#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2i s GLY 3 N 0.00 1.60 0.64 0.23 0.00 -1.26 -4.96 107.32 103.58 2q2i s GLY 3 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 2q2i s GLY 3 CO 0.00 0.73 1.17 -0.54 0.00 0.00 0.00 173.10 174.46 2q2i s GLU 4 N -4.56 2.74 0.18 2.90 2.02 -1.26 -5.05 118.70 115.68 2q2i s GLU 4 Ca 0.67 1.66 0.05 0.00 0.02 0.00 0.00 54.97 57.37 2q2i s GLU 4 Cb -0.24 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 2q2i s GLU 4 CO 0.62 -1.35 -0.08 0.96 0.02 0.00 0.00 175.26 175.43 2q2i s ILE 5 N -1.93 1.22 0.70 -1.63 -4.36 -1.26 -5.16 121.20 108.78 2q2i s ILE 5 Ca 0.73 -2.08 -0.11 0.00 -0.26 0.00 0.00 60.65 58.93 2q2i s ILE 5 Cb -0.26 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.43 2q2i s ILE 5 CO 0.38 -0.60 1.08 -0.94 0.24 0.00 0.00 174.94 175.10 2q2i s SER 6 N -3.23 5.44 0.29 4.36 1.04 -1.26 -4.98 113.70 115.35 2q2i s SER 6 Ca 0.21 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 57.90 2q2i s SER 6 Cb 0.03 -2.12 0.45 0.00 0.10 0.00 0.00 66.02 64.48 2q2i s SER 6 CO 0.04 -1.36 1.93 0.22 0.98 0.00 0.00 173.24 175.04 2q2i h TYR 7 N -0.67 1.10 -1.00 5.02 5.03 -2.01 -2.62 116.97 121.83 2q2i h TYR 7 Ca -0.45 0.03 0.06 0.00 2.58 0.00 0.00 58.73 60.94 2q2i h TYR 7 Cb 1.24 -0.37 -0.06 0.00 1.55 0.00 0.00 36.73 39.09 2q2i h TYR 7 CO 0.54 0.63 0.65 0.00 -1.32 0.00 0.00 178.16 178.65 2q2i h ALA 8 N 1.47 1.39 0.00 1.82 0.00 -1.98 0.24 119.26 122.20 2q2i h ALA 8 Ca 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2q2i h ALA 8 Cb 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2q2i h ALA 8 CO -0.12 0.48 -0.06 -0.44 0.00 0.00 0.00 179.25 179.11 2q2i h ASP 9 N 1.20 0.00 0.00 0.00 3.45 -1.86 -1.67 116.42 117.55 2q2i h ASP 9 Ca 0.42 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 2q2i h ASP 9 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 2q2i h ASP 9 CO -0.16 0.06 -0.00 0.15 -1.57 0.00 0.00 179.24 177.72 2q2i h PHE 10 N 0.00 -0.00 -0.16 4.55 3.57 -1.15 -3.38 116.94 120.37 2q2i h PHE 10 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2q2i h PHE 10 Cb 0.75 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2q2i h PHE 10 CO 0.00 0.90 0.06 1.49 -2.23 0.00 0.00 178.31 178.53 2q2i h GLU 11 N -0.92 0.22 0.00 1.11 4.81 -0.36 -2.12 114.58 117.31 2q2i h GLU 11 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2q2i h GLU 11 Cb 0.90 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2q2i h GLU 11 CO 0.00 0.19 0.00 1.57 -0.73 0.00 0.00 179.01 180.04 2q2i h LYS 12 N 0.22 0.00 -6.15 1.92 2.10 -1.49 -3.39 116.57 109.78 2q2i h LYS 12 Ca 0.06 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.12 2q2i h LYS 12 Cb 0.05 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.30 2q2i h LYS 12 CO -0.01 0.00 0.67 0.08 -2.00 0.00 0.00 179.45 178.20 2q2i s VAL 13 N -3.48 4.57 -0.70 0.07 1.01 -0.80 -4.99 120.40 116.08 2q2i s VAL 13 Ca 0.02 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 2q2i s VAL 13 Cb 0.09 -4.35 0.14 0.00 0.00 0.00 0.00 36.38 32.26 2q2i s VAL 13 CO 0.42 -0.51 0.76 -0.62 0.00 0.00 0.00 175.10 175.15 2q2i s ASP 14 N 1.80 6.41 -0.23 3.32 -1.08 -1.26 -5.01 116.67 120.62 2q2i s ASP 14 Ca 0.40 -1.92 -0.10 0.00 -0.52 0.00 0.00 52.55 50.41 2q2i s ASP 14 Cb -0.12 -2.28 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 2q2i s ASP 14 CO 0.17 -0.92 0.13 -0.63 0.52 0.00 0.00 175.17 174.44 2q2i s ILE 15 N 1.85 5.11 0.18 4.11 1.01 -1.26 -1.02 121.20 131.18 2q2i s ILE 15 Ca 0.15 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.99 2q2i s ILE 15 Cb -0.18 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2q2i s ILE 15 CO -0.01 0.36 -0.20 -0.13 0.00 0.00 0.00 174.94 174.96 2q2i s ARG 16 N 1.06 1.36 0.00 2.79 1.81 -0.45 -0.88 118.95 124.64 2q2i s ARG 16 Ca 0.06 -1.46 -0.12 0.00 -1.72 0.00 0.00 55.73 52.49 2q2i s ARG 16 Cb -0.14 -1.48 -0.05 0.00 -0.45 0.00 0.00 34.95 32.83 2q2i