#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnz n GLY 2 N 0.00 2.62 0.00 3.03 0.00 -1.26 -5.04 105.19 104.54 2nnz n GLY 2 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.16 0.00 -1.54 1.61 1.02 -1.26 -4.61 120.64 114.70 2nnz n GLU 3 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 2nnz n GLU 3 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nnz n ARG 4 N 0.00 -1.46 0.00 3.49 5.12 -1.26 -3.81 116.66 118.74 2nnz n ARG 4 Ca 0.00 1.15 0.00 0.00 -1.93 0.00 0.00 57.85 57.07 2nnz n ARG 4 Cb 0.00 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 25.78 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nnz n GLY 5 N -0.35 0.26 2.78 -0.13 0.00 -1.26 -5.04 105.19 101.45 2nnz n GLY 5 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 3.97 -2.70 1.61 0.24 -1.25 -4.20 118.33 116.01 2nnz n VAL 6 Ca 0.00 -5.67 -0.04 0.00 -2.04 0.00 0.00 64.34 56.60 2nnz n VAL 6 Cb 0.00 -1.62 0.11 0.00 -1.47 0.00 0.00 33.84 30.86 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 0.13 1.35 -3.70 7.34 -0.58 -1.23 -4.55 120.64 119.40 2nnz n GLU 7 Ca 0.35 -1.76 -0.38 0.00 -0.42 0.00 0.00 57.16 54.94 2nnz n GLU 7 Cb 0.35 -0.03 -0.12 0.00 -0.57 0.00 0.00 31.44 31.07 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 -0.48 2.90 0.02 3.49 1.75 -1.14 -4.94 119.30 120.89 2nnz s MET 8 Ca 0.16 -1.00 0.03 0.00 -1.25 0.00 0.00 55.69 53.62 2nnz s MET 8 Cb 0.42 -3.52 -0.04 0.00 2.84 0.00 0.00 34.83 34.53 2nnz s MET 8 CO -0.10 -0.58 -0.02 -0.98 -0.65 0.00 0.00 175.02 172.69 2nnz s ARG 9 N 1.50 2.66 0.32 4.11 1.04 -1.26 -0.78 118.95 126.53 2nnz s ARG 9 Ca 0.01 -0.69 0.10 0.00 -1.04 0.00 0.00 55.73 54.12 2nnz s ARG 9 Cb -0.18 -2.59 -0.06 0.00 -2.04 0.00 0.00 34.95 30.08 2nnz s ARG 9 CO 0.04 0.60 -0.13 -0.48 -0.04 0.00 0.00 175.30 175.29 2nnz s LEU 10 N -1.63 2.68 -0.01 -1.89 2.34 -0.42 -4.40 118.68 115.36 2nnz s LEU 10 Ca 0.20 -1.14 0.00 0.00 0.06 0.00 0.00 54.13 53.25 2nnz s LEU 10 Cb -0.11 -1.03 -0.04 0.00 -0.56 0.00 0.00 46.19 44.45 2nnz s LEU 10 CO 0.11 -0.12 0.04 -0.60 -1.06 0.00 0.00 176.35 174.71 2nnz s ARG 11 N -3.58 2.94 -0.28 1.48 3.00 0.30 -2.90 118.95 119.91 2nnz s ARG 11 Ca 0.32 -0.54 -0.01 0.00 -1.00 0.00 0.00 55.73 54.50 2nnz s ARG 11 Cb -0.00 -2.77 0.13 0.00 0.00 0.00 0.00 34.95 32.30 2nnz s ARG 11 CO 0.16 0.64 0.26 0.42 0.00 0.00 0.00 175.30 176.78 2nnz s ILE 12 N -1.13 -0.35 0.17 4.11 1.01 -1.18 -1.58 121.20 122.25 2nnz s ILE 12 Ca 0.21 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.40 2nnz s ILE 12 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2nnz s ILE 12 CO 0.12 -0.48 0.30 0.00 0.00 0.00 0.00 174.94 174.88 2nnz s ARG 13 N 2.32 3.43 -0.01 2.79 1.70 -1.25 -3.16 118.95 124.77 2nnz s ARG 13 Ca 0.09 -0.64 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 2nnz s ARG 13 Cb -0.14 -2.94 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2nnz s ARG 13 CO -0.31 0.50 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.28 2nnz s PHE 14 N -1.80 0.64 0.56 5.89 0.40 0.41 -3.80 117.98 120.29 2nnz s PHE 14 Ca 0.34 -0.13 0.41 0.00 -0.60 0.00 0.00 56.93 56.95 2nnz s PHE 14 Cb -0.11 -0.45 1.53 0.00 0.51 0.00 0.00 43.02 44.51 2nnz s PHE 14 CO 0.29 -0.04 1.62 0.93 0.70 0.00 0.00 175.22 178.71 2nnz h GLU 15 N 6.20 0.00 0.00 0.44 3.07 -1.94 0.37 114.58 122.72 2nnz h GLU 15 Ca -0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 2nnz h GLU 15 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 2nnz h GLU 15 CO 0.49 0.00 -0.26 0.45 -1.40 0.00 0.00 179.01 178.29 2nnz n SER 16 N -3.88 1.65 -3.61 1.42 2.88 -1.26 -5.06 113.62 105.76 2nnz n SER 16 Ca 0.33 -2.93 -0.06 0.00 -1.33 0.00 0.00 58.87 54.88 2nnz n SER 16 Cb 1.61 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 64.64 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 -2.14 -2.03 -0.01 -1.46 0.00 0.13 -4.96 121.76 111.29 2nnz s ALA 17 Ca 0.26 1.75 0.03 0.00 0.00 0.00 0.00 51.96 54.00 2nnz s ALA 17 Cb 0.24 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2nnz s ALA 17 CO -0.01 -0.28 -0.10 -1.21 0.00 0.00 0.00 175.76 174.16 2nnz s GLU 18 N -1.09 0.88 -0.13 0.00 0.41 -1.26 0.15 118.70 117.66 2nnz s GLU 18 Ca 0.04 -0.37 -0.30 0.00 -0.41 0.00 0.00 54.97 53.93 2nnz s GLU 18 Cb -0.01 -0.84 0.10 0.00 -1.78 0.00 0.00 34.13 31.60 2nnz s GLU 18 CO -0.03 0.21 0.86 0.00 -0.49 0.00 0.00 175.26 175.81 2nnz s GLU 20 N -1.03 1.92 -0.09 0.00 2.02 -1.26 -3.08 118.70 117.18 2nnz s GLU 20 Ca -0.05 -1.46 -0.08 0.00 0.02 0.00 0.00 54.97 53.39 2nnz s GLU 20 Cb -0.01 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.24 2nnz s GLU 20 CO 0.05 0.39 0.25 0.54 0.02 0.00 0.00 175.26 176.50 2nnz s VAL 21 N -2.02 -0.01 0.62 2.63 0.11 -1.14 -3.21 120.40 117.37 2nnz s VAL 21 Ca 0.27 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2nnz s VAL 21 Cb -0.07 -0.36 0.12 0.00 -1.53 0.00 0.00 36.38 34.54 2nnz s VAL 21 CO 0.15 0.01 0.84 -0.62 -3.33 0.00 0.00 175.10 172.16 2nnz n GLU 22 N 3.20 0.04 -3.65 1.54 1.02 -0.69 -1.29 120.64 120.81 2nnz n GLU 22 Ca -0.15 -2.35 -0.15 0.00 -0.02 0.00 0.00 57.16 54.49 2nnz n GLU 22 Cb 0.57 -0.54 -0.08 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.05 0.06 -4.62 2.96 0.03 -3.61 118.68 113.45 2nnz s LEU 23 Ca 0.56 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 55.26 2nnz s LEU 23 Cb -0.03 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.58 2nnz s LEU 23 CO 0.37 -0.40 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.51 2nnz s TYR 24 N -0.61 1.60 -0.90 5.38 2.02 -1.26 -2.89 117.35 120.69 2nnz s TYR 24 Ca -0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2nnz s TYR 24 Cb -0.03 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2nnz s TYR 24 CO 0.05 0.10 0.87 0.39 -1.57 0.00 0.00 175.55 175.39 2nnz n GLU 25 N 1.64 0.00 -0.24 -0.62 1.02 -1.26 -3.03 120.64 118.14 2nnz n GLU 25 Ca -0.18 0.38 0.32 0.00 -0.02 0.00 0.00 57.16 57.66 2nnz n GLU 25 Cb 0.54 -1.58 0.67 0.00 -0.02 0.00 0.00 31.44 31.05 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 0.12 114.58 120.35 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 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2nnz h GLU 26 CO 0.00 0.00 -0.05 2.35 0.07 0.00 0.00 179.01 181.38 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.82 -3.44 115.95 119.76 2nnz h TRP 27 Ca 0.50 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.50 2nnz h TRP 27 Cb 2.40 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.46 2nnz h TRP 27 CO 0.00 0.42 0.00 0.00 -2.79 0.00 0.00 178.44 176.07 2nnz n ALA 28 N -2.76 0.00 -0.65 2.65 0.00 0.40 -4.62 120.51 115.54 2nnz n ALA 28 Ca -0.05 0.00 0.50 0.00 0.00 0.00 0.00 53.44 53.90 2nnz n ALA 28 Cb 0.21 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.46 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2nnz h PRO 29 N 0.00 0.00 -0.40 0.00 0.11 -1.93 0.57 132.00 130.36 2nnz h PRO 29 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2nnz h PRO 29 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2nnz h PRO 29 CO 0.00 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 178.57 2nnz h GLU 30 N 0.00 0.81 -0.23 1.05 4.39 -1.95 -3.09 114.58 115.57 2nnz h GLU 30 Ca 0.88 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 60.17 2nnz h GLU 30 Cb 3.60 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 32.21 2nnz h GLU 30 CO -0.01 0.96 -0.14 1.79 -1.16 0.00 0.00 179.01 180.46 2nnz h THR 31 N 0.62 1.31 -1.08 1.13 1.35 -0.23 -2.99 112.91 113.03 2nnz h THR 31 Ca 0.09 -1.23 0.29 0.00 -0.55 0.00 0.00 66.41 65.01 2nnz h THR 31 Cb 0.70 1.63 -0.07 0.00 -1.73 0.00 0.00 68.15 68.67 2nnz h THR 31 CO 0.05 0.38 0.73 0.58 -0.25 0.00 0.00 175.52 177.01 2nnz h VAL 32 N 0.20 0.48 -0.79 6.82 2.07 -1.48 0.24 116.25 123.79 2nnz h VAL 32 Ca 0.05 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2nnz h VAL 32 Cb 0.65 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2nnz h VAL 32 CO 0.04 0.04 0.52 -0.09 0.02 0.00 0.00 177.57 178.09 2nnz h ARG 33 N 0.22 0.87 -0.09 1.57 2.43 -1.44 -2.11 114.38 115.83 2nnz h ARG 33 Ca 0.57 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.67 2nnz h ARG 33 Cb 1.79 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2nnz h ARG 33 CO -0.17 0.58 -0.00 0.00 -1.51 0.00 0.00 179.97 178.86 2nnz h ALA 34 N 1.56 0.13 -0.24 2.80 0.00 -0.65 -0.69 119.26 122.17 2nnz h ALA 34 Ca 0.33 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2nnz h ALA 34 Cb 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2nnz h ALA 34 CO -0.11 -0.18 -0.14 0.82 0.00 0.00 0.00 179.25 179.65 2nnz h ILE 35 N -0.12 0.59 0.00 0.00 1.08 -1.42 0.14 117.51 117.77 2nnz h ILE 35 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2nnz h ILE 35 Cb 0.37 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 2nnz h ILE 35 CO 0.01 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.37 2nnz h ALA 36 N 1.07 1.75 0.00 1.87 0.00 -1.35 -0.47 119.26 122.13 2nnz h ALA 36 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2nnz h ALA 36 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2nnz h ALA 36 CO -0.31 0.12 -0.28 0.22 0.00 0.00 0.00 179.25 178.99 2nnz h ASP 37 N 0.00 0.00 -2.00 0.00 3.58 0.79 -3.24 116.42 115.55 2nnz h ASP 37 Ca -0.00 0.00 -0.77 0.00 0.42 0.00 0.00 57.03 56.68 2nnz h ASP 37 Cb 0.17 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 40.96 2nnz h ASP 37 CO 0.01 0.28 1.05 0.00 -2.88 0.00 0.00 179.24 177.70 2nnz n ALA 38 N -2.25 6.47 -1.00 -0.78 0.00 -0.18 -5.01 120.51 117.75 2nnz n ALA 38 Ca -0.00 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2nnz n ALA 38 Cb 0.46 -2.04 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 -0.41 0.00 -2.08 0.00 4.77 -1.23 -4.55 117.00 113.51 2nnz n LEU 39 Ca 0.53 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 56.27 2nnz n LEU 39 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2nnz n LEU 39 CO 0.51 -0.44 0.94 -2.65 -1.33 0.00 0.00 177.39 174.41 2nnz n PRO 40 N 0.00 0.00 -3.82 3.23 -0.02 -0.35 -4.48 135.00 129.56 2nnz n PRO 40 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2nnz n PRO 40 Cb 0.00 -0.71 -0.09 0.00 -0.02 0.00 0.00 33.50 32.68 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 3.55 0.08 0.07 4.25 1.01 -0.34 -4.96 121.20 124.86 2nnz s ILE 41 Ca 0.61 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 2nnz s ILE 41 Cb -0.66 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.16 2nnz s ILE 41 CO 0.27 -0.34 0.71 -0.54 0.00 0.00 0.00 174.94 175.04 2nnz s LYS 42 N -1.56 4.44 -0.01 2.79 1.02 -1.26 -1.91 119.74 123.26 2nnz s LYS 42 Ca -0.13 0.99 -0.08 0.00 0.02 0.00 0.00 55.97 56.77 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 0.02 0.43 0.16 -1.54 -0.92 0.00 0.00 175.35 173.49 2nnz s SER 43 N -0.52 -0.02 -0.24 2.83 1.04 0.33 -4.89 113.70 112.23 2nnz s SER 43 Ca 0.35 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 2nnz s SER 43 Cb -0.21 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2nnz s SER 43 CO 0.22 -0.35 0.13 -0.89 0.98 0.00 0.00 173.24 173.34 2nnz s THR 44 N -1.22 5.06 0.07 2.02 2.01 -1.26 -0.01 115.64 122.31 2nnz s THR 44 Ca -0.13 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 2nnz s THR 44 Cb -0.07 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 2nnz s THR 44 CO 0.02 0.34 0.82 0.00 -0.69 0.00 0.00 174.62 175.10 2nnz s ALA 45 N 1.22 3.34 -0.19 7.40 0.00 -0.78 -4.31 121.76 128.44 2nnz s ALA 45 Ca 0.06 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2nnz s ALA 45 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2nnz s ALA 45 CO 0.05 0.06 0.01 -0.80 0.00 0.00 0.00 175.76 175.09 2nnz s ASN 46 N -0.14 5.04 0.03 0.00 0.01 -1.02 -3.50 114.94 115.37 2nnz s ASN 46 Ca 0.40 -0.12 -0.20 0.00 -0.71 0.00 0.00 52.86 52.24 2nnz s ASN 46 Cb -0.21 -1.86 -0.06 0.00 0.41 0.00 0.00 41.25 39.53 2nnz s ASN 46 CO 0.25 0.10 0.57 -0.13 -1.51 0.00 0.00 177.10 176.38 2nnz s ARG 47 N 0.79 4.24 -0.03 -0.60 1.81 -1.26 -3.01 118.95 120.89 2nnz s ARG 47 Ca 0.01 0.71 -0.14 0.00 -1.72 0.00 0.00 55.73 54.58 2nnz s ARG 47 Cb -0.14 -3.29 0.02 0.00 -0.45 0.00 0.00 34.95 31.09 2nnz s ARG 47 CO 0.02 0.51 0.31 -0.46 -0.68 0.00 0.00 175.30 175.00 2nnz s TRP 48 N -0.64 -0.21 -0.91 -0.53 -0.11 -0.10 -4.97 118.94 111.47 2nnz s TRP 48 Ca 0.29 0.36 -0.14 0.00 1.22 0.00 0.00 56.10 57.84 2nnz s TRP 48 Cb -0.19 0.10 -0.28 0.00 -1.50 0.00 0.00 33.47 31.61 2nnz s TRP 48 CO 0.18 -0.35 2.10 0.41 -4.62 0.00 0.00 176.95 174.66 2nnz n GLY 49 N 1.54 -0.45 4.18 5.86 0.00 -1.26 -0.93 105.19 114.13 2nnz n GLY 49 Ca -0.20 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 6.35 0.00 -4.85 1.61 2.03 -1.26 -4.17 116.55 116.26 2nnz n ASP 50 Ca 0.61 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.61 2nnz n ASP 50 Cb 0.10 