#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 0.19 2.03 3.03 0.00 -1.26 -5.01 105.19 104.17 2nnz n GLY 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.15 0.00 0.00 1.61 -0.58 -1.26 -5.05 120.64 115.22 2nnz n GLU 3 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2nnz n GLU 3 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 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 -3.06 0.00 -1.12 3.49 3.00 -1.26 -1.83 116.66 115.88 2nnz n ARG 4 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 2nnz n ARG 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nnz n GLY 5 N 0.00 0.54 2.70 -0.13 0.00 -1.26 -5.00 105.19 102.04 2nnz n GLY 5 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2nnz n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2nnz n VAL 6 N -0.15 5.53 -2.48 1.61 0.31 -0.76 -4.18 118.33 118.21 2nnz n VAL 6 Ca -0.24 -5.69 -0.01 0.00 -0.01 0.00 0.00 64.34 58.39 2nnz n VAL 6 Cb 0.67 -1.49 0.04 0.00 -0.91 0.00 0.00 33.84 32.16 2nnz n VAL 6 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2nnz n GLU 7 N -0.15 0.49 -3.74 5.55 -0.00 -1.23 -4.91 120.64 116.65 2nnz n GLU 7 Ca 0.47 -0.47 -0.37 0.00 -0.00 0.00 0.00 57.16 56.79 2nnz n GLU 7 Cb 0.27 0.20 -0.12 0.00 -0.00 0.00 0.00 31.44 31.79 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 0.05 3.41 0.03 3.44 1.75 -1.20 -4.94 119.30 121.83 2nnz s MET 8 Ca 0.03 -0.65 0.05 0.00 -1.25 0.00 0.00 55.69 53.87 2nnz s MET 8 Cb 0.16 -3.39 -0.03 0.00 2.84 0.00 0.00 34.83 34.41 2nnz s MET 8 CO -0.05 -0.32 -0.10 -0.98 -0.65 0.00 0.00 175.02 172.92 2nnz s ARG 9 N 1.58 2.36 0.33 4.11 1.04 -1.26 -0.36 118.95 126.74 2nnz s ARG 9 Ca 0.05 -0.84 0.10 0.00 -1.04 0.00 0.00 55.73 53.99 2nnz s ARG 9 Cb -0.16 -2.38 -0.06 0.00 -2.04 0.00 0.00 34.95 30.31 2nnz s ARG 9 CO 0.04 0.57 -0.06 -0.48 -0.04 0.00 0.00 175.30 175.33 2nnz s LEU 10 N -1.54 2.85 -0.01 -1.89 2.34 -0.32 -4.34 118.68 115.76 2nnz s LEU 10 Ca 0.17 -1.05 0.02 0.00 0.06 0.00 0.00 54.13 53.33 2nnz s LEU 10 Cb -0.11 -1.21 -0.03 0.00 -0.56 0.00 0.00 46.19 44.28 2nnz s LEU 10 CO 0.08 -0.17 -0.03 -0.60 -1.06 0.00 0.00 176.35 174.56 2nnz s ARG 11 N -3.64 2.71 -0.29 1.48 3.00 0.27 -2.97 118.95 119.50 2nnz s ARG 11 Ca 0.33 -0.63 -0.03 0.00 -1.00 0.00 0.00 55.73 54.40 2nnz s ARG 11 Cb -0.00 -2.61 0.11 0.00 0.00 0.00 0.00 34.95 32.45 2nnz s ARG 11 CO 0.18 0.63 0.19 0.42 0.00 0.00 0.00 175.30 176.71 2nnz s ILE 12 N -1.01 -0.20 0.17 4.11 1.01 -1.15 -1.61 121.20 122.54 2nnz s ILE 12 Ca 0.17 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2nnz s ILE 12 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2nnz s ILE 12 CO 0.08 -0.61 0.31 0.00 0.00 0.00 0.00 174.94 174.71 2nnz s ARG 13 N 2.20 3.44 -0.01 2.79 1.70 -1.25 -2.92 118.95 124.90 2nnz s ARG 13 Ca 0.09 -0.64 0.01 0.00 -0.47 0.00 0.00 55.73 54.72 2nnz s ARG 13 Cb -0.15 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2nnz s ARG 13 CO -0.34 0.50 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.28 2nnz s PHE 14 N -1.81 0.38 0.57 5.89 0.40 0.44 -3.76 117.98 120.09 2nnz s PHE 14 Ca 0.34 -0.07 0.40 0.00 -0.60 0.00 0.00 56.93 57.00 2nnz s PHE 14 Cb -0.10 -0.29 1.51 0.00 0.51 0.00 0.00 43.02 44.65 2nnz s PHE 14 CO 0.29 -0.03 1.64 0.93 0.70 0.00 0.00 175.22 178.74 2nnz h GLU 15 N 6.28 0.00 0.00 0.44 3.07 -1.92 0.31 114.58 122.76 2nnz h GLU 15 Ca -0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2nnz h GLU 15 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.50 0.00 -0.26 0.45 -1.40 0.00 0.00 179.01 178.29 2nnz n SER 16 N -3.88 1.61 -3.61 1.42 2.88 -1.26 -5.07 113.62 105.70 2nnz n SER 16 Ca 0.31 -2.88 -0.05 0.00 -1.33 0.00 0.00 58.87 54.91 2nnz n SER 16 Cb 1.54 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 64.57 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 -2.06 -2.05 0.01 -1.46 0.00 0.11 -4.98 121.76 111.34 2nnz s ALA 17 Ca 0.25 1.74 0.03 0.00 0.00 0.00 0.00 51.96 53.99 2nnz s ALA 17 Cb 0.23 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2nnz s ALA 17 CO -0.01 -0.31 -0.09 -1.83 0.00 0.00 0.00 175.76 173.52 2nnz s GLU 18 N -1.24 0.67 -0.12 0.00 -1.05 -1.26 0.16 118.70 115.86 