 0.74 0.00 -0.02 0.00 0.00 31.44 31.17 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 -1.95 0.60 114.58 120.83 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 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2nnz h GLU 26 CO 0.00 0.00 -0.07 2.35 0.07 0.00 0.00 179.01 181.36 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 -0.00 -1.83 -3.44 115.95 112.74 2nnz h TRP 27 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.53 2nnz h TRP 27 Cb 2.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.85 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 -2.79 0.00 -0.36 2.65 0.00 0.20 -4.74 120.51 115.47 2nnz n ALA 28 Ca -0.05 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.67 2nnz n ALA 28 Cb 0.20 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.22 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 0.26 -0.19 0.00 0.13 -1.93 0.08 132.00 130.35 2nnz h PRO 29 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2nnz h PRO 29 Cb 0.00 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 2nnz h PRO 29 CO 0.00 0.17 0.09 1.49 -0.23 0.00 0.00 178.00 179.52 2nnz h GLU 30 N 0.27 0.28 -0.46 0.86 4.22 -1.95 -2.86 114.58 114.94 2nnz h GLU 30 Ca 0.66 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 60.04 2nnz h GLU 30 Cb 1.89 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.07 2nnz h GLU 30 CO -0.32 0.32 0.20 1.79 -2.18 0.00 0.00 179.01 178.82 2nnz h THR 31 N 0.18 1.20 -1.00 0.32 1.35 -1.38 -2.39 112.91 111.19 2nnz h THR 31 Ca 0.07 -0.60 0.25 0.00 -0.55 0.00 0.00 66.41 65.58 2nnz h THR 31 Cb 0.13 0.73 -0.07 0.00 -1.73 0.00 0.00 68.15 67.21 2nnz h THR 31 CO -0.01 0.23 0.66 0.58 -0.25 0.00 0.00 175.52 176.73 2nnz h VAL 32 N 0.61 0.56 -0.72 6.82 2.07 -1.29 0.23 116.25 124.53 2nnz h VAL 32 Ca 0.16 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2nnz h VAL 32 Cb 0.17 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2nnz h VAL 32 CO -0.02 0.06 0.48 -0.09 0.02 0.00 0.00 177.57 178.02 2nnz h ARG 33 N 0.32 0.91 -0.20 1.57 2.43 -1.20 -2.03 114.38 116.17 2nnz h ARG 33 Ca 0.54 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 2nnz h ARG 33 Cb 1.50 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2nnz h ARG 33 CO -0.20 0.60 0.01 0.00 -1.51 0.00 0.00 179.97 178.87 2nnz h ALA 34 N 1.56 0.27 -0.07 2.80 0.00 -0.61 0.47 119.26 123.69 2nnz h ALA 34 Ca 0.28 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2nnz h ALA 34 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2nnz h ALA 34 CO -0.07 -0.02 -0.12 0.82 0.00 0.00 0.00 179.25 179.86 2nnz h ILE 35 N 0.12 0.68 0.00 0.00 1.08 -1.36 -0.02 117.51 118.01 2nnz h ILE 35 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2nnz h ILE 35 Cb 0.38 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2nnz h ILE 35 CO 0.01 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.36 2nnz h ALA 36 N 0.86 1.69 0.00 1.87 0.00 -1.32 -0.63 119.26 121.73 2nnz h ALA 36 Ca 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2nnz h ALA 36 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2nnz h ALA 36 CO -0.17 0.13 -0.31 0.22 0.00 0.00 0.00 179.25 179.12 2nnz h ASP 37 N 0.00 0.00 -1.92 0.00 1.82 0.84 -3.23 116.42 113.93 2nnz h ASP 37 Ca -0.00 0.00 -0.75 0.00 -0.39 0.00 0.00 57.03 55.89 2nnz h ASP 37 Cb 0.21 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 39.96 2nnz h ASP 37 CO 0.01 0.31 1.02 0.00 -1.61 0.00 0.00 179.24 178.98 2nnz n ALA 