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2nnz n ASP 50 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2nnz s GLU 51 N 0.00 3.95 -0.22 -0.67 2.02 -0.10 -4.39 118.70 119.28 2nnz s GLU 51 Ca 0.00 0.72 -0.06 0.00 0.02 0.00 0.00 54.97 55.65 2nnz s GLU 51 Cb 0.00 -2.32 0.11 0.00 0.10 0.00 0.00 34.13 32.02 2nnz s GLU 51 CO 0.00 -0.02 0.44 0.42 0.02 0.00 0.00 175.26 176.11 2nnz s ILE 52 N -2.28 -0.69 0.00 -1.63 1.09 -1.26 -0.93 121.20 115.52 2nnz s ILE 52 Ca 0.55 0.10 0.07 0.00 -1.10 0.00 0.00 60.65 60.27 2nnz s ILE 52 Cb -0.10 -0.74 -0.02 0.00 -1.06 0.00 0.00 42.46 40.54 2nnz s ILE 52 CO 0.24 0.02 -0.21 -0.72 -0.10 0.00 0.00 174.94 174.17 2nnz s TYR 53 N 2.63 1.86 0.01 3.97 -0.85 -1.16 -2.84 117.35 120.97 2nnz s TYR 53 Ca 0.02 -0.36 -0.01 0.00 -0.52 0.00 0.00 57.07 56.21 2nnz s TYR 53 Cb -0.13 -1.17 -0.01 0.00 0.38 0.00 0.00 41.96 41.03 2nnz s TYR 53 CO -0.14 0.01 -0.00 -0.59 -1.52 0.00 0.00 175.55 173.31 2nnz s PHE 54 N -0.60 0.12 0.19 -3.49 -0.12 -1.21 -2.42 117.98 110.46 2nnz s PHE 54 Ca 0.08 -0.25 -0.08 0.00 -0.05 0.00 0.00 56.93 56.63 2nnz s PHE 54 Cb -0.08 -0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.15 2nnz s PHE 54 CO 0.00 -0.11 0.48 0.99 -0.05 0.00 0.00 175.22 176.53 2nnz s THR 55 N -0.78 5.02 0.00 -4.49 2.01 -1.26 -3.67 115.64 112.47 2nnz s THR 55 Ca -0.09 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2nnz s THR 55 Cb -0.05 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.83 2nnz s THR 55 CO -0.00 -0.00 0.66 0.35 -0.69 0.00 0.00 174.62 174.94 2nnz n THR 56 N 0.04 0.42 -0.16 -0.82 -2.24 -1.26 -4.38 114.28 105.88 2nnz n THR 56 Ca -0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2nnz n THR 56 Cb 0.52 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.21 0.00 -2.87 -0.78 1.13 -1.26 -5.00 117.38 108.39 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 0.18 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 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 -2.99 4.72 -0.59 5.09 0.11 -1.26 -5.00 120.40 120.47 2nnz s VAL 58 Ca 0.00 1.29 -0.08 0.00 -2.93 0.00 0.00 61.98 60.26 2nnz s VAL 58 Cb 0.00 -4.22 0.15 0.00 -1.53 0.00 0.00 36.38 30.78 2nnz s VAL 58 CO 0.00 -0.33 0.46 0.00 -3.33 0.00 0.00 175.10 171.90 2nnz s ALA 59 N 3.15 3.59 -0.27 1.54 0.00 -1.26 -4.86 121.76 123.65 2nnz s ALA 59 Ca 0.36 -2.93 0.02 0.00 0.00 0.00 0.00 51.96 49.40 2nnz s ALA 59 Cb -0.14 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.15 2nnz s ALA 59 CO 0.14 -2.04 -0.02 0.54 0.00 0.00 0.00 175.76 174.37 2nnz s VAL 60 N 0.66 1.69 -0.03 0.00 0.11 -1.26 -5.11 120.40 116.45 2nnz s VAL 60 Ca 0.12 -1.54 0.04 0.00 -2.93 0.00 0.00 61.98 57.67 2nnz s VAL 60 Cb -0.21 -2.03 -0.00 0.00 -1.53 0.00 0.00 36.38 32.61 2nnz s VAL 60 CO -0.03 -0.27 -0.14 -1.61 -3.33 0.00 0.00 175.10 169.72 2nnz s GLU 61 N 1.28 1.37 0.20 1.54 2.02 -1.26 -4.83 118.70 119.03 2nnz s GLU 61 Ca -0.01 -0.49 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 2nnz s GLU 61 Cb -0.19 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 32.83 2nnz s GLU 61 CO -0.09 0.21 0.56 0.21 0.02 0.00 0.00 175.26 176.17 2nnz s LYS 62 N 0.01 1.42 -0.85 1.61 2.20 -1.26 -5.11 119.74 117.76 2nnz s LYS 62 Ca -0.02 -0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 54.61 2nnz s LYS 62 Cb -0.09 0.54 0.17 0.00 -1.51 0.00 0.00 37.83 36.94 2nnz s LYS 62 CO 0.01 -0.61 0.92 -1.21 -0.36 0.00 0.00 175.35 174.10 2nnz s GLU 63 N -3.86 3.55 -0.16 4.03 8.01 -1.26 -4.96 118.70 124.05 2nnz s GLU 63 Ca 0.08 -2.04 -0.30 0.00 0.01 0.00 0.00 54.97 52.72 2nnz s GLU 63 Cb -0.02 -4.63 0.13 0.00 -4.31 0.00 0.00 34.13 25.30 2nnz s GLU 63 CO -0.03 -1.53 1.04 -2.00 0.01 0.00 0.00 175.26 172.74 2nnz s GLU 64 N 1.54 0.55 0.00 1.61 2.12 -1.26 -5.04 118.70 118.21 2nnz s GLU 64 Ca 0.24 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2nnz s GLU 64 Cb -0.09 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.55 2nnz s GLU 64 CO -0.08 -0.19 0.00 -1.71 -0.54 0.00 0.00 175.26 172.75 2nnz n ASN 65 N 0.52 0.00 -1.44 -1.70 2.85 -1.26 -4.87 115.26 109.37 2nnz n ASN 65 Ca -0.08 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.32 2nnz n ASN 65 Cb 0.59 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.61 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2nnz