#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 -2.17 1.88 3.03 0.00 -1.26 -4.54 105.19 102.13 2nnz n GLY 2 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2nnz n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nnz n GLU 3 N 0.00 4.86 -1.54 1.61 1.02 -1.26 -4.90 120.64 120.43 2nnz n GLU 3 Ca 0.00 -3.13 -0.19 0.00 -0.02 0.00 0.00 57.16 53.82 2nnz n GLU 3 Cb 0.00 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.08 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 0.64 -1.43 0.00 3.49 3.00 -1.26 -4.81 116.66 116.28 2nnz n ARG 4 Ca 0.28 1.12 0.00 0.00 -0.01 0.00 0.00 57.85 59.24 2nnz n ARG 4 Cb 1.19 -5.48 0.00 0.00 0.00 0.00 0.00 32.46 28.17 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 -0.33 -1.82 2.93 -0.13 0.00 -1.26 -4.85 105.19 99.73 2nnz n GLY 5 Ca -0.19 1.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.76 2nnz n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnz s VAL 6 N 0.00 -0.59 0.00 1.61 0.11 -1.26 -4.71 120.40 115.56 2nnz s VAL 6 Ca 0.00 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 2nnz s VAL 6 Cb 0.00 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2nnz s VAL 6 CO 0.00 -0.35 0.00 1.21 -3.33 0.00 0.00 175.10 172.63 2nnz n GLU 7 N 4.52 0.00 -4.73 1.54 4.07 -0.48 -4.94 120.64 120.62 2nnz n GLU 7 Ca 0.09 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.94 2nnz n GLU 7 Cb 0.49 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.73 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 2nnz s MET 8 N 2.19 1.42 0.23 5.31 0.00 -1.26 -4.90 119.30 122.30 2nnz s MET 8 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 55.69 54.67 2nnz s MET 8 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 34.83 33.28 2nnz s MET 8 CO 0.00 0.38 0.71 -0.98 0.00 0.00 0.00 175.02 175.14 2nnz s ARG 9 N -0.91 4.20 0.22 4.11 1.04 -1.26 -3.84 118.95 122.51 2nnz s ARG 9 Ca 0.07 0.81 0.10 0.00 -1.04 0.00 0.00 55.73 55.67 2nnz s ARG 9 Cb -0.08 -2.82 -0.04 0.00 -2.04 0.00 0.00 34.95 29.97 2nnz s ARG 9 CO 0.01 0.37 -0.12 -0.48 -0.04 0.00 0.00 175.30 175.03 2nnz s LEU 10 N -2.12 2.86 -0.07 -1.89 2.34 -0.39 -4.25 118.68 115.15 2nnz s LEU 10 Ca 0.44 -0.73 -0.03 0.00 0.06 0.00 0.00 54.13 53.88 2nnz s LEU 10 Cb -0.16 -1.48 -0.04 0.00 -0.56 0.00 0.00 46.19 43.96 2nnz s LEU 10 CO 0.20 0.07 0.06 -0.60 -1.06 0.00 0.00 176.35 175.02 2nnz s ARG 11 N -3.12 3.11 -0.28 1.48 3.00 0.29 -2.87 118.95 120.57 2nnz s ARG 11 Ca 0.27 -0.37 -0.03 0.00 -1.00 0.00 0.00 55.73 54.60 2nnz s ARG 11 Cb -0.07 -2.91 0.11 0.00 0.00 0.00 0.00 34.95 32.08 2nnz s ARG 11 CO 0.15 0.70 0.17 0.42 0.00 0.00 0.00 175.30 176.74 2nnz s ILE 12 N -1.01 -0.15 0.18 4.11 1.01 -1.19 -1.44 121.20 122.71 2nnz s ILE 12 Ca 0.17 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2nnz s ILE 12 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2nnz s ILE 12 CO 0.06 -0.63 0.25 0.00 0.00 0.00 0.00 174.94 174.62 2nnz s ARG 13 N 2.17 3.25 -0.01 2.79 1.70 -1.25 -3.39 118.95 124.20 2nnz s ARG 13 Ca 0.09 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 54.64 2nnz s ARG 13 Cb -0.16 -2.83 -0.00 0.00 -0.57 0.00 0.00 34.95 31.39 2nnz s ARG 13 CO -0.34 0.49 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.23 2nnz s PHE 14 N -1.81 0.81 0.57 5.89 0.40 0.41 -3.71 117.98 120.54 2nnz s PHE 14 Ca 0.33 -0.17 0.41 0.00 -0.60 0.00 0.00 56.93 56.91 2nnz s PHE 14 Cb -0.10 -0.54 1.52 0.00 0.51 0.00 0.00 43.02 44.41 2nnz s PHE 14 CO 0.27 -0.04 1.61 0.93 0.70 0.00 0.00 175.22 178.69 2nnz h GLU 15 N 6.09 0.00 0.00 0.44 3.07 -1.95 0.53 114.58 122.76 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 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.49 0.00 -0.24 -1.13 -1.40 0.00 0.00 179.01 176.73 2nnz n SER 16 N -3.86 1.83 -3.61 1.42 3.41 -1.26 -5.06 113.62 106.50 2nnz n SER 16 Ca 0.33 -3.10 -0.05 0.00 -0.26 0.00 0.00 58.87 55.78 2nnz n SER 16 Cb 1.64 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz s ALA 17 N -2.47 -2.04 -0.00 7.33 0.00 0.18 -4.96 121.76 119.80 2nnz s ALA 17 Ca 0.30 1.76 0.03 0.00 0.00 0.00 0.00 51.96 54.04 2nnz s ALA 17 Cb 0.27 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2nnz s ALA 17 CO -0.01 -0.28 -0.08 -1.83 0.00 0.00 0.00 175.76 173.55 2nnz s GLU 18 N -1.12 0.67 -0.12 0.00 1.03 -1.26 0.15 118.70 118.06 2nnz s GLU 18 Ca 0.05 -0.33 -0.30 0.00 0.03 0.00 0.00 54.97 54.41 2nnz s GLU 18 Cb -0.01 -0.64 0.10 0.00 -0.80 0.00 0.00 34.13 32.78 2nnz s GLU 18 CO -0.04 0.17 0.85 0.00 -1.33 0.00 0.00 175.26 174.91 2nnz s GLU 20 N -1.06 1.93 -0.12 0.00 2.02 -1.24 -3.16 118.70 117.07 2nnz s GLU 20 Ca -0.06 -1.48 -0.13 0.00 0.02 0.00 0.00 54.97 53.32 2nnz s GLU 20 Cb -0.01 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.25 2nnz s GLU 20 CO 0.05 0.38 0.36 0.54 0.02 0.00 0.00 175.26 176.62 2nnz s VAL 21 N -2.06 0.01 0.53 2.63 0.11 -1.14 -3.85 120.40 116.62 2nnz s VAL 21 Ca 0.27 -0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.34 2nnz s VAL 21 Cb -0.07 -0.53 0.09 0.00 -1.53 0.00 0.00 36.38 34.34 2nnz s VAL 21 CO 0.15 -0.03 0.73 -0.62 -3.33 0.00 0.00 175.10 172.00 2nnz n GLU 22 N 2.70 0.54 -3.72 1.54 1.02 -0.91 -1.26 120.64 120.56 2nnz n GLU 22 Ca -0.14 -2.66 -0.14 0.00 -0.02 0.00 0.00 57.16 54.20 2nnz n GLU 22 Cb 0.57 -0.27 -0.09 0.00 -0.02 0.00 0.00 31.44 31.63 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 0.43 0.07 -4.62 2.96 -1.25 -3.60 118.68 112.68 2nnz s LEU 23 Ca 0.54 0.58 0.10 0.00 -0.22 0.00 0.00 54.13 55.12 2nnz s LEU 23 Cb -0.04 1.50 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 2nnz s LEU 23 CO 0.34 -0.30 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.51 2nnz s TYR 24 N -0.45 2.24 -0.87 5.38 2.02 -1.26 -1.38 117.35 123.03 2nnz s TYR 24 Ca -0.06 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2nnz s TYR 24 Cb -0.03 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 2nnz s TYR 24 CO 0.03 0.19 0.88 0.39 -1.57 0.00 0.00 175.55 175.47 2nnz n GLU 25 N 1.48 0.00 -0.25 -0.62 1.02 -1.26 -2.98 120.64 118.03 2nnz n GLU 25 Ca -0.17 0.39 0.32 0.00 -0.02 0.00 0.00 57.16 57.68 2nnz n GLU 25 Cb 0.52 -1.58 0.67 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.92 0.64 114.58 120.90 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 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2nnz h GLU 26 CO 0.00 0.00 -0.02 2.35 0.07 0.00 0.00 179.01 181.41 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.83 -3.43 115.95 119.76 2nnz h TRP 27 Ca 0.51 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.51 2nnz h TRP 27 Cb 2.38 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.44 2nnz h TRP 27 CO 0.00 0.37 0.00 0.00 -2.79 0.00 0.00 178.44 176.02 2nnz n ALA 28 N -2.74 0.00 -0.38 2.65 0.00 0.22 -4.64 120.51 115.62 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 0.18 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.21 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 0.23 0.29 0.00 0.10 -1.94 -0.04 132.00 130.64 2nnz h PRO 29 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 66.07 2nnz h PRO 29 Cb 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 31.00 31.05 2nnz h PRO 29 CO 0.00 0.15 -0.14 0.93 0.10 0.00 0.00 178.00 179.04 2nnz h GLU 30 N 0.24 -0.37 -0.42 1.05 4.39 -1.96 -2.74 114.58 114.76 2nnz h GLU 30 Ca 0.71 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.43 2nnz h GLU 30 Cb 2.03 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.74 2nnz h GLU 30 CO -0.36 -0.25 0.26 1.79 -1.16 0.00 0.00 179.01 179.29 2nnz h THR 31 N -0.39 1.13 -1.06 1.13 1.35 -1.40 -1.92 112.91 111.75 2nnz h THR 31 Ca -0.04 -0.29 0.31 0.00 -0.55 0.00 0.00 66.41 65.84 2nnz h THR 31 Cb 0.30 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 2nnz h THR 31 CO 0.07 0.13 0.79 0.58 -0.25 0.00 0.00 175.52 176.84 2nnz h VAL 32 N 0.55 0.42 -0.87 6.82 2.07 -1.21 0.19 116.25 124.22 2nnz h VAL 32 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 2nnz h VAL 32 Cb -0.01 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2nnz h VAL 32 CO -0.03 0.00 0.57 -0.09 0.02 0.00 0.00 177.57 178.05 2nnz h ARG 33 N 0.00 1.11 -0.15 1.57 2.43 -1.04 -2.29 114.38 116.01 2nnz h ARG 33 Ca 0.50 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2nnz h ARG 33 Cb 2.08 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 2nnz h ARG 33 CO -0.01 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 2nnz h ALA 34 N 1.47 0.20 -0.19 2.80 0.00 -0.74 -0.76 119.26 122.03 2nnz h ALA 34 Ca 0.33 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2nnz