2nnz s GLU 18 Ca 0.05 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 2nnz s GLU 18 Cb -0.01 -0.61 0.09 0.00 -0.44 0.00 0.00 34.13 33.17 2nnz s GLU 18 CO -0.04 0.15 0.82 0.00 0.95 0.00 0.00 175.26 177.15 2nnz s GLU 20 N -1.01 1.64 -0.07 0.00 2.02 -1.25 -2.92 118.70 117.11 2nnz s GLU 20 Ca -0.06 -1.57 -0.12 0.00 0.02 0.00 0.00 54.97 53.24 2nnz s GLU 20 Cb -0.01 -1.86 0.03 0.00 0.10 0.00 0.00 34.13 32.39 2nnz s GLU 20 CO 0.05 0.38 0.30 0.54 0.02 0.00 0.00 175.26 176.56 2nnz s VAL 21 N -1.93 0.03 0.51 2.63 0.11 -1.16 -3.80 120.40 116.79 2nnz s VAL 21 Ca 0.24 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 2nnz s VAL 21 Cb -0.07 -0.50 0.09 0.00 -1.53 0.00 0.00 36.38 34.36 2nnz s VAL 21 CO 0.12 -0.12 0.70 -0.62 -3.33 0.00 0.00 175.10 171.85 2nnz n GLU 22 N 2.20 0.59 -3.73 1.54 1.02 -0.88 -1.18 120.64 120.20 2nnz n GLU 22 Ca -0.17 -2.63 -0.14 0.00 -0.02 0.00 0.00 57.16 54.20 2nnz n GLU 22 Cb 0.57 -0.25 -0.09 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.50 0.05 -4.62 2.96 0.52 -3.68 118.68 114.42 2nnz s LEU 23 Ca 0.53 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 55.06 2nnz s LEU 23 Cb -0.04 1.44 -0.03 0.00 0.50 0.00 0.00 46.19 48.06 2nnz s LEU 23 CO 0.34 -0.29 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.57 2nnz s TYR 24 N -0.45 1.75 -1.10 5.38 2.02 -1.26 -3.23 117.35 120.46 2nnz s TYR 24 Ca -0.06 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2nnz s TYR 24 Cb -0.03 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 2nnz s TYR 24 CO 0.03 0.11 0.97 0.39 -1.57 0.00 0.00 175.55 175.47 2nnz n GLU 25 N 1.70 0.00 -0.29 -0.62 1.02 -1.26 -3.17 120.64 118.02 2nnz n GLU 25 Ca -0.18 0.44 0.34 0.00 -0.02 0.00 0.00 57.16 57.75 2nnz n GLU 25 Cb 0.53 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 31.15 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 0.10 114.58 120.33 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 -0.00 2.35 0.07 0.00 0.00 179.01 181.43 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.85 -3.45 115.95 119.72 2nnz h TRP 27 Ca 0.55 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.55 2nnz h TRP 27 Cb 2.49 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.55 2nnz h TRP 27 CO 0.00 0.39 0.00 0.00 -2.79 0.00 0.00 178.44 176.04 2nnz n ALA 28 N -2.72 0.00 -0.37 2.65 0.00 0.35 -4.63 120.51 115.81 2nnz n ALA 28 Ca -0.04 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.70 2nnz n ALA 28 Cb 0.19 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.24 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 0.22 0.08 0.00 0.13 -1.93 -0.48 132.00 130.02 2nnz h PRO 29 Ca 0.00 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2nnz h PRO 29 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2nnz h PRO 29 CO 0.00 0.14 -0.04 0.93 -0.23 0.00 0.00 178.00 178.80 2nnz h GLU 30 N 0.22 -0.11 -0.38 0.86 4.39 -1.95 -2.87 114.58 114.74 2nnz h GLU 30 Ca 0.66 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.35 2nnz h GLU 30 Cb 2.00 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 2nnz h GLU 30 CO -0.26 -0.04 0.16 1.79 -1.16 0.00 0.00 179.01 179.50 2nnz h THR 31 N -0.15 1.19 -1.25 1.13 1.35 -1.49 -2.50 112.91 111.19 2nnz h THR 31 Ca -0.01 -0.56 0.36 0.00 -0.55 0.00 0.00 66.41 65.65 2nnz h THR 31 Cb 0.12 0.86 -0.08 0.00 -1.73 0.00 0.00 68.15 67.33 2nnz h THR 31 CO 0.02 0.20 0.86 0.58 -0.25 0.00 0.00 175.52 176.93 2nnz h VAL 32 N 0.46 0.36 -0.89 6.82 2.07 -1.27 0.30 116.25 124.10 2nnz h VAL 32 Ca 0.13 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2nnz h VAL 32 Cb 0.17 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2nnz h VAL 32 CO -0.01 0.02 0.59 -0.09 0.02 0.00 0.00 177.57 178.10 2nnz h ARG 33 N 0.12 1.10 -0.22 1.57 2.43 -1.23 -2.33 114.38 115.82 2nnz h ARG 33 Ca 0.65 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.73 2nnz h ARG 33 Cb 2.26 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.55 2nnz h ARG 33 CO -0.15 0.73 0.06 0.00 -1.51 0.00 0.00 179.97 179.09 2nnz h ALA 34 N 1.47 0.29 -0.15 2.80 0.00 -0.52 -0.13 119.26 123.03 2nnz h ALA 34 Ca 0.35 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2nnz