38 N -2.27 6.46 -1.00 -0.78 0.00 -0.21 -5.00 120.51 117.70 2nnz n ALA 38 Ca -0.00 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.36 2nnz n ALA 38 Cb 0.47 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.26 0.00 -1.71 0.00 4.77 -1.22 -4.53 117.00 114.05 2nnz n LEU 39 Ca 0.53 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 2nnz n LEU 39 Cb 0.27 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2nnz n LEU 39 CO 0.50 -0.46 0.79 -2.65 -1.33 0.00 0.00 177.39 174.23 2nnz n PRO 40 N 0.00 0.00 -3.86 3.23 -0.02 -0.37 -4.54 135.00 129.44 2nnz n PRO 40 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2nnz n PRO 40 Cb 0.00 -0.59 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 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 3.01 0.09 0.07 4.25 1.01 -0.56 -4.96 121.20 124.11 2nnz s ILE 41 Ca 0.50 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 2nnz s ILE 41 Cb -0.53 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 2nnz s ILE 41 CO 0.22 -0.40 0.72 -0.54 0.00 0.00 0.00 174.94 174.94 2nnz s LYS 42 N -1.65 4.45 -0.01 2.79 1.02 -1.26 -2.10 119.74 122.99 2nnz s LYS 42 Ca -0.13 1.00 -0.09 0.00 0.02 0.00 0.00 55.97 56.77 2nnz s LYS 42 Cb -0.06 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2nnz s LYS 42 CO 0.01 0.41 0.19 -1.54 -0.92 0.00 0.00 175.35 173.49 2nnz s SER 43 N -0.47 -0.05 -0.19 2.83 1.04 0.37 -4.89 113.70 112.34 2nnz s SER 43 Ca 0.36 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 2nnz s SER 43 Cb -0.21 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.22 -0.36 0.09 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.21 5.08 -0.01 2.02 2.01 -1.26 0.38 115.64 122.64 2nnz s THR 44 Ca -0.13 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 2nnz s THR 44 Cb -0.06 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2nnz s THR 44 CO 0.02 0.46 0.53 0.00 -0.69 0.00 0.00 174.62 174.94 2nnz s ALA 45 N 0.29 3.54 -0.20 7.40 0.00 -0.67 -4.28 121.76 127.85 2nnz s ALA 45 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 2nnz s ALA 45 Cb -0.12 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2nnz s ALA 45 CO -0.01 0.24 0.00 -0.80 0.00 0.00 0.00 175.76 175.19 2nnz s ASN 46 N -0.36 4.90 0.16 0.00 0.01 -1.16 -3.52 114.94 114.96 2nnz s ASN 46 Ca 0.28 -0.18 -0.27 0.00 -0.71 0.00 0.00 52.86 51.98 2nnz s ASN 46 Cb -0.17 -1.84 -0.08 0.00 0.41 0.00 0.00 41.25 39.57 2nnz s ASN 46 CO 0.15 0.08 0.85 -0.13 -1.51 0.00 0.00 177.10 176.54 2nnz s ARG 47 N 0.94 4.66 -0.05 -0.60 1.81 -1.26 -3.51 118.95 120.94 2nnz s ARG 47 Ca 0.01 1.28 -0.22 0.00 -1.72 0.00 0.00 55.73 55.09 2nnz s ARG 47 Cb -0.14 -3.30 0.04 0.00 -0.45 0.00 0.00 34.95 31.10 2nnz s ARG 47 CO 0.02 0.46 0.48 -0.46 -0.68 0.00 0.00 175.30 175.12 2nnz s TRP 48 N -0.83 -0.41 -0.66 -0.53 -0.11 -0.52 -4.99 118.94 110.90 2nnz s TRP 48 Ca 0.39 0.72 -0.20 0.00 1.22 0.00 0.00 56.10 58.23 2nnz s TRP 48 Cb -0.24 0.23 -0.15 0.00 -1.50 0.00 0.00 33.47 31.82 2nnz s TRP 48 CO 0.28 -0.46 1.77 0.41 -4.62 0.00 0.00 176.95 174.32 2nnz n GLY 49 N 1.29 -0.32 2.50 5.86 0.00 -1.26 0.13 105.19 113.38 2nnz n GLY 49 Ca -0.20 0.75 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 2nnz n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nnz n ASP 50 N 6.85 -2.40 -3.88 1.61 9.92 -1.26 -4.10 116.55 123.28 2nnz n ASP 50 Ca 0.43 0.33 -0.11 0.00 -0.53 0.00 0.00 54.79 54.91 2nnz n ASP 50 Cb 0.02 -2.12 -0.12 0.00 -0.64 0.00 0.00 41.12 38.26 