n SER 66 N 2.70 -1.06 -4.90 1.20 7.64 -1.26 -4.92 113.62 113.02 2nnz n SER 66 Ca 0.00 -0.02 -0.23 0.00 1.01 0.00 0.00 58.87 59.63 2nnz n SER 66 Cb 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 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 -0.44 3.22 0.00 1.43 0.00 0.26 -4.51 119.74 119.70 2nnz s LYS 67 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 55.97 55.20 2nnz s LYS 67 Cb -0.01 -2.77 0.00 0.00 0.00 0.00 0.00 37.83 35.05 2nnz s LYS 67 CO 0.15 0.44 0.20 -0.40 0.00 0.00 0.00 175.35 175.74 2nnz n ASP 68 N -1.09 0.40 -4.14 0.03 5.75 -1.26 0.60 116.55 116.83 2nnz n ASP 68 Ca -0.08 -0.70 -0.22 0.00 -0.01 0.00 0.00 54.79 53.78 2nnz n ASP 68 Cb 0.57 0.57 -0.14 0.00 -1.03 0.00 0.00 41.12 41.08 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nnz s VAL 69 N -0.57 1.19 0.11 2.12 0.11 -1.26 -4.43 120.40 117.67 2nnz s VAL 69 Ca 0.00 -0.84 -0.23 0.00 -2.93 0.00 0.00 61.98 57.98 2nnz s VAL 69 Cb 0.00 -1.03 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 2nnz s VAL 69 CO 0.00 0.18 0.57 0.68 -3.33 0.00 0.00 175.10 173.21 2nnz s VAL 70 N -0.60 0.01 0.30 2.04 -7.23 -1.26 -5.10 120.40 108.57 2nnz s VAL 70 Ca 0.04 -0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.99 2nnz s VAL 70 Cb -0.07 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 2nnz s VAL 70 CO 0.00 -0.06 0.66 -1.61 -0.31 0.00 0.00 175.10 173.79 2nnz s GLU 71 N -3.23 3.85 -0.02 4.82 2.02 -1.26 -5.00 118.70 119.89 2nnz s GLU 71 Ca -0.01 0.43 -0.37 0.00 0.02 0.00 0.00 54.97 55.04 2nnz s GLU 71 Cb -0.00 -2.52 -0.15 0.00 0.10 0.00 0.00 34.13 31.56 2nnz s GLU 71 CO -0.08 0.18 1.56 -0.11 0.02 0.00 0.00 175.26 176.83 2nnz n LEU 72 N -0.54 2.35 0.00 1.80 7.94 -1.26 -2.43 117.00 124.86 2nnz n LEU 72 Ca 0.02 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.53 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2nnz n LEU 72 CO 0.45 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.72 2nnz n GLY 73 N 3.37 1.65 3.73 -3.96 0.00 -1.26 -5.09 105.19 103.63 2nnz n GLY 73 Ca 0.21 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.27 3.86 0.15 1.61 -4.77 -1.02 -3.30 116.67 112.92 2nnz s ASP 74 Ca 0.00 1.69 0.10 0.00 -3.30 0.00 0.00 52.55 51.04 2nnz s ASP 74 Cb 0.00 -2.36 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 2nnz s ASP 74 CO 0.00 -2.43 -0.23 -0.69 0.70 0.00 0.00 175.17 172.52 2nnz s VAL 75 N -2.89 2.13 -0.07 2.11 1.01 0.11 -4.47 120.40 118.33 2nnz s VAL 75 Ca 0.63 -1.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 2nnz s VAL 75 Cb -0.18 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.29 2nnz s VAL 75 CO 0.57 -0.08 0.40 0.00 0.00 0.00 0.00 175.10 175.98 2nnz s ALA 76 N -1.47 -1.00 -0.16 5.51 0.00 -1.25 -1.99 121.76 121.40 2nnz s ALA 76 Ca 0.16 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2nnz s ALA 76 Cb -0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 2nnz s ALA 76 CO 0.07 -0.25 0.26 -0.47 0.00 0.00 0.00 175.76 175.37 2nnz s TYR 77 N -0.73 3.47 -0.05 0.00 6.14 0.44 -2.67 117.35 123.94 2nnz s TYR 77 Ca -0.08 0.56 -0.30 0.00 0.64 0.00 0.00 57.07 57.89 2nnz s TYR 77 Cb -0.04 -2.28 -0.04 0.00 0.42 0.00 0.00 41.96 40.01 2nnz s TYR 77 CO 0.04 0.29 1.42 -0.46 0.64 0.00 0.00 175.55 177.48 2nnz s TRP 78 N 0.31 2.65 -0.00 4.97 -0.11 0.21 -1.43 118.94 125.53 2nnz s TRP 78 Ca 0.15 0.72 -0.05 0.00 1.22 0.00 0.00 56.10 58.14 2nnz s TRP 78 Cb -0.13 -3.68 -0.03 0.00 -1.50 0.00 0.00 33.47 28.14 2nnz s TRP 78 CO 0.03 -2.58 0.67 0.82 -4.62 0.00 0.00 176.95 171.27 2nnz h ILE 79 N 5.22 0.00 -0.41 5.86 2.04 -1.84 -2.65 117.51 125.74 2nnz h ILE 79 Ca -0.35 -0.09 -0.27 0.00 1.00 0.00 0.00 64.86 65.15 2nnz h ILE 79 Cb 1.16 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2nnz h ILE 79 CO 0.93 0.00 0.87 -2.16 0.00 0.00 0.00 178.15 177.79 2nnz s PRO 80 N -2.62 2.25 0.00 2.37 0.04 -1.26 -1.81 135.00 133.96 2nnz s PRO 80 Ca -0.03 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.01 2nnz s PRO 80 Cb 0.00 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2nnz s PRO 80 CO 0.08 -4.26 0.00 0.41 0.04 0.00 0.00 177.00 173.27 2nnz n GLY 81 N 5.90 0.52 2.51 0.56 0.00 -1.26 -4.87 105.19 108.56 2nnz n GLY 81 Ca 0.44 0.00 -0.15 