h ALA 34 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2nnz h ALA 34 CO -0.10 -0.06 -0.14 0.82 0.00 0.00 0.00 179.25 179.78 2nnz h ILE 35 N 0.18 0.62 0.00 0.00 1.08 -1.46 0.56 117.51 118.48 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 0.27 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 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 0.94 1.59 0.00 1.87 0.00 -1.34 -0.71 119.26 121.61 2nnz h ALA 36 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2nnz h ALA 36 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nnz h ALA 36 CO -0.25 0.15 -0.33 0.22 0.00 0.00 0.00 179.25 179.05 2nnz h ASP 37 N 0.00 0.00 -1.62 0.00 3.58 0.98 -3.23 116.42 116.13 2nnz h ASP 37 Ca -0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2nnz h ASP 37 Cb 0.25 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.07 2nnz h ASP 37 CO 0.02 0.33 0.80 0.00 -2.88 0.00 0.00 179.24 177.50 2nnz n ALA 38 N -2.28 6.50 -1.00 -0.78 0.00 -0.23 -4.99 120.51 117.73 2nnz n ALA 38 Ca -0.00 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.75 2nnz n ALA 38 Cb 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 0.03 0.00 -2.13 0.00 4.77 -1.22 -4.57 117.00 113.88 2nnz n LEU 39 Ca 0.52 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.23 2nnz n LEU 39 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2nnz n LEU 39 CO 0.44 -0.45 0.92 -2.65 -1.33 0.00 0.00 177.39 174.32 2nnz n PRO 40 N -0.02 0.00 -3.75 3.23 -0.02 -0.22 -4.46 135.00 129.77 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 -0.74 -0.09 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.39 0.05 0.06 4.25 1.01 -0.39 -4.95 121.20 124.60 2nnz s ILE 41 Ca 0.61 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.64 2nnz s ILE 41 Cb -0.70 -0.61 -0.06 0.00 0.01 0.00 0.00 42.46 41.09 2nnz s ILE 41 CO 0.30 -0.21 0.71 -0.54 0.00 0.00 0.00 174.94 175.20 2nnz s LYS 42 N -1.10 4.44 -0.01 2.79 1.02 -1.26 -1.90 119.74 123.71 2nnz s LYS 42 Ca -0.12 0.98 -0.09 0.00 0.02 0.00 0.00 55.97 56.76 2nnz s LYS 42 Cb -0.05 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2nnz s LYS 42 CO 0.04 0.38 0.19 -1.54 -0.92 0.00 0.00 175.35 173.50 2nnz s SER 43 N -0.37 -0.06 -0.22 2.83 1.04 0.31 -4.90 113.70 112.33 2nnz s SER 43 Ca 0.36 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.64 2nnz s SER 43 Cb -0.20 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2nnz s SER 43 CO 0.22 -0.35 0.11 -0.89 0.98 0.00 0.00 173.24 173.31 2nnz s THR 44 N -1.18 5.00 -0.01 2.02 2.01 -1.26 0.06 115.64 122.29 2nnz s THR 44 Ca -0.13 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 2nnz s THR 44 Cb -0.06 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2nnz s THR 44 CO 0.02 0.38 0.74 0.00 -0.69 0.00 0.00 174.62 175.07 2nnz s ALA 45 N 0.92 3.35 -0.21 7.40 0.00 -1.12 -4.38 121.76 127.73 2nnz s ALA 45 Ca 0.06 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 2nnz s ALA 45 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2nnz s ALA 45 CO 0.03 -0.01 0.13 -0.80 0.00 0.00 0.00 175.76 175.11 2nnz s ASN 46 N 0.35 6.12 -0.02 0.00 0.01 -1.11 -3.46 114.94 116.82 2nnz s ASN 46 Ca 0.38 0.17 -0.19 0.00 -0.71 0.00 0.00 52.86 52.52 2nnz s ASN 46 Cb -0.19 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 2nnz s ASN 46 CO 0.21 0.14 0.54 -0.13 -1.51 0.00 0.00 177.10 176.34 2nnz s ARG 47 N 0.61 4.25 -0.06 -0.60 1.81 -1.26 -3.52 118.95 120.18 2nnz s ARG 47 Ca 0.07 0.62 -0.22 0.00 -1.72 0.00 0.00 55.73 54.49 2nnz s ARG 47 Cb -0.12 -3.33 0.05 0.00 -0.45 0.00 0.00 34.95 31.09 2nnz s ARG 47 CO 0.00 0.40 0.49 -0.46 -0.68 0.00 0.00 175.30 175.05 2nnz s TRP 48 N -0.24 -0.43 -0.30 -0.53 -0.11 -0.86 -4.94 118.94 111.52 2nnz s TRP 48 Ca 0.29 0.79 -0.03 0.00 1.22 0.00 0.00 56.10 58.37 2nnz s TRP 48 Cb -0.17 0.24 -0.10 0.00 -1.50 0.00 0.00 33.47 31.93 2nnz s TRP 48 CO 0.15 -0.46 0.87 0.41 -4.62 0.00 0.00 176.95 173.30 2nnz n GLY 49 N 1.37 -0.15 4.30 5.86 0.00 -1.26 -0.60 105.19 114.70 2nnz n GLY 49 Ca -0.19 -0.00 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 2.66 0.00 -4.68 1.61 2.03 -1.26 -3.91 116.55 112.99 2nnz n ASP 50 Ca 0.20 