s ARG 16 CO 0.04 0.30 0.37 0.54 -0.68 0.00 0.00 175.30 175.87 2q2i s VAL 17 N -2.01 5.11 0.24 3.52 0.11 -0.81 -1.10 120.40 125.46 2q2i s VAL 17 Ca 0.18 0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 59.76 2q2i s VAL 17 Cb -0.06 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 2q2i s VAL 17 CO 0.08 0.51 0.45 -0.83 -3.33 0.00 0.00 175.10 171.98 2q2i s GLY 18 N -1.25 0.61 -0.16 6.54 0.00 -0.47 -0.32 107.32 112.27 2q2i s GLY 18 Ca 0.25 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 2q2i s GLY 18 CO 0.13 -0.69 -0.07 -1.59 0.00 0.00 0.00 173.10 170.88 2q2i s THR 19 N -4.03 3.46 0.10 0.90 2.01 -0.49 -0.63 115.64 116.97 2q2i s THR 19 Ca 0.24 -0.50 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2q2i s THR 19 Cb -0.00 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 2q2i s THR 19 CO 0.09 0.49 1.60 -0.63 -0.69 0.00 0.00 174.62 175.48 2q2i s ILE 20 N 0.60 2.93 -0.12 1.82 1.01 0.04 -0.38 121.20 127.10 2q2i s ILE 20 Ca -0.05 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.22 2q2i s ILE 20 Cb -0.15 -3.33 -0.14 0.00 0.01 0.00 0.00 42.46 38.85 2q2i s ILE 20 CO 0.03 0.01 0.26 1.33 0.00 0.00 0.00 174.94 176.58 2q2i n VAL 21 N 4.42 0.00 -3.78 2.92 0.24 0.21 -0.24 118.33 122.11 2q2i n VAL 21 Ca 0.15 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 2q2i n VAL 21 Cb 0.40 0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 33.12 2q2i n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2q2i s GLU 22 N -2.50 0.48 -0.14 7.34 2.12 -1.14 -4.93 118.70 119.93 2q2i s GLU 22 Ca -0.02 0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.35 2q2i s GLU 22 Cb 0.07 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.72 2q2i s GLU 22 CO 0.41 -0.10 0.35 0.00 -0.54 0.00 0.00 175.26 175.38 2q2i s ALA 23 N -0.51 -0.87 0.03 6.30 0.00 -1.26 -1.17 121.76 124.27 2q2i s ALA 23 Ca -0.06 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 2q2i s ALA 23 Cb -0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2q2i s ALA 23 CO 0.02 -0.22 0.07 0.14 0.00 0.00 0.00 175.76 175.78 2q2i s VAL 24 N 0.96 0.12 0.74 0.00 -7.23 -0.30 -4.79 120.40 109.91 2q2i s VAL 24 Ca -0.06 -1.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.95 2q2i s VAL 24 Cb -0.07 -0.69 0.04 0.00 0.56 0.00 0.00 36.38 36.22 2q2i s VAL 24 CO -0.07 -0.55 1.25 -2.84 -0.31 0.00 0.00 175.10 172.57 2q2i s PRO 25 N -2.16 2.01 -0.59 4.82 0.02 -1.26 -0.65 135.00 137.18 2q2i s PRO 25 Ca -0.09 1.90 0.06 0.00 0.02 0.00 0.00 61.00 62.89 2q2i s PRO 25 Cb -0.04 -1.80 0.27 0.00 0.02 0.00 0.00 34.50 32.95 2q2i s PRO 25 CO -0.03 -1.97 0.75 0.34 -0.33 0.00 0.00 177.00 175.77 2q2i n PHE 26 N -2.72 3.07 0.29 6.54 7.35 -0.70 -4.62 117.46 126.67 2q2i n PHE 26 Ca 0.15 -4.04 0.15 0.00 -0.76 0.00 0.00 57.45 52.94 2q2i n PHE 26 Cb 0.49 -0.52 0.70 0.00 0.35 0.00 0.00 39.48 40.50 2q2i n PHE 26 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2q2i h PRO 27 N 3.91 0.00 0.00 -7.13 0.13 -1.94 -2.09 132.00 124.89 2q2i h PRO 27 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 2q2i h PRO 27 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2q2i h PRO 27 CO 0.77 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.34 2q2i h GLU 28 N 0.00 0.00 -7.15 0.86 3.07 -1.95 -3.45 114.58 105.96 2q2i h GLU 28 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 2q2i h GLU 28 Cb 0.22 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.22 2q2i h GLU 28 CO 0.00 0.14 0.40 0.00 -1.40 0.00 0.00 179.01 178.15 2q2i s ALA 29 N -3.73 2.56 0.10 3.43 0.00 -0.78 -4.97 121.76 118.36 2q2i s ALA 29 Ca 0.00 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 2q2i s ALA 29 Cb 0.10 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2q2i s ALA 29 CO 0.60 -1.08 1.69 -0.09 0.00 0.00 0.00 175.76 176.88 2q2i h ARG 30 N 0.52 0.23 -6.15 0.00 9.65 -1.89 -3.43 114.38 113.30 2q2i h ARG 30 Ca -0.48 -0.03 -0.53 0.00 -1.10 