h ALA 34 Cb -0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2nnz h ALA 34 CO -0.08 -0.11 -0.16 0.82 0.00 0.00 0.00 179.25 179.72 2nnz h ILE 35 N 0.01 0.56 0.00 0.00 1.08 -1.50 0.96 117.51 118.62 2nnz h ILE 35 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2nnz h ILE 35 Cb 0.36 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2nnz h ILE 35 CO 0.01 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.37 2nnz h ALA 36 N 0.94 1.70 0.00 1.87 0.00 -1.37 -0.59 119.26 121.81 2nnz h ALA 36 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2nnz h ALA 36 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2nnz h ALA 36 CO -0.29 0.12 -0.29 0.22 0.00 0.00 0.00 179.25 179.01 2nnz h ASP 37 N 0.00 0.00 -1.88 0.00 3.58 0.67 -3.24 116.42 115.56 2nnz h ASP 37 Ca -0.00 0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.71 2nnz h ASP 37 Cb 0.19 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 40.99 2nnz h ASP 37 CO 0.01 0.29 0.99 0.00 -2.88 0.00 0.00 179.24 177.66 2nnz n ALA 38 N -2.26 6.49 -1.00 -0.78 0.00 -0.23 -5.00 120.51 117.73 2nnz n ALA 38 Ca -0.00 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.43 2nnz n ALA 38 Cb 0.46 -2.05 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 -0.27 0.00 -2.02 0.00 4.77 -1.22 -4.57 117.00 113.69 2nnz n LEU 39 Ca 0.53 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.26 2nnz n LEU 39 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2nnz n LEU 39 CO 0.49 -0.45 0.88 -2.65 -1.33 0.00 0.00 177.39 174.33 2nnz n PRO 40 N -0.03 0.00 -3.75 3.23 -0.02 -0.18 -4.48 135.00 129.77 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 -0.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.69 2nnz n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nnz s ILE 41 N 3.24 0.05 0.07 4.25 1.01 -0.49 -4.95 121.20 124.39 2nnz s ILE 41 Ca 0.58 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 2nnz s ILE 41 Cb -0.67 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 2nnz s ILE 41 CO 0.28 -0.24 0.72 -0.54 0.00 0.00 0.00 174.94 175.16 2nnz s LYS 42 N -1.28 4.45 -0.01 2.79 1.02 -1.26 -1.95 119.74 123.50 2nnz s LYS 42 Ca -0.13 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.77 2nnz s LYS 42 Cb -0.05 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.04 0.42 0.18 -1.54 -0.92 0.00 0.00 175.35 173.53 2nnz s SER 43 N -0.51 -0.04 -0.25 2.83 1.04 0.28 -4.89 113.70 112.16 2nnz s SER 43 Ca 0.35 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 2nnz s SER 43 Cb -0.21 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 2nnz s SER 43 CO 0.22 -0.36 0.14 -0.89 0.98 0.00 0.00 173.24 173.33 2nnz s THR 44 N -1.25 5.05 0.05 2.02 2.01 -1.26 -0.28 115.64 121.98 2nnz s THR 44 Ca -0.13 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 2nnz s THR 44 Cb -0.07 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2nnz s THR 44 CO 0.02 0.32 0.92 0.00 -0.69 0.00 0.00 174.62 175.19 2nnz s ALA 45 N 1.39 3.23 -0.23 7.40 0.00 -0.71 -4.33 121.76 128.52 2nnz s ALA 45 Ca 0.07 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 2nnz s ALA 45 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2nnz s ALA 45 CO 0.07 -0.10 0.08 -0.80 0.00 0.00 0.00 175.76 175.01 2nnz s ASN 46 N 0.45 5.45 0.07 0.00 0.01 -1.04 -3.47 114.94 116.40 2nnz s ASN 46 Ca 0.47 -0.07 -0.22 0.00 -0.71 0.00 0.00 52.86 52.33 2nnz s ASN 46 Cb -0.22 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 2nnz s ASN 46 CO 0.27 0.04 0.67 -0.13 -1.51 0.00 0.00 177.10 176.45 2nnz s ARG 47 N 1.16 4.39 -0.03 -0.60 1.81 -1.26 -2.97 118.95 121.44 2nnz s ARG 47 Ca 0.05 0.91 -0.14 0.00 -1.72 0.00 0.00 55.73 54.82 2nnz s ARG 47 Cb -0.14 -3.30 0.02 0.00 -0.45 0.00 0.00 34.95 31.08 2nnz s ARG 47 CO 0.04 0.47 0.31 -0.46 -0.68 0.00 0.00 175.30 174.98 2nnz s TRP 48 N -0.62 -0.21 -0.81 -0.53 -0.11 -0.15 -4.97 118.94 111.55 2nnz s TRP 48 Ca 0.33 0.36 -0.11 0.00 1.22 0.00 0.00 56.10 57.91 2nnz s TRP 48 Cb -0.20 0.10 -0.26 0.00 -1.50 0.00 0.00 33.47 31.61 2nnz s TRP 48 CO 0.21 -0.36 1.82 0.41 -4.62 0.00 0.00 176.95 174.41 2nnz n GLY 49 N 1.51 -0.40 4.25 5.86 0.00 -1.26 -0.75 105.19 114.40 2nnz n GLY 49 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 5.19 0.00 -4.83 1.61 2.03 -1.26 -4.12 116.55 115.17 2nnz n ASP 50 Ca 0.55 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.53 2nnz n ASP 50 Cb 0.10 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.43 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 4.16 -0.19 -0.67 2.02 0.07 -4.45 118.70 119.63 2nnz s GLU 51 Ca 0.00 1.