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 -2.29 -4.51 1.61 4.01 -0.75 -4.95 118.16 111.28 2nnz n LYS 82 Ca 0.00 0.70 -0.34 0.00 -0.51 0.00 0.00 58.31 58.16 2nnz n LYS 82 Cb 0.00 -5.33 -0.12 0.00 -0.51 0.00 0.00 35.03 29.07 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 -2.75 3.00 0.21 7.82 0.00 -1.14 -4.68 121.76 124.23 2nnz s ALA 83 Ca 0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 2nnz s ALA 83 Cb -0.02 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 2nnz s ALA 83 CO 0.05 0.40 0.71 0.42 0.00 0.00 0.00 175.76 177.34 2nnz s ILE 84 N -0.25 4.58 -0.03 0.00 1.01 -1.24 0.66 121.20 125.93 2nnz s ILE 84 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.97 2nnz s ILE 84 Cb -0.13 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2nnz s ILE 84 CO 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 174.94 175.19 2nnz s LEU 86 N 0.92 3.78 -0.03 0.00 1.43 -1.13 -3.81 118.68 119.84 2nnz s LEU 86 Ca -0.09 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2nnz s LEU 86 Cb -0.13 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.21 2nnz s LEU 86 CO -0.01 -0.45 -0.02 -0.36 0.23 0.00 0.00 176.35 175.74 2nnz s PHE 87 N -2.49 0.47 0.00 0.29 0.08 -1.26 -3.99 117.98 111.08 2nnz s PHE 87 Ca 0.49 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.54 2nnz s PHE 87 Cb -0.10 -0.49 0.13 0.00 -0.57 0.00 0.00 43.02 41.98 2nnz s PHE 87 CO 0.37 -0.15 1.00 1.19 -0.10 0.00 0.00 175.22 177.53 2nnz n PHE 88 N 4.06 0.00 -0.39 0.36 3.01 -1.26 -4.45 117.46 118.79 2nnz n PHE 88 Ca -0.26 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 57.79 2nnz n PHE 88 Cb 0.51 0.24 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nnz n GLY 89 N 0.15 0.07 3.02 1.37 0.00 -1.26 -5.03 105.19 103.51 2nnz n GLY 89 Ca -0.13 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.10 -2.63 1.61 0.00 -1.26 -4.90 118.16 110.88 2nnz n LYS 90 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.31 58.22 2nnz n LYS 90 Cb 0.00 -1.04 -0.01 0.00 -0.00 0.00 0.00 35.03 33.98 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 -3.56 0.00 0.02 0.58 -1.04 -1.26 -4.44 114.28 104.59 2nnz n THR 91 Ca -0.02 -0.77 0.21 0.00 -2.04 0.00 0.00 64.05 61.43 2nnz n THR 91 Cb 0.75 0.51 0.54 0.00 -1.82 0.00 0.00 70.33 70.32 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 -1.55 -2.82 0.11 -1.84 -1.47 132.00 124.43 2nnz h PRO 92 Ca -0.14 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.55 2nnz h PRO 92 Cb 0.57 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.28 2nnz h PRO 92 CO 0.18 0.00 -1.20 -0.89 -0.21 0.00 0.00 178.00 175.88 2nnz n ILE 93 N -3.28 0.36 0.00 4.15 -0.00 -1.26 -5.01 119.36 114.31 2nnz n ILE 93 Ca 0.12 -3.91 0.00 0.00 -0.00 0.00 0.00 62.75 58.96 2nnz n ILE 93 Cb 1.02 0.15 0.00 0.00 -0.00 0.00 0.00 39.64 40.81 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 0.13 0.00 -3.74 4.38 7.64 -0.56 -4.31 113.62 117.16 2nnz n SER 94 Ca 0.18 0.56 -0.31 0.00 1.01 0.00 0.00 58.87 60.31 2nnz n SER 94 Cb 0.73 -0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.90 2nnz n SER 94 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nnz n ASP 95 N -1.01 -4.53 -0.20 6.43 -0.08 -1.26 -0.10 116.55 115.80 2nnz n ASP 95 Ca 0.00 -1.03 -0.03 0.00 -1.51 0.00 0.00 54.79 52.23 2nnz n ASP 95 Cb 0.00 -3.26 -0.01 0.00 2.34 0.00 0.00 41.12 40.19 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2nnz n ASP 96 N -2.69 -5.61 -3.30 1.67 8.00 -1.26 -4.89 116.55 108.47 2nnz n ASP 96 Ca -0.13 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.30 2nnz n ASP 96 Cb 0.60 -3.34 -0.04 0.00 -0.02 0.00 0.00 41.12 38.32 2nnz n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2nnz s LYS 97 N -2.03 1.90 -0.09 -1.24 -0.14 0.85 -5.17 119.74 113.82 2nnz s LYS 97 Ca 0.00 -1.70 0.03 0.00 -1.36 0.00 0.00 55.97 52.95 2nnz s LYS 97 Cb 0.00 0.46 0.01 0.00 -1.68 0.00 0.00 37.83 36.61 2nnz s LYS 97 CO 0.00 -0.79 -0.19 0.42 -0.76 0.00 0.00 175.35 174.03 2nnz s ILE 98 N -3.09 1.68 -0.31 2.17 1.01 -1.25 -3.99 121.20 117.43 2nnz s ILE 98 Ca 0.29 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2nnz s ILE 98 Cb -0.01 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 41.08 2nnz s ILE 98 CO 0.19 0.48 0.12 -0.13 0.00 0.00 0.00 174.94 175.60 2nnz s ARG 99 N 0.56 0.46 0.32 2.79 0.52 -1.26 -4.82 118.95 117.52 2nnz s ARG 99 Ca -0.15 -0.84 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2nnz s ARG 99 Cb -0.17 -1.55 0.55 0.00 0.52 0.00 0.00 34.95 34.31 2nnz s ARG 99 CO 0.05 -1.02 1.75 -1.00 0.02 0.00 0.00 175.30 175.10 2nnz h PRO 100 N 8.16 0.17 0.00 3.54 0.13 -1.97 -3.38 132.00 138.64 2nnz h PRO 100 Ca -0.15 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2nnz h PRO 100 Cb 1.