0.00 0.00 59.98 57.84 2q2i h ARG 30 Cb 1.26 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 2q2i h ARG 30 CO 0.55 0.24 -0.50 0.15 2.80 0.00 0.00 179.97 183.21 2q2i s LYS 31 N -5.83 3.16 0.29 0.20 -0.14 -1.26 -5.06 119.74 111.09 2q2i s LYS 31 Ca -0.13 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.36 2q2i s LYS 31 Cb 0.07 -2.76 -0.12 0.00 -1.68 0.00 0.00 37.83 33.34 2q2i s LYS 31 CO 0.69 0.47 1.59 -2.30 -0.76 0.00 0.00 175.35 175.04 2q2i n PRO 32 N -0.77 2.67 -3.87 -1.68 -0.02 -1.26 -4.96 135.00 125.10 2q2i n PRO 32 Ca -0.08 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 2q2i n PRO 32 Cb 0.56 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 2q2i n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q2i s ALA 33 N 0.03 -0.78 -0.02 3.55 0.00 -1.26 -4.39 121.76 118.89 2q2i s ALA 33 Ca 0.65 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2q2i s ALA 33 Cb -0.50 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2q2i s ALA 33 CO 0.48 -0.90 -0.10 0.42 0.00 0.00 0.00 175.76 175.66 2q2i s ILE 34 N -3.94 0.82 -0.06 0.00 1.01 -0.37 -1.72 121.20 116.93 2q2i s ILE 34 Ca 0.15 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2q2i s ILE 34 Cb -0.03 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 2q2i s ILE 34 CO 0.05 0.25 0.30 -0.54 0.00 0.00 0.00 174.94 175.00 2q2i s LYS 35 N 0.10 3.81 0.11 2.79 1.02 0.17 -1.55 119.74 126.19 2q2i s LYS 35 Ca -0.02 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.20 2q2i s LYS 35 Cb -0.08 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2q2i s LYS 35 CO 0.00 0.65 -0.10 0.14 -0.92 0.00 0.00 175.35 175.13 2q2i s VAL 36 N -0.82 0.98 -0.11 3.17 -7.23 0.48 -1.15 120.40 115.72 2q2i s VAL 36 Ca 0.20 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2q2i s VAL 36 Cb -0.15 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2q2i s VAL 36 CO 0.09 -0.63 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.61 2q2i s LYS 37 N -3.10 3.16 -0.12 4.82 1.02 -0.32 -1.34 119.74 123.85 2q2i s LYS 37 Ca 0.09 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.49 2q2i s LYS 37 Cb -0.01 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2q2i s LYS 37 CO -0.00 0.39 -0.23 0.42 -0.92 0.00 0.00 175.35 175.01 2q2i s ILE 38 N -0.09 2.04 -0.52 2.17 1.01 0.51 -0.62 121.20 125.71 2q2i s ILE 38 Ca -0.01 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.40 2q2i s ILE 38 Cb -0.14 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.58 2q2i s ILE 38 CO 0.03 0.55 1.02 -0.62 0.00 0.00 0.00 174.94 175.93 2q2i s ASP 39 N 0.63 6.44 -0.21 3.58 -1.08 0.48 -0.94 116.67 125.58 2q2i s ASP 39 Ca -0.12 -0.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.99 2q2i s ASP 39 Cb -0.16 -2.48 0.60 0.00 -1.46 0.00 0.00 42.92 39.42 2q2i s ASP 39 CO 0.02 -1.24 1.50 0.49 0.52 0.00 0.00 175.17 176.45 2q2i n PHE 40 N 7.67 1.73 0.00 -5.34 3.01 -0.46 -1.39 117.46 122.68 2q2i n PHE 40 Ca 0.06 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.78 2q2i n PHE 40 Cb 0.48 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2q2i n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2q2i n GLY 41 N 0.24 0.18 0.22 1.37 0.00 -1.26 -2.33 105.19 103.61 2q2i n GLY 41 Ca 0.26 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.40 2q2i n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q2i h PRO 42 N 0.00 0.16 0.05 1.61 0.13 -1.92 0.33 132.00 132.35 2q2i h PRO 42 Ca 0.00 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2q2i h PRO 42 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2q2i h PRO 42 CO 0.00 0.41 -0.02 0.93 -0.23 0.00 0.00 178.00 179.08 2q2i h GLU 43 N 0.15 -0.06 0.25 0.86 5.08 -1.95 -3.36 114.58 115.55 2q2i h GLU 43 Ca 0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.06 2q2i h GLU 43 Cb 0.53 0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.83 2q2i h GLU 43 CO 0.04 0.55 -1.46 0.82 -1.00 