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.99 2nnz s GLU 51 Cb 0.00 -2.19 0.10 0.00 0.10 0.00 0.00 34.13 32.13 2nnz s GLU 51 CO 0.00 -0.06 0.34 0.42 0.02 0.00 0.00 175.26 175.98 2nnz s ILE 52 N -2.25 -0.54 -0.04 -1.63 1.09 -1.26 -0.98 121.20 115.60 2nnz s ILE 52 Ca 0.61 0.10 0.05 0.00 -1.10 0.00 0.00 60.65 60.31 2nnz s ILE 52 Cb -0.09 -0.65 -0.01 0.00 -1.06 0.00 0.00 42.46 40.65 2nnz s ILE 52 CO 0.17 -0.00 -0.21 -0.72 -0.10 0.00 0.00 174.94 174.08 2nnz s TYR 53 N 2.51 2.00 0.02 3.97 -0.85 -1.16 -3.12 117.35 120.73 2nnz s TYR 53 Ca 0.04 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.07 2nnz s TYR 53 Cb -0.13 -1.32 -0.01 0.00 0.38 0.00 0.00 41.96 40.87 2nnz s TYR 53 CO -0.12 -0.15 -0.06 -0.59 -1.52 0.00 0.00 175.55 173.10 2nnz s PHE 54 N -0.16 0.52 0.11 -3.49 -0.12 -1.19 -2.50 117.98 111.14 2nnz s PHE 54 Ca -0.01 -0.31 -0.08 0.00 -0.05 0.00 0.00 56.93 56.48 2nnz s PHE 54 Cb -0.11 -0.33 -0.06 0.00 -0.63 0.00 0.00 43.02 41.89 2nnz s PHE 54 CO 0.02 -0.05 0.40 0.99 -0.05 0.00 0.00 175.22 176.53 2nnz s THR 55 N -0.79 5.10 0.00 -4.49 2.01 -1.26 -3.66 115.64 112.55 2nnz s THR 55 Ca -0.05 0.34 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 0.00 0.20 0.80 0.35 -0.69 0.00 0.00 174.62 175.28 2nnz n THR 56 N 0.62 0.63 -0.24 -0.82 -2.24 -1.26 -4.38 114.28 106.59 2nnz n THR 56 Ca -0.06 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2nnz n THR 56 Cb 0.52 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2nnz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnz n GLN 57 N -0.31 0.00 -2.91 -0.78 6.02 -1.26 -5.00 117.38 113.14 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.20 -1.58 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 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 -3.13 4.72 -0.61 5.09 0.11 -1.26 -5.00 120.40 120.32 2nnz s VAL 58 Ca 0.00 1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 60.03 2nnz s VAL 58 Cb 0.00 -4.21 0.16 0.00 -1.53 0.00 0.00 36.38 30.79 2nnz s VAL 58 CO 0.00 -0.38 0.52 0.00 -3.33 0.00 0.00 175.10 171.91 2nnz s ALA 59 N 3.13 3.68 -0.27 1.54 0.00 -1.26 -4.89 121.76 123.68 2nnz s ALA 59 Ca 0.33 -2.85 0.02 0.00 0.00 0.00 0.00 51.96 49.46 2nnz s ALA 59 Cb -0.13 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2nnz s ALA 59 CO 0.15 -2.07 -0.03 0.54 0.00 0.00 0.00 175.76 174.36 2nnz s VAL 60 N 0.92 1.77 -0.06 0.00 0.11 -1.26 -5.11 120.40 116.77 2nnz s VAL 60 Ca 0.10 -1.59 0.04 0.00 -2.93 0.00 0.00 61.98 57.60 2nnz s VAL 60 Cb -0.22 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 2nnz s VAL 60 CO -0.02 -0.26 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.70 2nnz s GLU 61 N 1.24 1.97 0.15 1.54 2.02 -1.26 -4.81 118.70 119.56 2nnz s GLU 61 Ca -0.01 -0.61 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 2nnz s GLU 61 Cb -0.19 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 2nnz s GLU 61 CO -0.08 0.19 0.27 0.21 0.02 0.00 0.00 175.26 175.87 2nnz s LYS 62 N 0.21 1.12 -1.01 1.61 2.20 -1.26 -5.10 119.74 117.51 2nnz s LYS 62 Ca -0.08 -1.14 -0.10 0.00 -0.36 0.00 0.00 55.97 54.29 2nnz s LYS 62 Cb -0.13 0.37 0.26 0.00 -1.51 0.00 0.00 37.83 36.82 2nnz s LYS 62 CO 0.04 -0.40 0.98 -1.21 -0.36 0.00 0.00 175.35 174.40 2nnz s GLU 63 N -3.95 3.96 -0.13 4.03 8.01 -1.26 -4.97 118.70 124.39 2nnz s GLU 63 Ca 0.15 -2.98 -0.31 0.00 0.01 0.00 0.00 54.97 51.85 2nnz s GLU 63 Cb 0.03 -4.48 0.13 0.00 -4.31 0.00 0.00 34.13 25.50 2nnz s GLU 63 CO -0.02 -1.26 1.03 -2.00 0.01 0.00 0.00 175.26 173.03 2nnz s GLU 64 N -0.81 0.57 0.00 1.61 2.12 -1.26 -5.04 118.70 115.89 2nnz s GLU 64 Ca 0.26 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.55 2nnz s GLU 64 Cb -0.10 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2nnz s GLU 64 CO -0.08 -0.21 0.00 -1.71 -0.54 0.00 0.00 175.26 172.71 2nnz n ASN 65 N 0.28 0.00 -0.86 -1.70 2.85 -1.26 -4.88 115.26 109.69 2nnz n ASN 65 