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.09 2nnz n ASP 50 Cb 0.15 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 4.29 -0.22 -0.67 2.12 0.23 -4.62 118.70 119.83 2nnz s GLU 51 Ca 0.00 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.19 2nnz s GLU 51 Cb 0.00 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.83 2nnz s GLU 51 CO 0.00 -0.57 -0.05 -1.50 -0.54 0.00 0.00 175.26 172.60 2nnz s ILE 52 N 2.59 1.40 -0.06 -3.70 1.10 -1.26 -2.04 121.20 119.24 2nnz s ILE 52 Ca 0.61 -1.07 0.05 0.00 -0.51 0.00 0.00 60.65 59.73 2nnz s ILE 52 Cb -0.28 -1.66 -0.00 0.00 0.15 0.00 0.00 42.46 40.66 2nnz s ILE 52 CO 0.24 -0.06 -0.22 -0.72 -2.11 0.00 0.00 174.94 172.07 2nnz s TYR 53 N 1.46 2.16 0.01 3.50 -0.85 -1.23 -2.81 117.35 119.60 2nnz s TYR 53 Ca -0.04 -0.69 -0.00 0.00 -0.52 0.00 0.00 57.07 55.81 2nnz s TYR 53 Cb -0.18 -1.44 -0.01 0.00 0.38 0.00 0.00 41.96 40.71 2nnz s TYR 53 CO -0.07 -0.24 -0.01 -0.59 -1.52 0.00 0.00 175.55 173.12 2nnz s PHE 54 N 0.04 0.14 0.14 -3.49 -0.12 -1.20 -2.75 117.98 110.74 2nnz s PHE 54 Ca -0.07 -0.28 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 2nnz s PHE 54 Cb -0.14 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.09 2nnz s PHE 54 CO 0.04 -0.11 0.44 0.99 -0.05 0.00 0.00 175.22 176.54 2nnz s THR 55 N -0.82 5.05 0.00 -4.49 2.01 -1.26 -3.66 115.64 112.47 2nnz s THR 55 Ca -0.09 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2nnz s THR 55 Cb -0.06 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2nnz s THR 55 CO -0.01 0.13 0.76 0.35 -0.69 0.00 0.00 174.62 175.17 2nnz n THR 56 N 0.42 0.57 -0.15 -0.82 -2.24 -1.26 -4.43 114.28 106.36 2nnz n THR 56 Ca -0.04 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2nnz n THR 56 Cb 0.52 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.29 0.00 -2.86 -0.78 1.13 -1.26 -5.00 117.38 108.32 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 0.19 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 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 -2.98 4.67 -0.60 5.09 0.11 -1.26 -5.00 120.40 120.43 2nnz s VAL 58 Ca 0.00 1.18 -0.08 0.00 -2.93 0.00 0.00 61.98 60.15 2nnz s VAL 58 Cb 0.00 -4.26 0.16 0.00 -1.53 0.00 0.00 36.38 30.75 2nnz s VAL 58 CO 0.00 -0.42 0.47 0.00 -3.33 0.00 0.00 175.10 171.82 2nnz s ALA 59 N 3.26 3.61 -0.28 1.54 0.00 -1.26 -4.87 121.76 123.75 2nnz s ALA 59 Ca 0.36 -2.94 0.03 0.00 0.00 0.00 0.00 51.96 49.41 2nnz s ALA 59 Cb -0.13 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.13 2nnz s ALA 59 CO 0.16 -2.05 -0.05 0.54 0.00 0.00 0.00 175.76 174.36 2nnz s VAL 60 N 0.65 2.13 -0.05 0.00 0.11 -1.26 -5.10 120.40 116.88 2nnz s VAL 60 Ca 0.12 -1.83 0.07 0.00 -2.93 0.00 0.00 61.98 57.41 2nnz s VAL 60 Cb -0.21 -2.36 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 2nnz s VAL 60 CO -0.03 -0.23 -0.25 -1.61 -3.33 0.00 0.00 175.10 169.65 2nnz s GLU 61 N 1.07 2.42 0.18 1.54 2.02 -1.26 -4.83 118.70 119.84 2nnz s GLU 61 Ca -0.02 -0.90 -0.18 0.00 0.02 0.00 0.00 54.97 53.88 2nnz s GLU 61 Cb -0.20 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 31.96 2nnz s GLU 61 CO -0.06 0.42 0.53 0.21 0.02 0.00 0.00 175.26 176.37 2nnz s LYS 62 N -0.26 1.33 -0.84 1.61 2.47 -1.26 -5.11 119.74 117.68 2nnz s LYS 62 Ca -0.00 -0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 53.54 2nnz s LYS 62 Cb -0.13 0.53 0.22 0.00 -1.46 0.00 0.00 37.83 36.99 2nnz s LYS 62 CO 0.03 -0.57 0.75 -1.21 0.16 0.00 0.00 175.35 174.51 2nnz s GLU 63 N -3.84 3.41 -0.18 4.03 8.01 -1.26 -4.99 118.70 123.88 2nnz s GLU 63 Ca 0.07 -2.73 -0.30 0.00 0.01 0.00 0.00 54.97 52.02 2nnz s GLU 63 Cb -0.01 -4.21 0.14 0.00 -4.31 0.00 0.00 34.13 25.74 2nnz s GLU 63 CO -0.06 -1.25 1.05 -1.83 0.01 0.00 0.00 175.26 173.18 2nnz s GLU 64 N -0.37 0.52 0.53 1.61 -1.05 -1.26 -5.05 118.70 113.64 2nnz s GLU 64 Ca 0.21 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 2nnz s GLU 64 Cb -0.12 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2nnz s GLU 64 CO -0.08 -0.16 0.00 -1.71 0.95 0.00 0.00 175.26 174.26 2nnz n ASN 65 N 0.74 0.00 -1.85 0.83 5.15 -1.26 -4.89 115.26 113.98 2nnz n ASN 65 Ca -0.09 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.77 