0.00 0.00 179.01 177.96 2q2i h ILE 44 N -0.76 1.29 0.00 3.13 2.04 -1.74 -3.50 117.51 117.97 2q2i h ILE 44 Ca -0.01 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.16 2q2i h ILE 44 Cb 0.64 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 2q2i h ILE 44 CO 0.01 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.58 2q2i n GLY 45 N 1.72 -1.79 3.71 5.37 0.00 0.11 -4.88 105.19 109.43 2q2i n GLY 45 Ca -0.17 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 2q2i n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q2i s ILE 46 N 0.00 5.20 0.08 -0.61 1.01 -1.26 -1.36 121.20 124.25 2q2i s ILE 46 Ca 0.00 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.58 2q2i s ILE 46 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2q2i s ILE 46 CO 0.00 0.31 -0.20 -0.54 0.00 0.00 0.00 174.94 174.51 2q2i s LYS 47 N 0.83 1.18 0.16 2.79 -0.14 -0.12 -4.91 119.74 119.52 2q2i s LYS 47 Ca 0.23 -1.04 -0.18 0.00 -1.36 0.00 0.00 55.97 53.63 2q2i s LYS 47 Cb -0.15 -1.35 -0.07 0.00 -1.68 0.00 0.00 37.83 34.57 2q2i s LYS 47 CO 0.09 0.33 0.63 0.15 -0.76 0.00 0.00 175.35 175.78 2q2i s LYS 48 N -1.59 4.14 0.31 1.68 1.02 -1.26 -0.36 119.74 123.68 2q2i s LYS 48 Ca 0.06 0.70 -0.12 0.00 0.02 0.00 0.00 55.97 56.63 2q2i s LYS 48 Cb -0.09 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 2q2i s LYS 48 CO 0.03 0.48 0.57 0.45 -0.92 0.00 0.00 175.35 175.96 2q2i s SER 49 N -1.56 0.17 0.10 2.83 0.15 -0.45 -0.92 113.70 114.02 2q2i s SER 49 Ca 0.38 -1.08 -0.18 0.00 0.70 0.00 0.00 55.95 55.77 2q2i s SER 49 Cb -0.17 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2q2i s SER 49 CO 0.20 -1.32 0.43 -0.94 1.20 0.00 0.00 173.24 172.81 2q2i s SER 50 N -3.07 -0.29 0.03 5.45 1.04 -1.26 -0.38 113.70 115.21 2q2i s SER 50 Ca 0.22 -0.17 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 2q2i s SER 50 Cb -0.02 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.65 2q2i s SER 50 CO 0.12 -0.80 0.73 0.00 0.98 0.00 0.00 173.24 174.27 2q2i s ALA 51 N -3.34 -1.73 -1.36 5.32 0.00 -0.60 -4.67 121.76 115.39 2q2i s ALA 51 Ca -0.00 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 2q2i s ALA 51 Cb 0.01 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.60 2q2i s ALA 51 CO -0.09 -0.60 1.97 1.04 0.00 0.00 0.00 175.76 178.08 2q2i n GLN 52 N 0.10 3.15 -0.71 0.00 6.02 -1.26 -1.23 117.38 123.45 2q2i n GLN 52 Ca -0.15 -3.08 0.06 0.00 -0.01 0.00 0.00 57.00 53.82 2q2i n GLN 52 Cb 0.61 -3.23 0.17 0.00 1.02 0.00 0.00 30.24 28.82 2q2i n GLN 52 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2q2i n ILE 53 N 4.92 1.79 0.65 5.09 -5.35 -1.26 -4.41 119.36 120.79 2q2i n ILE 53 Ca 0.47 -2.76 0.13 0.00 -0.27 0.00 0.00 62.75 60.32 2q2i n ILE 53 Cb 0.40 -0.03 0.41 0.00 -1.74 0.00 0.00 39.64 38.69 2q2i n ILE 53 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2q2i n THR 54 N -0.86 0.55 -0.01 7.28 -2.24 -1.26 -2.46 114.28 115.28 2q2i n THR 54 Ca 0.16 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2q2i n THR 54 Cb 0.76 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 2q2i n THR 54 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2q2i h VAL 55 N 0.00 1.37 0.00 2.28 2.07 -1.91 -3.36 116.25 116.70 2q2i h VAL 55 Ca 0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2q2i h VAL 55 Cb 0.72 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2q2i h VAL 55 CO 0.00 0.33 -1.43 1.41 0.02 0.00 0.00 177.57 177.90 2q2i n HIS 56 N -4.83 0.22 -4.39 1.57 8.25 -1.25 -5.00 115.22 109.78 2q2i n HIS 56 Ca -0.09 0.06 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2q2i n HIS 56 Cb 0.29 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 30.82 2q2i n HIS 56 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2q2i s TYR 57 N -3.33 1.84 0.07 4.41 1.51 -1.03 -5.13 117.35 115.70 2q2i s TYR 57 Ca -0.01 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2q2i s TYR 57 Cb 0.14 