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2nnz n ASN 65 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 2nnz n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2nnz n SER 66 N 3.23 0.00 -4.94 1.20 2.88 -1.26 -4.88 113.62 109.84 2nnz n SER 66 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 2nnz n SER 66 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2nnz s LYS 67 N 0.00 3.07 0.00 -1.46 0.00 0.31 -4.57 119.74 117.08 2nnz s LYS 67 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.93 2nnz s LYS 67 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 37.83 35.09 2nnz s LYS 67 CO 0.00 0.15 0.16 -0.40 0.00 0.00 0.00 175.35 175.26 2nnz n ASP 68 N -1.51 0.32 -4.07 0.03 5.68 -1.26 -0.10 116.55 115.63 2nnz n ASP 68 Ca -0.02 -0.64 -0.19 0.00 -0.50 0.00 0.00 54.79 53.43 2nnz n ASP 68 Cb 0.58 0.40 -0.14 0.00 -1.14 0.00 0.00 41.12 40.82 2nnz n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2nnz s VAL 69 N -0.40 0.87 0.11 2.12 1.01 -1.26 -4.48 120.40 118.37 2nnz s VAL 69 Ca 0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 2nnz s VAL 69 Cb 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.69 2nnz s VAL 69 CO 0.00 0.14 0.56 0.68 0.00 0.00 0.00 175.10 176.48 2nnz s VAL 70 N -0.45 0.02 0.29 2.92 -7.23 -1.26 -5.10 120.40 109.58 2nnz s VAL 70 Ca 0.03 -0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 2nnz s VAL 70 Cb -0.05 -1.02 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 2nnz s VAL 70 CO 0.00 -0.08 0.62 -1.61 -0.31 0.00 0.00 175.10 173.72 2nnz s GLU 71 N -3.25 3.78 0.01 4.82 2.02 -1.26 -4.96 118.70 119.87 2nnz s GLU 71 Ca -0.01 0.30 -0.37 0.00 0.02 0.00 0.00 54.97 54.91 2nnz s GLU 71 Cb -0.00 -2.57 -0.15 0.00 0.10 0.00 0.00 34.13 31.51 2nnz s GLU 71 CO -0.08 0.20 1.52 -0.11 0.02 0.00 0.00 175.26 176.81 2nnz n LEU 72 N -0.59 2.28 0.00 1.80 7.94 -1.26 -2.47 117.00 124.70 2nnz n LEU 72 Ca 0.01 1.09 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 0.46 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.68 2nnz n GLY 73 N 3.23 1.66 3.75 -3.96 0.00 -1.26 -5.09 105.19 103.51 2nnz n GLY 73 Ca 0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.28 4.06 0.15 1.61 -4.77 -1.03 -3.14 116.67 113.26 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 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 2nnz s ASP 74 CO 0.00 -2.30 -0.22 -0.69 0.70 0.00 0.00 175.17 172.66 2nnz s VAL 75 N -2.91 2.04 -0.06 2.11 1.01 0.16 -4.52 120.40 118.22 2nnz s VAL 75 Ca 0.62 -1.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 2nnz s VAL 75 Cb -0.18 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2nnz s VAL 75 CO 0.56 -0.11 0.38 0.00 0.00 0.00 0.00 175.10 175.93 2nnz s ALA 76 N -1.50 -0.95 -0.26 5.51 0.00 -1.25 -2.23 121.76 121.09 2nnz s ALA 76 Ca 0.14 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.64 2nnz s ALA 76 Cb -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2nnz s ALA 76 CO 0.07 -0.25 0.28 -0.47 0.00 0.00 0.00 175.76 175.38 2nnz s TYR 77 N -0.87 3.27 -0.07 0.00 6.14 0.53 -2.83 117.35 123.51 2nnz s TYR 77 Ca -0.09 0.31 -0.29 0.00 0.64 0.00 0.00 57.07 57.63 2nnz s TYR 77 Cb -0.04 -2.45 -0.06 0.00 0.42 0.00 0.00 41.96 39.83 2nnz s TYR 77 CO 0.04 -0.13 1.83 -0.46 0.64 0.00 0.00 175.55 177.47 2nnz s TRP 78 N 1.69 1.65 -0.00 4.97 -0.11 0.24 -1.72 118.94 125.65 2nnz s TRP 78 Ca 0.12 0.07 -0.01 0.00 1.22 0.00 0.00 56.10 57.50 2nnz s TRP 78 Cb -0.15 -4.05 -0.01 0.00 -1.50 0.00 0.00 33.47 27.76 2nnz s TRP 78 CO 0.09 -4.32 0.56 0.82 -4.62 0.00 0.00 176.95 169.48 2nnz h ILE 79 N 5.91 0.00 -0.16 5.86 2.04 -1.80 -2.15 117.51 127.21 2nnz h ILE 79 Ca -0.42 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 2nnz h ILE 79 Cb 1.20 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2nnz h ILE 79 CO 0.96 0.00 0.40 -2.65 0.00 0.00 0.00 178.15 176.86 2nnz n PRO 80 N -2.16 0.24 0.00 2.37 -0.02 -1.26 0.33 135.00 134.51 2nnz n PRO 80 Ca -0.00 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 2nnz n PRO 80 Cb 0.01 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 30.41 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 6.10 0.75 3.70 -1.23 0.00 -1.26 -4.80 105.19 108.45 2nnz n GLY 81 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -3.89 -4.78 