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2nnz h PRO 100 CO 0.45 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 2nnz n ALA 101 N -2.47 0.00 0.54 -0.56 0.00 -1.26 -4.92 120.51 111.84 2nnz n ALA 101 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2nnz n ALA 101 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.07 0.90 -2.71 0.00 7.64 -1.26 -4.72 113.62 113.54 2nnz n SER 102 Ca 0.00 -0.95 -0.06 0.00 1.01 0.00 0.00 58.87 58.87 2nnz n SER 102 Cb 0.00 0.77 0.06 0.00 -1.01 0.00 0.00 64.21 64.03 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 -0.81 -2.54 -2.37 -0.43 0.00 -1.26 -4.63 120.51 108.47 2nnz n ALA 103 Ca 0.03 -0.81 -0.31 0.00 0.00 0.00 0.00 53.44 52.35 2nnz n ALA 103 Cb 0.21 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.22 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 0.47 2.37 0.41 0.00 -7.23 0.20 -3.59 120.40 113.03 2nnz s VAL 104 Ca 0.29 -1.13 -0.18 0.00 -1.81 0.00 0.00 61.98 59.15 2nnz s VAL 104 Cb 0.20 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 2nnz s VAL 104 CO -0.16 0.49 0.88 0.20 -0.31 0.00 0.00 175.10 176.20 2nnz s ASN 105 N -0.92 6.82 -0.91 4.85 0.01 -0.52 0.92 114.94 125.19 2nnz s ASN 105 Ca 0.11 1.51 -0.22 0.00 -0.71 0.00 0.00 52.86 53.55 2nnz s ASN 105 Cb -0.10 -2.47 0.07 0.00 0.41 0.00 0.00 41.25 39.16 2nnz s ASN 105 CO 0.01 -0.35 1.28 -0.69 -1.51 0.00 0.00 177.10 175.84 2nnz s VAL 106 N -2.20 4.16 -1.03 1.60 1.01 -1.26 -0.42 120.40 122.26 2nnz s VAL 106 Ca 0.58 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2nnz s VAL 106 Cb -0.10 -4.92 0.00 0.00 0.00 0.00 0.00 36.38 31.36 2nnz s VAL 106 CO 0.18 -1.76 0.49 0.00 0.00 0.00 0.00 175.10 174.02 2nnz n ILE 107 N 6.32 0.00 0.00 2.22 0.00 -0.84 -4.70 119.36 122.36 2nnz n ILE 107 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.97 2nnz n ILE 107 Cb 0.50 -0.46 0.00 0.00 0.00 0.00 0.00 39.64 39.67 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 0.03 0.21 3.65 4.50 0.00 -1.16 -4.16 105.19 108.26 2nnz n GLY 108 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2nnz n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnz s ARG 109 N 0.00 1.56 -0.35 1.61 0.52 -1.24 0.08 118.95 121.13 2nnz s ARG 109 Ca 0.00 -1.01 -0.18 0.00 -0.52 0.00 0.00 55.73 54.02 2nnz s ARG 109 Cb 0.00 0.53 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 2nnz s ARG 109 CO 0.00 -0.68 0.49 0.42 0.02 0.00 0.00 175.30 175.56 2nnz s ILE 110 N -3.93 5.03 0.00 1.52 1.09 -1.21 -1.70 121.20 122.01 2nnz s ILE 110 Ca 0.14 0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.97 2nnz s ILE 110 Cb -0.02 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 2nnz s ILE 110 CO 0.04 -0.21 0.62 1.33 -0.10 0.00 0.00 174.94 176.62 2nnz n VAL 111 N 5.41 0.00 -1.99 2.92 0.24 -1.20 -3.60 118.33 120.11 2nnz n VAL 111 Ca -0.05 1.12 -0.39 0.00 -2.04 0.00 0.00 64.34 62.97 2nnz n VAL 111 Cb 0.49 -1.97 -0.03 0.00 -1.47 0.00 0.00 33.84 30.86 2nnz n VAL 111 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2nnz n ASN 112 N -1.04 3.78 -3.42 -1.34 0.23 -1.26 -4.84 115.26 107.37 2nnz n ASN 112 Ca 0.00 -2.80 -0.34 0.00 -0.53 0.00 0.00 54.58 50.91 2nnz n ASN 112 Cb 0.00 -1.61 -0.03 0.00 -2.08 0.00 0.00 39.78 36.06 2nnz n ASN 112 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2nnz n SER 113 N 9.19 4.36 -1.43 0.53 3.41 -1.24 -3.95 113.62 124.49 2nnz n SER 113 Ca 0.49 -2.54 -0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2nnz n SER 113 Cb 0.43 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.15 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2nnz n MET 114 N 5.37 0.13 0.00 4.33 0.00 -1.26 -4.86 117.12 120.84 2nnz n MET 114 Ca 0.51 -1.71 0.00 0.00 0.00 0.00 0.00 57.70 56.50 2nnz n MET 114 Cb 0.27 