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2nnz s GLU 51 N -5.04 0.18 -0.04 -1.24 -6.30 0.34 -4.09 118.70 102.51 2nnz s GLU 51 Ca 0.01 -0.12 -0.01 0.00 -2.50 0.00 0.00 54.97 52.35 2nnz s GLU 51 Cb -0.01 0.07 0.03 0.00 0.00 0.00 0.00 34.13 34.23 2nnz s GLU 51 CO 0.01 -0.03 0.04 -1.50 0.02 0.00 0.00 175.26 173.81 2nnz s ILE 52 N -0.46 -0.04 -0.05 -3.70 1.10 -1.26 -1.43 121.20 115.37 2nnz s ILE 52 Ca -0.05 0.32 0.02 0.00 -0.51 0.00 0.00 60.65 60.43 2nnz s ILE 52 Cb -0.03 -0.17 0.01 0.00 0.15 0.00 0.00 42.46 42.42 2nnz s ILE 52 CO 0.00 0.16 -0.10 -0.72 -2.11 0.00 0.00 174.94 172.17 2nnz s TYR 53 N 1.76 1.18 0.01 3.50 -0.85 -1.23 -2.56 117.35 119.16 2nnz s TYR 53 Ca -0.00 -0.37 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 2nnz s TYR 53 Cb -0.12 -0.87 -0.01 0.00 0.38 0.00 0.00 41.96 41.33 2nnz s TYR 53 CO -0.03 -0.19 0.01 -0.59 -1.52 0.00 0.00 175.55 173.23 2nnz s PHE 54 N 0.49 0.12 0.22 -3.49 -0.12 -1.22 -3.00 117.98 110.99 2nnz s PHE 54 Ca -0.09 -0.25 -0.10 0.00 -0.05 0.00 0.00 56.93 56.44 2nnz s PHE 54 Cb -0.13 -0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.09 2nnz s PHE 54 CO 0.02 -0.13 0.55 0.99 -0.05 0.00 0.00 175.22 176.60 2nnz s THR 55 N -0.88 4.92 0.00 -4.49 2.01 -1.26 -3.72 115.64 112.22 2nnz s THR 55 Ca -0.10 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2nnz s THR 55 Cb -0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2nnz s THR 55 CO -0.00 -0.04 0.72 0.35 -0.69 0.00 0.00 174.62 174.95 2nnz n THR 56 N -0.04 0.50 -0.28 -0.82 -2.24 -1.26 -4.35 114.28 105.79 2nnz n THR 56 Ca -0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2nnz n THR 56 Cb 0.52 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.25 0.00 -2.95 -0.78 6.02 -1.26 -4.99 117.38 113.17 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.19 -1.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.69 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 -3.23 4.74 -0.61 5.09 0.11 -1.26 -5.00 120.40 120.23 2nnz s VAL 58 Ca 0.00 0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 59.90 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 0.50 0.00 -3.33 0.00 0.00 175.10 171.87 2nnz s ALA 59 N 3.08 3.65 -0.26 1.54 0.00 -1.26 -4.86 121.76 123.65 2nnz s ALA 59 Ca 0.32 -2.94 0.01 0.00 0.00 0.00 0.00 51.96 49.34 2nnz s ALA 59 Cb -0.13 -3.01 0.07 0.00 0.00 0.00 0.00 23.12 20.05 2nnz s ALA 59 CO 0.16 -2.07 -0.00 0.54 0.00 0.00 0.00 175.76 174.39 2nnz s VAL 60 N 0.69 1.40 -0.05 0.00 0.11 -1.26 -5.11 120.40 116.18 2nnz s VAL 60 Ca 0.12 -1.34 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 2nnz s VAL 60 Cb -0.21 -1.81 -0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2nnz s VAL 60 CO -0.03 -0.29 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.65 2nnz s GLU 61 N 1.42 1.89 0.16 1.54 2.02 -1.26 -4.87 118.70 119.60 2nnz s GLU 61 Ca -0.00 -0.64 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 2nnz s GLU 61 Cb -0.18 -1.63 -0.02 0.00 0.10 0.00 0.00 34.13 32.39 2nnz s GLU 61 CO -0.10 0.25 0.20 0.21 0.02 0.00 0.00 175.26 175.83 2nnz s LYS 62 N 0.04 1.08 -0.74 1.61 2.20 -1.26 -5.11 119.74 117.57 2nnz s LYS 62 Ca -0.05 -1.29 -0.10 0.00 -0.36 0.00 0.00 55.97 54.17 2nnz s LYS 62 Cb -0.12 0.33 0.19 0.00 -1.51 0.00 0.00 37.83 36.72 2nnz s LYS 62 CO 0.03 -0.37 0.63 -1.21 -0.36 0.00 0.00 175.35 174.07 2nnz s GLU 63 N -4.01 3.18 -0.08 4.03 2.02 -1.26 -5.00 118.70 117.60 2nnz s GLU 63 Ca 0.21 -2.45 -0.31 