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 2q2i s TYR 57 CO 0.85 0.29 -0.07 0.95 -1.11 0.00 0.00 175.55 176.47 2q2i s THR 58 N -3.02 0.62 0.43 -0.71 -4.23 -1.26 -4.43 115.64 103.04 2q2i s THR 58 Ca 0.27 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.33 2q2i s THR 58 Cb 0.02 -1.26 0.34 0.00 1.34 0.00 0.00 72.50 72.94 2q2i s THR 58 CO 0.10 -0.69 1.95 -0.65 -0.54 0.00 0.00 174.62 174.79 2q2i h PRO 59 N 3.57 0.40 -0.24 3.99 0.11 -1.94 -1.63 132.00 136.26 2q2i h PRO 59 Ca -0.35 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 2q2i h PRO 59 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2q2i h PRO 59 CO 0.55 0.26 -0.54 0.93 -0.21 0.00 0.00 178.00 179.00 2q2i h GLU 60 N 0.41 0.71 0.00 1.05 3.07 -1.96 -3.28 114.58 114.59 2q2i h GLU 60 Ca 0.32 -0.45 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2q2i h GLU 60 Cb 0.68 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2q2i h GLU 60 CO -0.09 1.07 -0.66 0.66 -1.40 0.00 0.00 179.01 178.59 2q2i h SER 61 N 0.55 0.00 0.82 1.42 4.64 -1.88 -3.36 113.55 115.74 2q2i h SER 61 Ca 0.01 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 2q2i h SER 61 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2q2i h SER 61 CO 0.11 0.02 -0.80 -0.07 -0.87 0.00 0.00 176.83 175.22 2q2i h LEU 62 N 0.00 0.00 -9.48 5.97 3.38 -1.36 -3.44 115.31 110.38 2q2i h LEU 62 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2q2i h LEU 62 Cb 0.95 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.73 2q2i h LEU 62 CO 0.00 0.80 1.05 -0.69 0.09 0.00 0.00 178.44 179.69 2q2i s VAL 63 N -3.16 2.79 0.00 1.22 1.01 -1.25 -1.43 120.40 119.58 2q2i s VAL 63 Ca -0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2q2i s VAL 63 Cb 0.11 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2q2i s VAL 63 CO 0.79 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.50 2q2i n GLY 64 N 4.10 0.04 3.75 4.51 0.00 0.66 -5.00 105.19 113.25 2q2i n GLY 64 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2q2i n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q2i s ARG 65 N -0.97 4.85 -0.08 1.61 3.52 -0.51 -4.75 118.95 122.62 2q2i s ARG 65 Ca 0.00 1.49 -0.21 0.00 -0.13 0.00 0.00 55.73 56.89 2q2i s ARG 65 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2q2i s ARG 65 CO 0.00 0.50 0.58 -0.65 -0.81 0.00 0.00 175.30 174.92 2q2i s GLN 66 N -1.10 4.37 0.30 5.12 -0.21 -1.26 -0.78 119.66 126.09 2q2i s GLN 66 Ca 0.41 0.66 0.08 0.00 0.02 0.00 0.00 55.36 56.54 2q2i s GLN 66 Cb -0.26 -3.42 -0.06 0.00 1.00 0.00 0.00 33.01 30.27 2q2i s GLN 66 CO 0.32 0.17 -0.09 0.14 -2.12 0.00 0.00 175.29 173.71 2q2i s VAL 67 N 0.52 1.93 -0.11 1.09 -7.23 0.20 -4.53 120.40 112.27 2q2i s VAL 67 Ca 0.31 -2.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 2q2i s VAL 67 Cb -0.17 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2q2i s VAL 67 CO 0.15 -0.29 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.86 2q2i s LEU 68 N -3.50 3.42 0.00 1.32 1.43 -1.26 -1.37 118.68 118.72 2q2i s LEU 68 Ca 0.30 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2q2i s LEU 68 Cb 0.02 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2q2i s LEU 68 CO 0.13 0.30 0.06 -0.83 0.23 0.00 0.00 176.35 176.25 2q2i s GLY 69 N -0.41 0.10 -0.20 -3.19 0.00 -0.26 -0.64 107.32 102.73 2q2i s GLY 69 Ca 0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.26 2q2i s GLY 69 CO 0.02 -0.33 1.12 0.14 0.00 0.00 0.00 173.10 174.04 2q2i s VAL 70 N -1.15 4.54 -1.15 1.40 1.01 -0.25 -1.35 120.40 123.46 2q2i s VAL 70 Ca -0.13 1.86 0.19 0.00 0.00 0.00 0.00 61.98 63.90 2q2i s VAL 70 Cb -0.07 -4.20 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 2q2i s VAL 70 CO 0.00 -0.15 0.84 1.33 0.00 0.00 0.00 175.10 177.13 2q2i n VAL 71 N 5.28 0.00 -1.49 2.92 0.24 -0.19 -2.65 118.33 122.44 2q2i n VAL 71 Ca 0.12 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.34 62.23 2q2i n VAL 