1.61 4.01 0.15 -4.95 118.16 110.31 2nnz n LYS 82 Ca 0.00 0.49 -0.33 0.00 -0.51 0.00 0.00 58.31 57.96 2nnz n LYS 82 Cb 0.00 -5.26 -0.13 0.00 -0.51 0.00 0.00 35.03 29.13 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 -3.11 2.73 0.28 7.82 0.00 -0.83 -4.74 121.76 123.92 2nnz s ALA 83 Ca 0.55 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 2nnz s ALA 83 Cb -0.29 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 2nnz s ALA 83 CO 0.68 0.47 0.71 0.42 0.00 0.00 0.00 175.76 178.03 2nnz s ILE 84 N -0.42 4.67 0.04 0.00 1.01 -1.24 0.79 121.20 126.04 2nnz s ILE 84 Ca 0.05 1.02 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 2nnz s ILE 84 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2nnz s ILE 84 CO 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 174.94 175.00 2nnz s LEU 86 N -2.20 3.24 -0.04 0.00 1.43 -1.18 -3.83 118.68 116.10 2nnz s LEU 86 Ca -0.04 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2nnz s LEU 86 Cb -0.00 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2nnz s LEU 86 CO -0.05 0.06 -0.00 -0.36 0.23 0.00 0.00 176.35 176.23 2nnz s PHE 87 N -1.90 0.44 0.00 0.29 0.08 -1.26 -4.01 117.98 111.62 2nnz s PHE 87 Ca 0.28 -0.05 0.15 0.00 0.12 0.00 0.00 56.93 57.44 2nnz s PHE 87 Cb -0.08 -0.53 0.25 0.00 -0.57 0.00 0.00 43.02 42.09 2nnz s PHE 87 CO 0.18 -0.18 1.09 1.19 -0.10 0.00 0.00 175.22 177.41 2nnz n PHE 88 N 4.37 0.00 -0.06 0.36 3.01 -1.26 -4.50 117.46 119.38 2nnz n PHE 88 Ca -0.21 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 57.78 2nnz n PHE 88 Cb 0.50 0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 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 0.29 0.09 2.80 1.37 0.00 -1.26 -5.03 105.19 103.45 2nnz n GLY 89 Ca -0.06 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 -2.96 1.61 0.00 -1.26 -4.90 118.16 110.65 2nnz n LYS 90 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2nnz n LYS 90 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 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 -3.27 0.00 -0.17 0.58 -2.24 -1.26 -4.46 114.28 103.46 2nnz n THR 91 Ca -0.02 -0.87 0.28 0.00 -2.27 0.00 0.00 64.05 61.18 2nnz n THR 91 Cb 0.71 0.68 0.56 0.00 -2.10 0.00 0.00 70.33 70.18 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2nnz h PRO 92 N 0.00 0.00 -1.53 -0.78 0.11 -1.84 -0.61 132.00 127.35 2nnz h PRO 92 Ca -0.20 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.47 2nnz h PRO 92 Cb 0.80 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.51 2nnz h PRO 92 CO 0.27 0.00 -1.16 -0.89 -0.21 0.00 0.00 178.00 176.01 2nnz n ILE 93 N -3.45 0.61 -0.34 4.15 -0.00 -1.26 -4.94 119.36 114.13 2nnz n ILE 93 Ca 0.21 -3.94 0.13 0.00 -0.00 0.00 0.00 62.75 59.16 2nnz n ILE 93 Cb 1.32 0.08 0.32 0.00 -0.00 0.00 0.00 39.64 41.36 2nnz n ILE 93 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2nnz h SER 94 N 2.98 0.68 -0.22 4.38 0.02 -1.26 -2.43 113.55 117.70 2nnz h SER 94 Ca 0.02 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2nnz h SER 94 Cb 1.05 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 2nnz h SER 94 CO 0.53 0.19 -0.44 -0.78 -1.14 0.00 0.00 176.83 175.19 2nnz h ASP 95 N 0.66 -1.44 0.00 3.07 1.82 -1.92 -2.06 116.42 116.56 2nnz h ASP 95 Ca 0.58 0.18 -0.50 0.00 -0.39 0.00 0.00 57.03 56.90 2nnz h ASP 95 Cb 0.97 0.57 -0.00 0.00 0.68 0.00 0.00 39.33 41.56 2nnz h ASP 95 CO -0.42 -0.36 2.49 0.47 -1.61 0.00 0.00 179.24 179.82 2nnz n ASP 96 N -4.84 7.32 -1.12 2.28 8.00 -0.92 -4.89 116.55 122.38 2nnz n ASP 96 Ca -0.04 -2.51 0.14 0.00 0.71 0.00 0.00 54.79 53.09 2nnz n ASP 96 Cb 0.29 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 39.87 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nnz n LYS 97 N 3.31 -2.52 -1.75 -1.24 4.76 -0.77 -4.54 118.16 115.40 2nnz n LYS 97 Ca 0.65 1.99 -0.39 0.00 -2.87 0.00 0.00 58.31 57.68 2nnz n LYS 97 Cb 0.42 -2.97 -0.03 0.00 -1.84 0.00 0.00 35.03 30.60 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 -3.54 3.16 -0.48 -0.18 1.01 -1.26 -4.14 121.20 115.78 2nnz s ILE 98 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2nnz s ILE 98 Cb 0.00 -3.34 0.12 0.00 0.01 0.00 0.00 42.46 39.25 2nnz s ILE 98 CO 0.00 -0.30 0.34 -0.13 0.00 0.00 0.00 174.94 174.85 2nnz s ARG 