0.00 0.02 0.00 0.00 54.97 52.43 2nnz s GLU 63 Cb 0.05 -4.16 0.12 0.00 0.10 0.00 0.00 34.13 30.23 2nnz s GLU 63 CO 0.01 -1.25 1.02 -2.00 0.02 0.00 0.00 175.26 173.06 2nnz s GLU 64 N 0.15 0.62 0.66 1.61 2.12 -1.26 -5.05 118.70 117.55 2nnz s GLU 64 Ca 0.17 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2nnz s GLU 64 Cb -0.15 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2nnz s GLU 64 CO -0.06 -0.27 0.00 -1.71 -0.54 0.00 0.00 175.26 172.67 2nnz n ASN 65 N -0.19 0.00 -2.27 -1.70 2.85 -1.26 -4.85 115.26 107.84 2nnz n ASN 65 Ca -0.05 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.24 2nnz n ASN 65 Cb 0.60 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 2.40 -2.94 -4.94 1.20 7.64 -1.26 -4.94 113.62 110.77 2nnz n SER 66 Ca 0.00 -0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.59 2nnz n SER 66 Cb 0.00 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 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 -1.18 3.40 0.00 1.43 0.00 0.22 -4.48 119.74 119.13 2nnz s LYS 67 Ca 0.18 -0.68 0.02 0.00 0.00 0.00 0.00 55.97 55.49 2nnz s LYS 67 Cb -0.02 -2.91 -0.02 0.00 0.00 0.00 0.00 37.83 34.88 2nnz s LYS 67 CO 0.40 0.49 0.21 -0.40 0.00 0.00 0.00 175.35 176.04 2nnz n ASP 68 N -0.83 0.36 -4.17 0.03 5.75 -1.26 0.63 116.55 117.05 2nnz n ASP 68 Ca -0.08 -0.68 -0.23 0.00 -0.01 0.00 0.00 54.79 53.79 2nnz n ASP 68 Cb 0.55 0.78 -0.14 0.00 -1.03 0.00 0.00 41.12 41.28 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 -1.01 1.34 0.08 2.12 0.11 -1.26 -4.43 120.40 117.36 2nnz s VAL 69 Ca 0.01 -0.92 -0.23 0.00 -2.93 0.00 0.00 61.98 57.91 2nnz s VAL 69 Cb 0.02 -1.16 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 2nnz s VAL 69 CO 0.08 0.22 0.56 0.68 -3.33 0.00 0.00 175.10 173.31 2nnz s VAL 70 N -0.63 0.02 0.26 2.04 -7.23 -1.26 -5.10 120.40 108.50 2nnz s VAL 70 Ca 0.05 -0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 2nnz s VAL 70 Cb -0.07 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 2nnz s VAL 70 CO 0.01 -0.09 0.58 -1.61 -0.31 0.00 0.00 175.10 173.67 2nnz s GLU 71 N -2.81 3.79 -0.05 4.82 2.02 -1.26 -4.95 118.70 120.26 2nnz s GLU 71 Ca -0.03 0.28 -0.38 0.00 0.02 0.00 0.00 54.97 54.85 2nnz s GLU 71 Cb -0.00 -2.61 -0.16 0.00 0.10 0.00 0.00 34.13 31.45 2nnz s GLU 71 CO -0.05 0.26 1.49 -0.11 0.02 0.00 0.00 175.26 176.88 2nnz n LEU 72 N -0.36 1.92 0.00 1.80 7.94 -1.26 -2.42 117.00 124.63 2nnz n LEU 72 Ca 0.01 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2nnz n LEU 72 Cb 0.53 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.30 2nnz n LEU 72 CO 0.45 -0.82 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 2nnz n GLY 73 N 3.13 1.56 3.74 -3.96 0.00 -1.26 -5.10 105.19 103.31 2nnz n GLY 73 Ca 0.21 -0.21 -0.30 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 -0.32 3.91 0.15 1.61 -4.77 -1.02 -3.33 116.67 112.90 2nnz s ASP 74 Ca 0.00 1.60 0.10 0.00 -3.30 0.00 0.00 52.55 50.95 2nnz s ASP 74 Cb 0.00 -2.29 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 2nnz s ASP 74 CO 0.00 -2.38 -0.24 -0.69 0.70 0.00 0.00 175.17 172.56 2nnz s VAL 75 N -2.93 2.15 0.01 2.11 1.01 -0.11 -4.25 120.40 118.39 2nnz s VAL 75 Ca 0.62 -1.