2nnz n ASN 65 Cb 0.58 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.84 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2nnz n SER 66 N 3.78 -2.12 -4.93 1.20 7.64 -1.26 -4.93 113.62 112.99 2nnz n SER 66 Ca 0.00 -0.02 -0.25 0.00 1.01 0.00 0.00 58.87 59.61 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 -0.80 3.37 0.00 1.43 0.00 0.32 -4.45 119.74 119.60 2nnz s LYS 67 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 55.97 55.41 2nnz s LYS 67 Cb -0.01 -2.90 0.00 0.00 0.00 0.00 0.00 37.83 34.91 2nnz s LYS 67 CO 0.26 0.49 0.32 -0.40 0.00 0.00 0.00 175.35 176.02 2nnz n ASP 68 N -0.73 0.63 -4.14 0.03 5.68 -1.26 0.75 116.55 117.51 2nnz n ASP 68 Ca -0.08 -0.83 -0.24 0.00 -0.50 0.00 0.00 54.79 53.15 2nnz n ASP 68 Cb 0.55 0.30 -0.15 0.00 -1.14 0.00 0.00 41.12 40.68 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nnz s VAL 69 N -0.30 1.27 0.10 2.12 0.11 -1.26 -4.39 120.40 118.04 2nnz s VAL 69 Ca 0.00 -0.69 -0.23 0.00 -2.93 0.00 0.00 61.98 58.13 2nnz s VAL 69 Cb 0.00 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.86 2nnz s VAL 69 CO 0.00 0.36 0.58 0.68 -3.33 0.00 0.00 175.10 173.38 2nnz s VAL 70 N -0.38 0.01 0.16 2.04 -7.23 -1.26 -5.10 120.40 108.64 2nnz s VAL 70 Ca 0.06 -0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 2nnz s VAL 70 Cb -0.06 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 2nnz s VAL 70 CO -0.01 -0.06 0.40 -1.61 -0.31 0.00 0.00 175.10 173.51 2nnz s GLU 71 N -3.13 3.62 -0.11 4.82 2.02 -1.26 -4.89 118.70 119.76 2nnz s GLU 71 Ca -0.02 -0.09 -0.40 0.00 0.02 0.00 0.00 54.97 54.49 2nnz s GLU 71 Cb -0.00 -2.82 -0.18 0.00 0.10 0.00 0.00 34.13 31.22 2nnz s GLU 71 CO -0.07 0.44 1.42 -0.11 0.02 0.00 0.00 175.26 176.95 2nnz n LEU 72 N -0.05 1.37 0.00 1.80 7.94 -1.26 -2.34 117.00 124.46 2nnz n LEU 72 Ca -0.02 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.52 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2nnz n LEU 72 CO 0.48 -1.07 0.00 0.61 -1.11 0.00 0.00 177.39 176.31 2nnz n GLY 73 N 2.91 1.30 3.84 -3.96 0.00 -1.26 -5.10 105.19 102.92 2nnz n GLY 73 Ca 0.23 -0.08 -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 -0.40 6.13 0.15 1.61 1.47 -0.99 -3.18 116.67 121.47 2nnz s ASP 74 Ca 0.00 1.58 0.09 0.00 1.18 0.00 0.00 52.55 55.40 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 -0.93 -0.15 -0.69 0.68 0.00 0.00 175.17 174.08 2nnz s VAL 75 N -2.83 2.93 -0.00 2.11 1.01 0.10 -4.45 120.40 119.27 2nnz s VAL 75 Ca 0.59 -1.63 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 2nnz s VAL 75 Cb -0.12 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.89 2nnz s VAL 75 CO 0.43 -0.01 0.37 0.00 0.00 0.00 0.00 175.10 175.89 2nnz s ALA 76 N -1.45 -0.94 -0.24 5.51 0.00 -1.25 -2.39 121.76 121.01 2nnz s ALA 76 Ca 0.21 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 2nnz s ALA 76 Cb -0.09 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2nnz s ALA 76 CO 0.12 -0.32 0.12 -0.47 0.00 0.00 0.00 175.76 175.22 2nnz s TYR 77 N -1.61 3.23 -0.07 0.00 6.14 0.54 -2.67 117.35 122.90 2nnz s TYR 77 Ca -0.11 0.03 -0.30 0.00 0.64 0.00 0.00 57.07 57.33 2nnz s TYR 77 Cb -0.03 -2.24 -0.05 0.00 0.42 0.00 0.00 41.96 40.05 2nnz s TYR 77 CO 0.03 -0.05 1.69 -0.46 0.64 0.00 0.00 175.55 177.40 2nnz s TRP 78 N 1.17 1.91 0.00 4.97 -0.11 0.27 -1.76 118.94 125.40 2nnz s TRP 78 Ca 0.06 0.20 0.00 0.00 1.22 0.00 0.00 56.10 57.58 2nnz s TRP 78 Cb -0.14 -3.95 0.00 0.00 -1.50 0.00 0.00 33.47 27.88 2nnz s TRP 78 CO 0.05 -3.88 0.50 -0.89 -4.62 0.00 0.00 176.95 168.11 2nnz n ILE 79 N 5.68 0.00 -1.52 5.86 5.41 -1.24 -1.98 119.36 131.57 2nnz n ILE 79 Ca 0.18 0.97 -0.13 0.00 1.00 0.00 0.00 62.75 64.77 2nnz n ILE 79 Cb 0.43 -1.92 -0.10 0.00 -0.71 0.00 0.00 39.64 37.34 2nnz n ILE 79 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2nnz n PRO 80 N -1.85 0.21 0.00 0.38 -0.02 -1.26 0.13 135.00 132.59 2nnz n PRO 80 Ca 0.00 -1.25 0.00 0.00 -2.02 0.00 0.00 63.50 60.23 2nnz n PRO 80 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 33.50 29.97 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 6.17 0.63 4.10 -1.23 0.00 -1.26 -4.84 105.19 