71 Cb 0.46 1.07 0.19 0.00 -1.47 0.00 0.00 33.84 34.08 2q2i n VAL 71 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2q2i n ASN 72 N -1.01 2.70 -4.88 -1.34 6.94 -1.26 -4.94 115.26 111.47 2q2i n ASN 72 Ca 0.05 -3.80 -0.30 0.00 -0.02 0.00 0.00 54.58 50.51 2q2i n ASN 72 Cb 0.33 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 37.10 2q2i n ASN 72 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2q2i s PHE 73 N -3.29 3.52 0.70 -2.53 2.99 -1.26 -4.98 117.98 113.13 2q2i s PHE 73 Ca 0.46 1.11 -0.14 0.00 0.00 0.00 0.00 56.93 58.35 2q2i s PHE 73 Cb 0.41 -2.52 0.02 0.00 0.00 0.00 0.00 43.02 40.93 2q2i s PHE 73 CO -0.00 -0.32 1.13 -1.25 -0.00 0.00 0.00 175.22 174.78 2q2i s PRO 74 N -4.39 2.54 0.57 0.24 0.04 -1.26 -4.96 135.00 127.78 2q2i s PRO 74 Ca 0.52 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2q2i s PRO 74 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2q2i s PRO 74 CO 0.39 -1.47 1.07 -2.30 0.04 0.00 0.00 177.00 174.74 2q2i n PRO 75 N -2.66 1.13 -4.24 0.56 -0.02 -1.26 -4.95 135.00 123.56 2q2i n PRO 75 Ca 0.11 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 2q2i n PRO 75 Cb 0.52 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.58 2q2i n PRO 75 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2q2i s ARG 76 N -2.72 2.14 -0.32 -0.52 3.52 0.03 -4.97 118.95 116.11 2q2i s ARG 76 Ca 0.74 -0.51 -0.24 0.00 -0.13 0.00 0.00 55.73 55.59 2q2i s ARG 76 Cb -0.43 -1.90 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 2q2i s ARG 76 CO 0.48 -0.14 0.80 -1.14 -0.81 0.00 0.00 175.30 174.48 2q2i s GLN 77 N 1.23 3.92 -0.55 5.12 2.00 -1.26 -0.24 119.66 129.88 2q2i s GLN 77 Ca -0.02 0.54 -0.01 0.00 -2.00 0.00 0.00 55.36 53.87 2q2i s GLN 77 Cb -0.14 -3.75 0.14 0.00 0.80 0.00 0.00 33.01 30.07 2q2i s GLN 77 CO -0.05 -0.72 0.34 0.42 -0.50 0.00 0.00 175.29 174.78 2q2i s ILE 78 N 3.01 3.36 0.00 -2.34 1.01 0.11 -4.97 121.20 121.39 2q2i s ILE 78 Ca 0.32 -2.82 0.00 0.00 0.00 0.00 0.00 60.65 58.15 2q2i s ILE 78 Cb -0.14 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2q2i s ILE 78 CO 0.14 -0.81 0.00 0.61 0.00 0.00 0.00 174.94 174.87 2q2i n GLY 79 N 3.67 3.50 0.00 6.18 0.00 -1.26 -1.29 105.19 115.99 2q2i n GLY 79 Ca 0.05 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2q2i n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q2i n PRO 80 N 14.00 0.50 -4.00 1.61 -0.04 -1.26 -4.81 135.00 141.00 2q2i n PRO 80 Ca 0.00 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.13 2q2i n PRO 80 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2q2i n PRO 80 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2q2i s PHE 81 N -2.45 3.16 -0.55 0.54 5.36 -0.41 -5.05 117.98 118.58 2q2i s PHE 81 Ca 0.30 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.97 2q2i s PHE 81 Cb 0.19 -2.11 0.12 0.00 -0.34 0.00 0.00 43.02 40.87 2q2i s PHE 81 CO 0.40 -0.03 0.57 0.50 -1.46 0.00 0.00 175.22 175.20 2q2i s ARG 82 N 0.75 3.01 0.27 10.12 3.52 -1.26 0.10 118.95 135.45 2q2i s ARG 82 Ca 0.03 -1.55 -0.26 0.00 -0.13 0.00 0.00 55.73 53.81 2q2i s ARG 82 Cb -0.14 -4.28 -0.09 0.00 -1.56 0.00 0.00 34.95 28.88 2q2i s ARG 82 CO 0.02 -1.38 0.90 0.45 -0.81 0.00 0.00 175.30 174.48 2q2i s SER 83 N 3.55 7.41 -0.01 -2.12 0.15 0.67 -4.87 113.70 118.48 2q2i s SER 83 Ca 0.06 1.80 0.11 0.00 0.70 0.00 0.00 55.95 58.62 2q2i s SER 83 Cb -0.28 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.33 2q2i s SER 83 CO 0.04 0.05 0.33 -0.62 1.20 0.00 0.00 173.24 174.24 2q2i n GLU 84 N 0.99 1.78 -3.85 5.44 1.02 -0.10 -0.79 120.64 125.13 2q2i n GLU 84 Ca -0.01 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 2q2i n GLU 84 Cb 0.49 -1.14 -0.12 0.00 -0.02 0.00 0.00 31.44 30.65 2q2i n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2q2i s VAL 85 N -2.41 0.03 -0.32 2.62 1.01 -0.93 -4.69 120.40 115.71 2q2i s VAL 85 Ca -0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2q2i