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 2nnz s VAL 75 Cb -0.17 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2nnz s VAL 75 CO 0.56 -0.05 0.30 0.00 0.00 0.00 0.00 175.10 175.92 2nnz s ALA 76 N -1.39 -0.72 -0.13 5.51 0.00 -1.23 -1.82 121.76 121.97 2nnz s ALA 76 Ca 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2nnz s ALA 76 Cb -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2nnz s ALA 76 CO 0.07 -0.33 -0.08 -0.47 0.00 0.00 0.00 175.76 174.95 2nnz s TYR 77 N -1.92 2.94 0.43 0.00 5.04 0.13 -2.43 117.35 121.54 2nnz s TYR 77 Ca -0.09 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 53.93 2nnz s TYR 77 Cb -0.03 -1.88 -0.08 0.00 0.35 0.00 0.00 41.96 40.31 2nnz s TYR 77 CO 0.01 -0.05 1.09 -0.46 -1.34 0.00 0.00 175.55 174.80 2nnz s TRP 78 N 0.20 3.08 -0.23 4.97 -0.00 0.48 -1.90 118.94 125.55 2nnz s TRP 78 Ca -0.04 1.59 -0.16 0.00 -0.00 0.00 0.00 56.10 57.49 2nnz s TRP 78 Cb -0.14 -3.22 -0.12 0.00 -0.00 0.00 0.00 33.47 29.99 2nnz s TRP 78 CO 0.04 -0.99 -0.19 -0.89 -0.00 0.00 0.00 176.95 174.91 2nnz n ILE 79 N -0.34 1.51 -1.42 5.86 2.08 -1.26 -3.60 119.36 122.19 2nnz n ILE 79 Ca 0.06 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.83 2nnz n ILE 79 Cb 0.49 -2.07 -0.04 0.00 -0.75 0.00 0.00 39.64 37.27 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 -4.38 1.99 0.00 0.38 -0.02 -1.26 -2.39 135.00 129.32 2nnz n PRO 80 Ca -0.36 -2.16 0.00 0.00 -2.02 0.00 0.00 63.50 58.96 2nnz n PRO 80 Cb 0.69 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 4.47 0.19 3.05 -1.23 0.00 -1.26 -4.88 105.19 105.53 2nnz n GLY 81 Ca 0.50 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.51 -4.39 1.61 4.01 -1.00 -4.95 118.16 109.92 2nnz n LYS 82 Ca 0.00 0.64 -0.34 0.00 -0.51 0.00 0.00 58.31 58.10 2nnz n LYS 82 Cb 0.00 -5.36 -0.12 0.00 -0.51 0.00 0.00 35.03 29.04 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 -2.94 3.03 0.35 7.82 0.00 -1.24 -4.64 121.76 124.15 2nnz s ALA 83 Ca 0.28 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 2nnz s ALA 83 Cb -0.14 -1.55 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 2nnz s ALA 83 CO 0.34 0.25 0.75 0.42 0.00 0.00 0.00 175.76 177.52 2nnz s ILE 84 N 0.25 4.71 -0.01 0.00 1.01 -1.24 -0.39 121.20 125.53 2nnz s ILE 84 Ca -0.02 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2nnz s ILE 84 Cb -0.14 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2nnz s ILE 84 CO 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 174.94 174.69 2nnz s LEU 86 N 0.52 3.45 -0.08 0.00 0.20 -1.06 -3.58 118.68 118.13 2nnz s LEU 86 Ca -0.04 0.89 -0.02 0.00 0.69 0.00 0.00 54.13 55.65 2nnz s LEU 86 Cb -0.06 -3.81 0.03 0.00 -0.43 0.00 0.00 46.19 41.92 2nnz s LEU 86 CO -0.01 -0.78 0.02 -0.36 -0.29 0.00 0.00 176.35 174.92 2nnz s PHE 87 N -2.87 0.60 -0.01 5.38 0.08 -1.26 -4.32 117.98 115.57 2nnz s PHE 87 Ca 0.50 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.41 2nnz s PHE 87 Cb -0.10 -0.77 0.07 0.00 -0.57 0.00 0.00 43.02 41.64 2nnz s PHE 87 CO 0.46 -0.34 1.04 1.19 -0.10 0.00 0.00 175.22 177.46 2nnz n PHE 88 N 5.17 -0.06 -1.09 0.36 3.72 -1.26 -4.24 117.46 120.06 2nnz n PHE 88 Ca -0.07 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 2nnz n PHE 88 Cb 0.50 0.45 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.01 -0.50 1.01 1.37 0.00 -1.26 -4.95 105.19 100.87 2nnz n GLY 89 Ca -0.23 -0.86 -0.07 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 -1.48 -2.09 1.61 -0.00 -1.26 -4.92 118.16 110.01 2nnz n LYS 90 Ca 0.00 -0.34 -0.04 0.00 -0.00 0.00 0.00 58.31 57.94 2nnz n LYS 90 Cb 0.00 -0.54 0.01 0.00 -0.00 0.00 0.00 35.03 34.50 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 -3.46 0.00 -0.01 0.58 -2.24 -1.26 -4.54 114.28 103.35 2nnz n THR 91 Ca 0.03 -0.42 0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2nnz n THR 91 Cb 0.14 0.37 0.38 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.04 -0.78 0.11 -1.86 -3.10 132.00 124.32 2nnz h PRO 92 Ca -0.12 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.57 2nnz h PRO 92 Cb 0.44 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.23 2nnz h PRO 92 CO 0.15 0.00 -0.75 0.96 -0.21 0.00 0.00 178.00 178.15 2nnz s ILE 93 N -4.33 -0.20 -0.23 4.15 -0.00 -1.25 -4.99 121.20 114.36 2nnz s ILE 93 Ca -0.02 -1.39 0.01 0.00 -0.00 0.00 0.00 60.65 59.25 2nnz s ILE 93 Cb 0.10 -0.78 0.08 0.00 -0.00 0.00 0.00 42.46 41.86 2nnz s ILE 93 CO 0.35 -0.71 1.00 -1.54 -0.00 0.00 0.00 174.94 174.03 2nnz n SER 94 N 3.86 2.76 -4.45 4.36 3.41 -1.18 -3.18 113.62 119.20 2nnz n SER 94 Ca 0.15 -2.16 -0.19 0.00 -0.26 0.00 0.00 58.87 56.42 2nnz n SER 94 Cb 0.45 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.27 1.40 0.00 4.04 8.00 -1.26 -3.45 116.55 125.55 2nnz n ASP 95 Ca 0.06 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.05 2nnz n ASP 95 Cb 0.57 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnz n ASP 96 N 18.45 0.00 -2.19 -2.24 9.92 -1.26 -4.87 116.55 134.36 2nnz n ASP 96 Ca 0.42 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.59 2nnz n ASP 96 Cb 0.46 -0.62 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 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 -1.97 0.36 -3.80 -1.24 4.76 -1.22 -5.13 118.16 109.93 2nnz n LYS 97 Ca 0.00 -1.70 -0.35 0.00 -2.87 0.00 0.00 58.31 53.39 2nnz n LYS 97 Cb 0.00 1.57 -0.12 0.00 -1.84 0.00 0.00 35.03 34.64 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 -2.68 3.23 -0.54 -0.18 1.01 -1.26 -3.94 121.20 116.82 2nnz s ILE 98 Ca 0.18 -2.37 -0.14 0.00 0.00 0.00 0.00 60.65 58.33 2nnz s ILE 98 Cb -0.00 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.40 2nnz s ILE 98 CO 0.13 -0.73 0.48 -0.13 0.00 0.00 0.00 174.94 174.69 2nnz s ARG 99 N 0.76 2.91 0.29 2.79 3.00 -1.19 -4.69 118.95 122.81 2nnz s ARG 99 Ca 0.11 -1.78 0.09 0.00 0.00 0.00 0.00 55.73 54.14 2nnz s ARG 99 Cb -0.22 -4.22 0.43 0.00 0.00 0.00 0.00 34.95 30.94 2nnz s ARG 99 CO -0.04 -1.29 1.67 -1.00 0.00 0.00 0.00 175.30 174.63 2nnz h PRO 100 N 8.69 0.11 0.00 3.54 0.13 -1.91 -3.34 132.00 139.22 2nnz h PRO 100 Ca -0.25 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2nnz h PRO 100 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnz h PRO 100 CO 0.98 0.60 0.00 0.00 -0.23 0.00 0.00 178.00 179.35 2nnz n ALA 101 N -2.46 0.00 0.53 -0.56 0.00 -1.26 -4.77 120.51 111.99 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 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 0.64 -2.73 0.00 7.64 -1.26 -4.71 113.62 113.25 2nnz n SER 102 Ca 0.00 -0.74 -0.06 0.00 1.01 0.00 0.00 58.87 59.08 2nnz n SER 102 Cb 0.00 1.03 0.05 0.00 -1.01 0.00 0.00 64.21 64.28 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 -1.31 -2.12 -2.34 -0.43 0.00 -1.26 -4.57 120.51 108.49 2nnz n ALA 103 Ca 0.02 -1.01 -0.31 0.00 0.00 0.00 0.00 53.44 52.14 2nnz n ALA 103 Cb 0.19 -1.91 -0.16 0.00 0.00 0.00 0.00 19.45 17.57 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 0.61 2.20 0.30 0.00 -7.23 0.21 -4.15 120.40 112.34 2nnz s VAL 104 Ca 0.30 -1.