0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.59 2nnz n MET 114 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2nnz n GLU 115 N 0.21 1.88 -2.29 2.12 4.07 -1.25 -5.01 120.64 120.37 2nnz n GLU 115 Ca -0.06 -1.21 -0.02 0.00 -0.06 0.00 0.00 57.16 55.80 2nnz n GLU 115 Cb 0.97 -0.99 -0.01 0.00 -0.06 0.00 0.00 31.44 31.35 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nnz n GLY 116 N -0.36 -0.01 0.49 8.31 0.00 -1.26 -4.65 105.19 107.71 2nnz n GLY 116 Ca 0.00 0.01 0.38 0.00 0.00 0.00 0.00 46.02 46.41 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 0.50 0.22 -1.15 0.99 6.46 -1.95 0.20 115.31 120.59 2nnz h LEU 117 Ca -0.04 0.12 0.23 0.00 -0.12 0.00 0.00 57.88 58.06 2nnz h LEU 117 Cb 0.09 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2nnz h LEU 117 CO 0.05 -0.15 1.03 0.07 -0.62 0.00 0.00 178.44 178.82 2nnz h LYS 118 N 0.09 0.00 -1.16 1.25 5.09 -1.82 0.35 116.57 120.37 2nnz h LYS 118 Ca 0.81 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 61.34 2nnz h LYS 118 Cb 2.62 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 34.84 2nnz h LYS 118 CO -0.36 0.00 0.26 0.41 -2.09 0.00 0.00 179.45 177.67 2nnz n GLY 119 N -1.64 3.13 3.81 0.07 0.00 0.70 -4.60 105.19 106.65 2nnz n GLY 119 Ca 0.17 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.35 3.89 0.38 1.61 -7.23 0.12 -5.02 120.40 112.81 2nnz s VAL 120 Ca 0.22 0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 61.04 2nnz s VAL 120 Cb 0.18 -3.43 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 2nnz s VAL 120 CO 0.03 -0.52 1.10 0.00 -0.31 0.00 0.00 175.10 175.40 2nnz s ALA 121 N -2.46 3.15 -0.18 1.32 0.00 -1.26 -4.92 121.76 117.41 2nnz s ALA 121 Ca 0.63 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 2nnz s ALA 121 Cb -0.15 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2nnz s ALA 121 CO 0.36 -0.32 2.14 -0.40 0.00 0.00 0.00 175.76 177.54 2nnz n ASP 122 N 0.15 3.27 -1.72 0.00 5.75 -1.26 -4.20 116.55 118.53 2nnz n ASP 122 Ca 0.04 0.44 -0.01 0.00 -0.01 0.00 0.00 54.79 55.25 2nnz n ASP 122 Cb 0.48 -1.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 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 5.53 -3.80 3.46 6.12 0.00 -1.26 -4.98 105.19 110.27 2nnz n GLY 123 Ca 0.29 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.12 1.03 1.03 1.61 -1.05 -1.23 -5.02 118.70 113.95 2nnz s GLU 124 Ca -0.06 0.07 -0.17 0.00 -0.15 0.00 0.00 54.97 54.66 2nnz s GLU 124 Cb 0.00 0.48 0.03 0.00 -0.44 0.00 0.00 34.13 34.20 2nnz s GLU 124 CO 0.17 -0.34 -0.02 0.45 0.95 0.00 0.00 175.26 176.48 2nnz n SER 125 N 0.78 -2.67 -3.65 0.83 2.88 -1.26 -1.86 113.62 108.67 2nnz n SER 125 Ca -0.19 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.39 2nnz n SER 125 Cb 0.58 -1.01 -0.08 0.00 -0.75 0.00 0.00 64.21 62.95 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 -2.26 -0.10 -0.25 2.46 1.01 0.99 -4.33 120.40 117.92 2nnz s VAL 126 Ca 0.53 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2nnz s VAL 126 Cb -0.15 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2nnz s VAL 126 CO 0.68 0.01 -0.03 0.68 0.00 0.00 0.00 175.10 176.45 2nnz s VAL 127 N 1.71 1.45 -0.06 2.92 -7.23 -1.25 0.12 120.40 118.06 2nnz s VAL 127 Ca -0.09 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 2nnz s VAL 127 Cb -0.06 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2nnz s VAL 127 CO -0.18 -0.20 0.82 -0.69 -0.31 0.00 0.00 175.10 174.54 2nnz s VAL 128 N 1.41 4.96 -0.19 1.32 1.01 -0.80 -3.75 120.40 124.35 2nnz s VAL 128 Ca -0.03 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 2nnz s VAL 128 Cb -0.19 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2nnz s VAL 128 CO -0.08 0.18 0.47 -1.83 0.00 0.00 0.00 175.10 173.84 2nnz s GLU 129 N 1.12 0.45 -0.96 2.72 -1.05 -0.62 -1.20 118.70 119.16 2nnz s GLU 129 Ca 0.42 0.89 -0.24 0.00 -0.15 0.00 0.00 54.97 55.89 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 1.70 0.50 0.95 0.00 0.00 175.26 178.45 2nnz s ARG 130 N 1.50 3.07 0.00 -4.83 3.00 -1.26 0.11 118.95 120.53 2nnz s ARG 130 Ca -0.09 -0.70 0.00 0.00 -1.00 0.00 0.00 55.73 53.93 2nnz s ARG 130 Cb -0.08 -5.21 0.00 0.00 0.00 0.00 0.00 34.95 29.66 2nnz s ARG 130 CO -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 175.30 172.35