99 N 7.26 2.45 0.44 2.79 0.52 -1.26 -4.67 118.95 126.48 2nnz s ARG 99 Ca 0.88 -1.81 0.15 0.00 -0.52 0.00 0.00 55.73 54.42 2nnz s ARG 99 Cb -0.19 -3.89 0.97 0.00 0.52 0.00 0.00 34.95 32.36 2nnz s ARG 99 CO 0.27 -1.18 1.96 -1.00 0.02 0.00 0.00 175.30 175.37 2nnz h PRO 100 N 8.35 0.00 0.00 3.54 0.13 -1.92 -3.35 132.00 138.75 2nnz h PRO 100 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2nnz h PRO 100 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2nnz h PRO 100 CO 0.84 0.22 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 2nnz n ALA 101 N -2.48 0.00 0.87 -0.56 0.00 -1.26 -4.89 120.51 112.18 2nnz n ALA 101 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2nnz n ALA 101 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 2nnz n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnz n SER 102 N 0.15 1.58 -2.66 0.00 3.41 -1.26 -4.83 113.62 110.01 2nnz n SER 102 Ca 0.00 -1.29 -0.03 0.00 -0.26 0.00 0.00 58.87 57.29 2nnz n SER 102 Cb 0.00 0.62 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz s ALA 103 N -2.35 -4.78 0.01 7.33 0.00 -1.26 -4.84 121.76 115.87 2nnz s ALA 103 Ca 0.14 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.89 2nnz s ALA 103 Cb 0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 2nnz s ALA 103 CO 0.56 -2.56 -0.19 0.14 0.00 0.00 0.00 175.76 173.71 2nnz s VAL 104 N 1.03 1.48 0.41 0.00 -7.23 0.85 -3.17 120.40 113.76 2nnz s VAL 104 Ca 0.22 -0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 59.28 2nnz s VAL 104 Cb 0.14 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 2nnz s VAL 104 CO -0.11 0.29 0.85 0.20 -0.31 0.00 0.00 175.10 176.01 2nnz s ASN 105 N -0.77 6.74 -1.06 4.85 0.01 -0.70 0.11 114.94 124.12 2nnz s ASN 105 Ca 0.07 1.42 -0.20 0.00 -0.71 0.00 0.00 52.86 53.43 2nnz s ASN 105 Cb -0.08 -2.43 0.08 0.00 0.41 0.00 0.00 41.25 39.23 2nnz s ASN 105 CO 0.00 -0.36 1.42 -0.69 -1.51 0.00 0.00 177.10 175.96 2nnz s VAL 106 N -2.24 4.23 -1.39 1.60 1.01 -1.26 -0.35 120.40 122.00 2nnz s VAL 106 Ca 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2nnz s VAL 106 Cb -0.10 -5.00 0.00 0.00 0.00 0.00 0.00 36.38 31.28 2nnz s VAL 106 CO 0.22 -1.83 0.44 0.00 0.00 0.00 0.00 175.10 173.94 2nnz n ILE 107 N 6.30 0.00 0.00 2.22 0.00 -0.95 -4.73 119.36 122.21 2nnz n ILE 107 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.09 2nnz n ILE 107 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 39.64 39.87 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 0.16 0.21 3.68 4.50 0.00 -1.13 -4.20 105.19 108.42 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 1.60 -0.35 1.61 0.52 -1.24 0.36 118.95 121.45 2nnz s ARG 109 Ca 0.00 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.09 2nnz s ARG 109 Cb 0.00 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.01 2nnz s ARG 109 CO 0.00 -0.70 0.24 0.42 0.02 0.00 0.00 175.30 175.28 2nnz s ILE 110 N -3.92 5.24 0.00 1.52 1.01 -1.19 -2.13 121.20 121.73 2nnz s ILE 110 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2nnz s ILE 110 Cb -0.03 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2nnz s ILE 110 CO 0.04 -0.04 0.00 1.33 0.00 0.00 0.00 174.94 176.27 2nnz n VAL 111 N 5.10 0.00 -2.31 2.92 0.24 -1.25 -4.87 118.33 118.17 2nnz n VAL 111 Ca -0.13 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.79 2nnz n VAL 111 Cb 0.49 -0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.16 6.59 -1.55 -1.34 2.20 -1.26 -3.00 114.94 116.74 2nnz s ASN 112 Ca 0.00 2.34 0.00 0.00 -0.94 0.00 0.00 52.86 54.26 2nnz s ASN 112 Cb 0.00 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 2nnz s ASN 112 CO 0.00 -0.63 0.00 -1.20 -2.94 0.00 0.00 177.10 172.33 2nnz n SER 113 N 0.17 -5.09 -4.75 3.54 7.64 -1.26 -3.68 113.62 110.19 2nnz n SER 113 Ca 0.04 0.07 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 2nnz n SER 113 Cb 0.46 -4.16 0.05 0.00 -1.01 0.00 0.00 64.21 59.55 2nnz n SER 113 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2nnz s MET 114 N -4.61 2.78 0.31 1.43 1.75 -1.16 -3.99 119.30 115.81 2nnz s MET 114 Ca 0.00 1.63 -0.19 0.00 -1.25 0.00 0.00 55.69 55.87 2nnz s MET 114 Cb 0.00 -1.93 0.04 0.00 2.84 0.00 0.00 34.83 35.78 2nnz s MET 114 CO 0.00 -1.31 0.77 -2.00 -0.65 0.00 0.00 175.02 