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 2nnz s VAL 104 Cb 0.18 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 2nnz s VAL 104 CO -0.17 0.57 0.76 0.20 -0.31 0.00 0.00 175.10 176.15 2nnz s ASN 105 N -0.65 6.90 -0.76 4.85 0.01 -0.80 0.73 114.94 125.22 2nnz s ASN 105 Ca 0.10 1.39 -0.24 0.00 -0.71 0.00 0.00 52.86 53.40 2nnz s ASN 105 Cb -0.10 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.21 2nnz s ASN 105 CO -0.01 -0.15 1.16 0.68 -1.51 0.00 0.00 177.10 177.28 2nnz s VAL 106 N -1.85 4.08 -0.74 1.60 -7.23 -1.26 0.20 120.40 115.20 2nnz s VAL 106 Ca 0.52 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2nnz s VAL 106 Cb -0.12 -4.83 0.12 0.00 0.56 0.00 0.00 36.38 32.11 2nnz s VAL 106 CO 0.18 -1.67 0.77 0.00 -0.31 0.00 0.00 175.10 174.07 2nnz n ILE 107 N 6.17 0.58 0.00 -0.62 3.06 -0.75 -4.73 119.36 123.07 2nnz n ILE 107 Ca 0.06 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.09 2nnz n ILE 107 Cb 0.48 -0.55 0.00 0.00 0.54 0.00 0.00 39.64 40.11 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 0.12 0.23 3.55 4.50 0.00 -1.23 -3.90 105.19 108.46 2nnz n GLY 108 Ca 0.05 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 1.46 -0.35 1.61 0.52 -1.24 -0.93 118.95 120.01 2nnz s ARG 109 Ca 0.00 -1.10 -0.13 0.00 -0.52 0.00 0.00 55.73 53.98 2nnz s ARG 109 Cb 0.00 0.48 -0.01 0.00 0.52 0.00 0.00 34.95 35.94 2nnz s ARG 109 CO 0.00 -0.61 0.24 0.42 0.02 0.00 0.00 175.30 175.38 2nnz s ILE 110 N -3.96 5.21 0.00 1.52 1.09 -1.21 -1.83 121.20 122.02 2nnz s ILE 110 Ca 0.17 -0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 2nnz s ILE 110 Cb -0.01 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2nnz s ILE 110 CO 0.04 -0.06 0.00 1.33 -0.10 0.00 0.00 174.94 176.15 2nnz n VAL 111 N 5.10 0.00 -2.60 2.92 0.24 -1.25 -4.91 118.33 117.83 2nnz n VAL 111 Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 2nnz n VAL 111 Cb 0.49 -0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.00 6.62 0.00 -1.34 4.22 -1.26 -4.51 114.94 117.67 2nnz s ASN 112 Ca 0.00 0.44 0.00 0.00 -2.14 0.00 0.00 52.86 51.16 2nnz s ASN 112 Cb 0.00 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.98 2nnz s ASN 112 CO 0.00 -1.27 0.00 -1.54 -2.04 0.00 0.00 177.10 172.25 2nnz n SER 113 N 7.89 0.00 -3.72 3.54 3.41 -1.26 -3.33 113.62 120.15 2nnz n SER 113 Ca 0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.51 2nnz n SER 113 Cb 0.49 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2nnz n SER 113 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2nnz n MET 114 N -0.51 -4.57 -0.73 4.33 2.81 -1.26 -4.90 117.12 112.28 2nnz n MET 114 Ca 0.00 0.60 0.02 0.00 -1.81 0.00 0.00 57.70 56.51 2nnz n MET 114 Cb 0.00 -5.09 0.19 0.00 -0.71 0.00 0.00 33.22 27.62 2nnz n MET 114 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2nnz n GLU 115 N -4.26 1.77 -2.30 0.03 4.71 -1.26 -4.99 120.64 114.34 2nnz n GLU 115 Ca -0.29 -3.36 -0.02 0.00 -0.01 0.00 0.00 57.16 53.47 2nnz n GLU 115 Cb 0.68 -1.69 -0.01 0.00 -1.01 0.00 0.00 31.44 29.41 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nnz n GLY 116 N -1.09 -0.01 0.45 0.62 0.00 -1.26 -4.65 105.19 99.25 2nnz n GLY 116 Ca 0.23 0.01 0.36 0.00 0.00 0.00 0.00 46.02 46.61 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 0.52 0.26 -1.50 0.99 6.46 -1.94 0.18 115.31 120.29 2nnz h LEU 117 Ca -0.04 0.14 0.36 0.00 -0.12 0.00 0.00 57.88 58.22 2nnz h LEU 117 Cb 0.09 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 2nnz h LEU 117 CO 0.05 -0.18 1.15 0.07 -0.62 0.00 0.00 178.44 178.91 2nnz h LYS 118 N 0.10 0.00 -1.41 1.25 5.09 -1.91 0.39 116.57 