s VAL 85 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 2q2i s VAL 85 CO 0.44 -0.12 0.54 -0.22 0.00 0.00 0.00 175.10 175.74 2q2i s LEU 86 N -0.36 4.22 -0.12 3.92 2.96 -1.08 -4.50 118.68 123.71 2q2i s LEU 86 Ca -0.04 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 53.84 2q2i s LEU 86 Cb -0.03 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 2q2i s LEU 86 CO 0.00 -0.43 0.71 -0.89 -1.32 0.00 0.00 176.35 174.43 2q2i s THR 87 N 2.42 5.00 0.09 3.68 2.01 -1.26 -1.09 115.64 126.49 2q2i s THR 87 Ca 0.21 1.43 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 2q2i s THR 87 Cb -0.15 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2q2i s THR 87 CO 0.12 0.17 0.45 -0.76 -0.69 0.00 0.00 174.62 173.91 2q2i s LEU 88 N 1.37 4.37 0.00 4.42 1.43 0.19 -5.00 118.68 125.46 2q2i s LEU 88 Ca 0.36 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.37 2q2i s LEU 88 Cb -0.17 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2q2i s LEU 88 CO 0.15 0.17 0.02 0.61 0.23 0.00 0.00 176.35 177.53 2q2i n GLY 89 N 1.01 1.63 2.99 -3.19 0.00 -1.26 -1.52 105.19 104.85 2q2i n GLY 89 Ca -0.08 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2q2i n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q2i s PHE 90 N -7.39 0.16 0.08 1.61 0.40 0.02 -4.84 117.98 108.02 2q2i s PHE 90 Ca 0.00 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.70 2q2i s PHE 90 Cb -0.00 -0.12 -0.06 0.00 0.51 0.00 0.00 43.02 43.35 2q2i s PHE 90 CO 0.00 -0.17 1.18 0.00 0.70 0.00 0.00 175.22 176.93 2q2i s ALA 91 N -1.14 3.38 0.97 5.36 0.00 -1.26 -0.37 121.76 128.70 2q2i s ALA 91 Ca -0.12 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 2q2i s ALA 91 Cb -0.08 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.70 2q2i s ALA 91 CO -0.00 -0.40 0.51 -0.40 0.00 0.00 0.00 175.76 175.47 2q2i n ASP 92 N 3.69 0.07 0.26 0.00 5.68 0.64 -4.82 116.55 122.07 2q2i n ASP 92 Ca 0.08 -1.20 0.17 0.00 -0.50 0.00 0.00 54.79 53.34 2q2i n ASP 92 Cb 0.46 -0.39 0.91 0.00 -1.14 0.00 0.00 41.12 40.97 2q2i n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q2i h ALA 93 N -1.84 1.58 -0.07 2.12 0.00 -1.97 -0.35 119.26 118.73 2q2i h ALA 93 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2q2i h ALA 93 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2q2i h ALA 93 CO 0.12 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.30 2q2i n ASN 94 N -3.67 2.90 0.00 0.00 3.02 -1.26 -4.96 115.26 111.28 2q2i n ASN 94 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2q2i n ASN 94 Cb 0.21 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2q2i n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q2i n GLY 95 N 1.35 0.74 3.82 7.41 0.00 -0.14 -5.06 105.19 113.31 2q2i n GLY 95 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2q2i n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q2i s ASP 96 N -3.00 6.98 -0.05 1.61 -0.00 -1.26 -4.58 116.67 116.37 2q2i s ASP 96 Ca 0.00 1.59 -0.27 0.00 -0.00 0.00 0.00 52.55 53.88 2q2i s ASP 96 Cb 0.00 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.39 2q2i s ASP 96 CO 0.00 -0.24 0.86 -0.63 -0.00 0.00 0.00 175.17 175.16 2q2i s ILE 97 N -1.98 4.94 -0.14 0.77 -1.09 -1.26 -0.26 121.20 122.17 2q2i s ILE 97 Ca 0.56 1.78 -0.02 0.00 -2.23 0.00 0.00 60.65 60.74 2q2i s ILE 97 Cb -0.12 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 2q2i s ILE 97 CO 0.17 0.18 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.29 2q2i s VAL 98 N 1.06 3.56 0.33 2.92 1.01 0.50 -4.69 120.40 125.10 2q2i s VAL 98 Ca 0.45 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 2q2i s VAL 98 Cb -0.19 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 2q2i s VAL 98 CO 0.22 0.51 1.09 -0.76 0.00 0.00 0.00 175.10 176.16 2q2i s LEU 99 N 0.30 4.40 0.72 3.92 1.43 -1.26 -0.80 118.68 127.38 2q2i s LEU 99 Ca -0.06 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 2q2i