171.83 2nnz s GLU 115 N -3.72 1.91 -0.46 4.11 2.12 -1.26 -5.00 118.70 116.41 2nnz s GLU 115 Ca 0.72 -1.14 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 2nnz s GLU 115 Cb -0.26 0.60 0.16 0.00 0.26 0.00 0.00 34.13 34.89 2nnz s GLU 115 CO 0.38 -0.89 2.44 0.41 -0.54 0.00 0.00 175.26 177.06 2nnz n GLY 116 N -0.50 4.47 0.60 -1.50 0.00 -1.26 -4.71 105.19 102.30 2nnz n GLY 116 Ca -0.06 -1.72 0.45 0.00 0.00 0.00 0.00 46.02 44.69 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 3.30 0.08 -1.56 0.99 6.46 -1.95 0.11 115.31 122.74 2nnz h LEU 117 Ca 0.39 0.05 0.36 0.00 -0.12 0.00 0.00 57.88 58.56 2nnz h LEU 117 Cb 0.74 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.66 2nnz h LEU 117 CO 0.93 -0.06 1.14 0.07 -0.62 0.00 0.00 178.44 179.91 2nnz h LYS 118 N 0.03 0.00 -1.17 1.25 5.09 -1.84 0.32 116.57 120.25 2nnz h LYS 118 Ca 0.83 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 61.43 2nnz h LYS 118 Cb 3.11 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 35.36 2nnz h LYS 118 CO -0.14 0.00 0.18 0.41 -2.09 0.00 0.00 179.45 177.80 2nnz n GLY 119 N -1.76 2.79 3.79 0.07 0.00 0.37 -4.66 105.19 105.80 2nnz n GLY 119 Ca 0.28 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.91 3.66 0.42 1.61 -7.23 0.11 -5.02 120.40 113.04 2nnz s VAL 120 Ca 0.15 0.79 -0.23 0.00 -1.81 0.00 0.00 61.98 60.88 2nnz s VAL 120 Cb 0.12 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 2nnz s VAL 120 CO 0.02 -0.46 1.03 0.00 -0.31 0.00 0.00 175.10 175.38 2nnz s ALA 121 N -2.40 3.03 -0.28 1.32 0.00 -1.26 -4.92 121.76 117.24 2nnz s ALA 121 Ca 0.65 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 2nnz s ALA 121 Cb -0.17 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2nnz s ALA 121 CO 0.37 -0.18 2.25 -0.40 0.00 0.00 0.00 175.76 177.80 2nnz n ASP 122 N -0.35 2.95 -1.48 0.00 5.75 -1.26 -4.18 116.55 117.99 2nnz n ASP 122 Ca 0.06 0.13 -0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2nnz n ASP 122 Cb 0.51 -1.52 -0.00 0.00 -1.03 0.00 0.00 41.12 39.08 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 5.92 -3.23 3.35 6.12 0.00 -1.25 -4.97 105.19 111.14 2nnz n GLY 123 Ca 0.33 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.26 0.96 1.03 1.61 -1.05 -1.23 -5.01 118.70 113.76 2nnz s GLU 124 Ca -0.02 -0.30 -0.15 0.00 -0.15 0.00 0.00 54.97 54.35 2nnz s GLU 124 Cb 0.00 0.43 0.09 0.00 -0.44 0.00 0.00 34.13 34.21 2nnz s GLU 124 CO 0.07 -0.34 0.34 0.45 0.95 0.00 0.00 175.26 176.73 2nnz n SER 125 N 0.48 -2.02 -3.65 0.83 2.88 -1.26 -1.73 113.62 109.14 2nnz n SER 125 Ca -0.18 0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 2nnz n SER 125 Cb 0.60 -1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 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 -2.35 -0.13 -0.25 2.46 1.01 0.61 -4.32 120.40 117.43 2nnz s VAL 126 Ca 0.58 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2nnz s VAL 126 Cb -0.18 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.36 2nnz s VAL 126 CO 0.66 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.43 2nnz s VAL 127 N 1.75 1.43 -0.06 2.92 -7.23 -1.24 0.98 120.40 118.96 2nnz s VAL 127 Ca -0.09 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 2nnz s VAL 127 Cb -0.07 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2nnz s VAL 127 CO -0.18 -0.21 0.86 -0.69 -0.31 0.00 0.00 175.10 174.57 2nnz s VAL 128 N 1.42 4.93 -0.19 1.32 1.01 -0.82 -3.79 120.40 124.27 2nnz s VAL 128 Ca -0.02 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2nnz s VAL 128 Cb -0.19 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2nnz s VAL 128 CO -0.08 0.16 0.48 -1.83 0.00 0.00 0.00 175.10 173.82 2nnz s GLU 129 N 1.18 0.48 -1.03 2.72 -1.05 -0.52 -1.01 118.70 119.47 2nnz s GLU 129 Ca 0.45 0.88 -0.23 0.00 -0.15 0.00 0.00 54.97 55.92 2nnz s GLU 129 Cb -0.19 0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.55 2nnz s GLU 129 CO 0.21 -0.15 1.67 0.50 0.95 0.00 0.00 175.26 178.45 2nnz s ARG 130 N 1.37 3.23 0.00 -4.83 3.00 -1.26 0.11 118.95 120.57 2nnz s ARG 130 Ca -0.09 -0.96 0.00 0.00 -1.00 0.00 0.00 55.73 53.68 2nnz s ARG 130 Cb -0.07 -5.28 0.00 0.00 0.00 0.00 0.00 34.95 29.60 2nnz s ARG 130 CO -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 175.30 172.46