120.09 2nnz h LYS 118 Ca 0.81 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 61.21 2nnz h LYS 118 Cb 2.48 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 34.66 2nnz h LYS 118 CO -0.44 0.00 0.43 0.41 -2.09 0.00 0.00 179.45 177.77 2nnz n GLY 119 N -1.75 4.08 3.80 0.07 0.00 0.63 -4.46 105.19 107.56 2nnz n GLY 119 Ca 0.27 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2nnz n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nnz s VAL 120 N -2.35 3.83 0.41 1.61 -7.23 0.14 -5.02 120.40 111.78 2nnz s VAL 120 Ca 0.33 0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 61.12 2nnz s VAL 120 Cb 0.26 -3.39 -0.09 0.00 0.56 0.00 0.00 36.38 33.72 2nnz s VAL 120 CO 0.01 -0.51 1.08 0.00 -0.31 0.00 0.00 175.10 175.36 2nnz s ALA 121 N -2.46 3.06 -0.09 1.32 0.00 -1.26 -4.93 121.76 117.40 2nnz s ALA 121 Ca 0.63 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 2nnz s ALA 121 Cb -0.16 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 2nnz s ALA 121 CO 0.37 -0.31 2.09 -0.40 0.00 0.00 0.00 175.76 177.51 2nnz n ASP 122 N -0.17 3.70 -1.96 0.00 5.75 -1.26 -4.20 116.55 118.41 2nnz n ASP 122 Ca 0.05 0.58 -0.02 0.00 -0.01 0.00 0.00 54.79 55.39 2nnz n ASP 122 Cb 0.49 -1.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.03 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 5.14 -4.00 3.36 6.12 0.00 -1.26 -4.98 105.19 109.57 2nnz n GLY 123 Ca 0.25 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.67 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 1.07 1.61 -1.05 -1.23 -5.02 118.70 114.06 2nnz s GLU 124 Ca -0.12 -0.04 -0.16 0.00 -0.15 0.00 0.00 54.97 54.49 2nnz s GLU 124 Cb 0.01 0.40 0.10 0.00 -0.44 0.00 0.00 34.13 34.19 2nnz s GLU 124 CO 0.33 -0.26 0.21 0.45 0.95 0.00 0.00 175.26 176.94 2nnz n SER 125 N 1.01 -2.20 -3.65 0.83 2.88 -1.26 -1.67 113.62 109.55 2nnz n SER 125 Ca -0.20 0.02 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 2nnz n SER 125 Cb 0.57 -1.06 -0.08 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.30 -0.09 -0.24 2.46 1.01 0.16 -4.29 120.40 117.11 2nnz s VAL 126 Ca 0.57 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 2nnz s VAL 126 Cb -0.16 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2nnz s VAL 126 CO 0.66 0.01 -0.01 0.68 0.00 0.00 0.00 175.10 176.44 2nnz s VAL 127 N 1.69 1.26 -0.04 2.92 -7.23 -1.25 0.14 120.40 117.90 2nnz s VAL 127 Ca -0.09 -1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.65 2nnz s VAL 127 Cb -0.06 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2nnz s VAL 127 CO -0.18 -0.21 0.92 -0.69 -0.31 0.00 0.00 175.10 174.63 2nnz s VAL 128 N 1.50 4.89 -0.19 1.32 1.01 -0.89 -3.83 120.40 124.22 2nnz s VAL 128 Ca -0.02 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 2nnz s VAL 128 Cb -0.18 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.01 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 1.19 0.45 -0.88 2.72 -1.05 -0.48 -1.23 118.70 119.41 2nnz s GLU 129 Ca 0.48 0.84 -0.25 0.00 -0.15 0.00 0.00 54.97 55.89 2nnz s GLU 129 Cb -0.20 0.02 0.01 0.00 -0.44 0.00 0.00 34.13 33.52 2nnz s GLU 129 CO 0.24 -0.15 1.64 0.50 0.95 0.00 0.00 175.26 178.44 2nnz s ARG 130 N 1.34 3.05 0.00 -4.83 3.00 -1.26 0.11 118.95 120.36 2nnz s ARG 130 Ca -0.09 -0.47 0.00 0.00 -1.00 0.00 0.00 55.73 54.17 2nnz s ARG 130 Cb -0.07 -4.95 0.00 0.00 0.00 0.00 0.00 34.95 29.93 2nnz s ARG 130 CO -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 175.30 172.51