s LEU 99 Cb -0.15 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.28 2q2i s LEU 99 CO 0.04 -0.29 1.19 0.00 0.23 0.00 0.00 176.35 177.52 2q2i s ALA 100 N -1.34 2.17 0.35 4.21 0.00 -0.57 -4.89 121.76 121.69 2q2i s ALA 100 Ca 0.49 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 2q2i s ALA 100 Cb -0.29 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.40 2q2i s ALA 100 CO 0.37 -1.77 0.50 0.00 0.00 0.00 0.00 175.76 174.85 2q2i s ALA 101 N -2.05 0.72 0.05 0.00 0.00 -1.26 -4.25 121.76 114.96 2q2i s ALA 101 Ca 0.73 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 51.27 2q2i s ALA 101 Cb -0.27 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 2q2i s ALA 101 CO 0.45 -0.80 -0.23 0.14 0.00 0.00 0.00 175.76 175.32 2q2i s VAL 102 N -2.96 2.44 0.47 0.00 -7.23 -1.26 -4.95 120.40 106.91 2q2i s VAL 102 Ca 0.30 -1.31 0.15 0.00 -1.81 0.00 0.00 61.98 59.31 2q2i s VAL 102 Cb -0.01 -1.99 0.21 0.00 0.56 0.00 0.00 36.38 35.15 2q2i s VAL 102 CO 0.20 0.34 2.04 -0.08 -0.31 0.00 0.00 175.10 177.30 2q2i h GLU 103 N 4.65 0.00 -3.63 4.82 4.22 -2.02 -3.44 114.58 119.18 2q2i h GLU 103 Ca -0.47 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 58.90 2q2i h GLU 103 Cb 1.15 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 2q2i h GLU 103 CO 0.45 0.12 -0.19 -0.98 -2.18 0.00 0.00 179.01 176.23 2q2i s ARG 104 N -4.77 1.15 0.32 1.92 1.70 -1.26 -5.14 118.95 112.87 2q2i s ARG 104 Ca -0.04 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 53.95 2q2i s ARG 104 Cb 0.16 0.43 -0.12 0.00 -0.57 0.00 0.00 34.95 34.84 2q2i s ARG 104 CO 0.69 -0.44 1.41 -2.30 -1.08 0.00 0.00 175.30 173.57 2q2i n PRO 105 N -0.23 2.32 -4.24 3.89 -0.02 -1.26 -5.02 135.00 130.44 2q2i n PRO 105 Ca -0.11 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2q2i n PRO 105 Cb 0.63 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 2q2i n PRO 105 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2q2i s VAL 106 N -0.67 1.16 0.26 -1.45 -7.23 -1.26 -5.12 120.40 106.09 2q2i s VAL 106 Ca 0.59 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.53 2q2i s VAL 106 Cb -0.55 -1.70 -0.13 0.00 0.56 0.00 0.00 36.38 34.55 2q2i s VAL 106 CO 0.57 -0.66 1.47 -2.65 -0.31 0.00 0.00 175.10 173.53 2q2i n PRO 107 N 0.06 2.26 -1.79 4.82 -0.02 -1.26 -4.91 135.00 134.16 2q2i n PRO 107 Ca -0.12 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 2q2i n PRO 107 Cb 0.59 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2q2i n PRO 107 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2q2i s ASN 108 N 0.36 6.39 0.00 2.55 0.01 -1.26 -2.50 114.94 120.49 2q2i s ASN 108 Ca 0.67 2.95 0.00 0.00 -0.71 0.00 0.00 52.86 55.76 2q2i s ASN 108 Cb -0.60 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.43 2q2i s ASN 108 CO 0.49 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.80 2q2i n GLY 109 N 1.97 0.67 3.77 0.66 0.00 0.57 -4.19 105.19 108.63 2q2i n GLY 109 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2q2i n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q2i s GLU 110 N -0.70 4.36 0.08 1.61 0.41 -1.04 -4.81 118.70 118.62 2q2i s GLU 110 Ca 0.00 2.19 -0.21 0.00 -0.41 0.00 0.00 54.97 56.54 2q2i s GLU 110 Cb 0.00 -3.07 -0.07 0.00 -1.78 0.00 0.00 34.13 29.22 2q2i s GLU 110 CO 0.00 -0.17 0.62 0.21 -0.49 0.00 0.00 175.26 175.43 2q2i s LYS 111 N -1.79 4.31 0.18 1.61 2.20 -1.26 -1.92 119.74 123.06 2q2i s LYS 111 Ca 0.49 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.63 2q2i s LYS 111 Cb -0.39 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.58 2q2i s LYS 111 CO 0.52 0.57 1.18 1.41 -0.36 0.00 0.00 175.35 178.67 2q2i s MET 112 N -0.92 4.50 0.00 4.03 -2.45 -0.06 -4.99 119.30 119.41 2q2i s MET 112 Ca 0.31 1.85 0.00 0.00 -1.25 0.00 0.00 55.69 56.60 2q2i s MET 112 Cb -0.20 -3.25 0.00 0.00 1.25 0.00 0.00 34.83 32.63 2q2i s MET 112 CO 0.20 -0.07 0.00 0.00 1.05 0.00 0.00 175.02 176.20