108.76 2nnz n GLY 81 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.84 -4.99 1.61 4.01 0.12 -4.95 118.16 110.13 2nnz n LYS 82 Ca 0.00 0.44 -0.32 0.00 -0.51 0.00 0.00 58.31 57.92 2nnz n LYS 82 Cb 0.00 -5.22 -0.15 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 -3.26 2.48 0.26 7.82 0.00 -0.84 -4.68 121.76 123.54 2nnz s ALA 83 Ca 0.72 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 51.50 2nnz s ALA 83 Cb -0.38 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.71 2nnz s ALA 83 CO 0.88 0.41 0.78 0.42 0.00 0.00 0.00 175.76 178.25 2nnz s ILE 84 N -0.19 4.50 -0.02 0.00 1.01 -1.24 0.96 121.20 126.21 2nnz s ILE 84 Ca -0.01 1.36 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 2nnz s ILE 84 Cb -0.13 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2nnz s ILE 84 CO 0.03 0.13 0.05 0.00 0.00 0.00 0.00 174.94 175.15 2nnz s LEU 86 N 0.84 3.69 -0.12 0.00 1.43 -1.12 -3.82 118.68 119.57 2nnz s LEU 86 Ca -0.07 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2nnz s LEU 86 Cb -0.10 -3.95 0.04 0.00 0.03 0.00 0.00 46.19 42.21 2nnz s LEU 86 CO -0.03 -0.52 0.04 -0.36 0.23 0.00 0.00 176.35 175.71 2nnz s PHE 87 N -2.62 0.61 -0.31 0.29 0.08 -1.26 -4.11 117.98 110.66 2nnz s PHE 87 Ca 0.49 -0.34 0.14 0.00 0.12 0.00 0.00 56.93 57.34 2nnz s PHE 87 Cb -0.10 -0.81 0.41 0.00 -0.57 0.00 0.00 43.02 41.95 2nnz s PHE 87 CO 0.40 -0.43 1.45 0.34 -0.10 0.00 0.00 175.22 176.89 2nnz n PHE 88 N 5.16 -1.43 0.00 0.36 7.35 -1.26 -4.21 117.46 123.43 2nnz n PHE 88 Ca -0.07 -1.73 0.00 0.00 -0.76 0.00 0.00 57.45 54.89 2nnz n PHE 88 Cb 0.49 1.22 0.00 0.00 0.35 0.00 0.00 39.48 41.54 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nnz n GLY 89 N -1.32 -1.85 0.00 7.13 0.00 -1.26 -4.91 105.19 102.98 2nnz n GLY 89 Ca -0.14 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.39 -3.39 1.61 -0.00 -1.26 -4.85 118.16 110.66 2nnz n LYS 90 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2nnz n LYS 90 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 2nnz n LYS 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2nnz n THR 91 N 0.00 0.00 0.23 0.58 -1.04 -1.25 -3.88 114.28 108.92 2nnz n THR 91 Ca 0.00 -1.21 0.06 0.00 -2.04 0.00 0.00 64.05 60.86 2nnz n THR 91 Cb 0.00 0.84 0.32 0.00 -1.82 0.00 0.00 70.33 69.67 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2nnz h PRO 92 N 0.00 0.00 -1.43 -2.82 0.11 -1.87 -2.63 132.00 123.37 2nnz h PRO 92 Ca -0.23 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.46 2nnz h PRO 92 Cb 0.95 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.74 2nnz h PRO 92 CO 0.31 0.00 -0.97 0.44 -0.21 0.00 0.00 178.00 177.57 2nnz n ILE 93 N -2.24 -0.21 0.00 4.15 -5.35 -1.26 -5.02 119.36 109.43 2nnz n ILE 93 Ca -0.01 -3.60 0.00 0.00 -0.27 0.00 0.00 62.75 58.87 2nnz n ILE 93 Cb 0.55 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2nnz n SER 94 N 0.58 0.00 0.00 7.28 7.64 -0.99 -4.12 113.62 124.01 2nnz n SER 94 Ca 0.19 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2nnz n SER 94 Cb 0.64 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.05 0.00 0.00 6.43 8.00 -1.26 -0.93 116.55 126.74 2nnz n ASP 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2nnz n ASP 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 5.68 0.45 -0.22 -2.24 9.92 -1.26 -5.08 116.55 123.81 2nnz n ASP 96 Ca 0.00 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 2nnz n ASP 96 Cb 0.00 0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 -0.47 0.00 -3.98 -1.24 5.02 -0.10 -5.13 118.16 112.26 2nnz n LYS 97 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2nnz n LYS 97 Cb 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.88 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nnz s ILE 98 N -2.14 2.46 -0.57 -0.18 1.01 -1.26 -4.22 121.20 116.30 2nnz s ILE 98 Ca 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 60.65 58.29 2nnz s ILE 98 Cb 0.00 -2.74 0.13 0.00 0.01 0.00 0.00 42.46 39.86 2nnz s ILE 98 CO 0.00 -0.54 0.55 -0.60 0.00 0.00 0.00 174.94 174.35 2nnz s ARG 99 N 0.97 3.05 0.31 2.79 6.06 -1.26 -4.66 118.95 126.22 2nnz s ARG 99 Ca 0.08 -1.73 0.09 0.00 -2.50 0.00 0.00 55.73 51.68 2nnz s ARG 99 Cb -0.20 -4.31 0.52 0.00 0.06 0.00 0.00 34.95 31.02 2nnz s ARG 99 CO -0.07 -1.35 1.72 -1.00 -2.50 0.00 0.00 175.30 172.10 2nnz h PRO 100 N 8.84 0.12 0.00 5.12 0.13 -1.95 -3.40 132.00 140.85 2nnz h PRO 100 Ca -0.26 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 1.02 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 2nnz n ALA 101 N -2.46 0.00 0.40 -0.56 0.00 -1.26 -4.92 120.51 111.70 2nnz n ALA 101 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2nnz n ALA 101 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 2nnz n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nnz n SER 102 N 0.00 0.82 -2.71 0.00 7.64 -1.26 -4.71 113.62 113.40 2nnz n SER 102 Ca 0.00 -0.91 -0.06 0.00 1.01 0.00 0.00 58.87 58.90 2nnz n SER 102 Cb 0.00 0.70 0.06 0.00 -1.01 0.00 0.00 64.21 63.96 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnz n ALA 103 N -0.67 -2.33 -2.42 -0.43 0.00 -1.26 -4.61 120.51 108.79 2nnz n ALA 103 Ca 0.03 -0.92 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 2nnz n ALA 103 Cb 0.16 -2.17 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 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 0.42 2.65 0.40 0.00 -7.23 0.23 -3.64 120.40 113.23 2nnz s VAL 104 Ca 0.29 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 59.21 2nnz s VAL 104 Cb 0.22 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 2nnz s VAL 104 CO -0.17 0.45 0.84 0.20 -0.31 0.00 0.00 175.10 176.11 2nnz s ASN 105 N -1.09 6.77 -1.04 4.85 0.02 -0.72 0.12 114.94 123.85 2nnz s ASN 105 Ca 0.13 1.43 -0.18 0.00 -1.02 0.00 0.00 52.86 53.21 2nnz s ASN 105 Cb -0.10 -2.44 0.12 0.00 0.02 0.00 0.00 41.25 38.85 2nnz s ASN 105 CO 0.03 -0.34 1.30 -0.69 0.02 0.00 0.00 177.10 177.42 2nnz s VAL 106 N -2.19 4.60 -1.12 1.60 1.01 -1.26 -0.34 120.40 122.70 2nnz s VAL 106 Ca 0.57 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2nnz s VAL 106 Cb -0.10 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.39 2nnz s VAL 106 CO 0.20 -1.65 0.34 0.00 0.00 0.00 0.00 175.10 173.98 2nnz n ILE 107 N 5.62 0.00 0.00 2.22 0.00 -1.00 -4.68 119.36 121.51 2nnz n ILE 107 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.06 2nnz n ILE 107 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 39.64 39.83 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 0.19 0.15 3.67 4.50 0.00 -1.17 -4.04 105.19 108.49 2nnz n GLY 108 Ca 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 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 1.59 -0.37 1.61 0.52 -1.25 0.02 118.95 121.07 2nnz s ARG 109 Ca 0.00 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.02 2nnz s ARG 109 Cb 0.00 0.54 0.00 0.00 0.52 0.00 0.00 34.95 36.01 2nnz s ARG 109 CO 0.00 -0.69 0.46 0.42 0.02 0.00 0.00 175.30 175.51 2nnz s ILE 110 N -3.93 5.06 0.00 1.52 1.01 -1.19 -2.07 121.20 121.60 2nnz s ILE 110 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2nnz s ILE 110 Cb -0.03 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2nnz s ILE 110 CO 0.04 -0.25 0.00 1.33 0.00 0.00 0.00 174.94 176.06 2nnz n VAL 111 N 5.40 0.00 -2.22 2.92 0.24 -1.25 -4.90 118.33 118.53 2nnz n VAL 111 Ca -0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.88 2nnz n VAL 111 Cb 0.49 -0.46 0.01 0.00 -1.47 0.00 0.00 33.84 32.40 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 -0.21 5.69 -1.19 -1.34 2.20 -1.26 -3.27 114.94 115.56 2nnz s ASN 112 Ca 0.00 2.23 -0.03 0.00 -0.94 0.00 0.00 52.86 54.12 2nnz s ASN 112 Cb 0.00 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 2nnz s ASN 112 CO 0.00 -1.24 0.37 -0.24 -2.94 0.00 0.00 177.10 173.04 2nnz n SER 113 N -1.26 -4.91 -4.62 3.54 2.88 -1.26 -3.82 113.62 104.17 2nnz n SER 113 Ca 0.11 -0.18 -0.44 0.00 -1.33 0.00 0.00 58.87 57.04 2nnz n SER 113 Cb 0.50 -3.82 -0.04 0.00 -0.75 0.00 0.00 64.21 60.11 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 -3.05 2.24 -4.63 -1.46 1.56 -1.20 -4.38 117.12 106.19 2nnz n MET 114 Ca -0.10 0.74 -0.29 0.00 -0.27 0.00 0.00 57.70 57.78 2nnz n MET 114 Cb 0.60 -2.99 -0.08 0.00 2.15 0.00 0.00 33.22 32.89 2nnz n MET 114 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2nnz s GLU 115 N 5.31 2.02 -0.67 2.12 2.56 -1.26 -5.06 118.70 123.72 2nnz s GLU 115 Ca 0.96 -2.24 0.00 0.00 0.00 0.00 0.00 54.97 53.69 2nnz s GLU 115 Cb -0.48 -1.16 0.40 0.00 2.00 0.00 0.00 34.13 34.89 2nnz s GLU 115 CO 0.42 -0.35 1.79 0.41 -0.56 0.00 0.00 175.26 176.97 2nnz n GLY 116 N -1.05 5.80 0.45 -1.50 0.00 -1.26 -4.79 105.19 102.84 2nnz n GLY 116 Ca -0.11 -2.50 0.36 0.00 0.00 0.00 0.00 46.02 43.77 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 2.55 0.26 -1.16 0.99 6.46 -1.95 0.13 115.31 122.59 2nnz h LEU 117 Ca 0.51 0.14 0.25 0.00 -0.12 0.00 0.00 57.88 58.66 2nnz h LEU 117 Cb 0.57 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 2nnz h LEU 117 CO 1.31 -0.19 1.06 0.07 -0.62 0.00 0.00 178.44 180.08 2nnz h LYS 118 N 0.10 0.00 -1.21 1.25 5.09 -1.86 0.25 116.57 120.19 2nnz h LYS 118 Ca 0.81 0.00 -0.47 0.00 0.09 0.00 0.00 60.65 61.08 2nnz h LYS 118 Cb 2.51 0.00 -0.21 0.00 0.10 0.00 0.00 32.23 34.62 2nnz h LYS 118 CO -0.44 0.00 0.60 0.41 -2.09 0.00 0.00 179.45 177.94 2nnz n GLY 119 N -1.66 4.70 3.84 0.07 0.00 0.45 -4.50 105.19 108.09 2nnz n GLY 119 Ca 0.19 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.27 4.41 0.41 1.61 -7.23 0.88 -5.05 120.40 112.17 2nnz s VAL 120 Ca 0.46 1.16 -0.22 0.00 -1.81 0.00 0.00 61.98 61.57 2nnz s VAL 120 Cb 0.37 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 2nnz s VAL 120 CO 0.01 -0.66 0.97 0.00 -0.31 0.00 0.00 175.10 175.12 2nnz s ALA 121 N -2.59 3.05 -0.34 1.32 0.00 -1.26 -4.92 121.76 117.02 2nnz s ALA 121 Ca 0.60 0.49 -0.36 0.00 0.00 0.00 0.00 51.96 52.69 2nnz s ALA 121 Cb -0.11 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 2nnz s ALA 121 CO 0.32 0.04 2.16 -0.40 0.00 0.00 0.00 175.76 177.87 2nnz n ASP 122 N -0.40 2.15 -1.60 0.00 5.75 -1.26 -4.22 116.55 116.98 2nnz n ASP 122 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2nnz n ASP 122 Cb 0.53 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 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 6.39 -4.34 3.46 6.12 0.00 -1.26 -4.96 105.19 110.60 2nnz n GLY 123 Ca 0.40 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.41 0.64 1.00 1.61 1.03 -1.22 -5.01 118.70 115.33 2nnz s GLU 124 Ca 0.00 0.79 -0.18 0.00 0.03 0.00 0.00 54.97 55.61 2nnz s GLU 124 Cb 0.00 0.29 -0.14 0.00 -0.80 0.00 0.00 34.13 33.48 2nnz s GLU 124 CO 0.00 -0.08 -0.82 0.45 -1.33 0.00 0.00 175.26 173.48 2nnz n SER 125 N 2.92 -5.50 -3.67 0.83 2.88 -1.26 -2.78 113.62 107.04 2nnz n SER 125 Ca -0.14 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 2nnz n SER 125 Cb 0.56 -0.76 -0.09 0.00 -0.75 0.00 0.00 64.21 63.17 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 -2.02 -0.14 -0.25 2.46 1.01 0.11 -4.31 120.40 117.26 2nnz s VAL 126 Ca 0.41 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2nnz s VAL 126 Cb -0.15 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.56 2nnz s VAL 126 CO 0.80 0.03 -0.02 0.68 0.00 0.00 0.00 175.10 176.59 2nnz s VAL 127 N 1.68 1.44 -0.06 2.92 -7.23 -1.25 0.11 120.40 118.02 2nnz s VAL 127 Ca -0.09 -1.28 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 2nnz s VAL 127 Cb -0.08 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2nnz s VAL 127 CO -0.15 -0.21 0.83 -0.69 -0.31 0.00 0.00 175.10 174.56 2nnz s VAL 128 N 1.41 4.95 -0.19 1.32 1.01 -0.80 -3.76 120.40 124.34 2nnz s VAL 128 Ca -0.02 1.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 2nnz s VAL 128 Cb -0.19 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2nnz s VAL 128 CO -0.08 0.17 0.47 -1.83 0.00 0.00 0.00 175.10 173.83 2nnz s GLU 129 N 1.14 0.45 -0.99 2.72 -1.05 -0.63 -1.05 118.70 119.29 2nnz s GLU 129 Ca 0.43 0.89 -0.23 0.00 -0.15 0.00 0.00 54.97 55.90 2nnz s GLU 129 Cb -0.19 0.02 -0.00 0.00 -0.44 0.00 0.00 34.13 33.53 2nnz s GLU 129 CO 0.20 -0.16 1.73 0.50 0.95 0.00 0.00 175.26 178.48 2nnz s ARG 130 N 1.50 3.07 0.00 -4.83 3.00 -1.26 0.95 118.95 121.38 2nnz s ARG 130 Ca -0.09 -0.80 0.00 0.00 -1.00 0.00 0.00 55.73 53.84 2nnz s ARG 130 Cb -0.08 -5.23 0.00 0.00 0.00 0.00 0.00 34.95 29.64 2nnz s ARG 130 CO -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 175.30 172.29