#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2r n PRO 12 N 0.00 1.14 -0.22 5.56 -0.04 -1.26 -4.32 135.00 135.87 1q2r n PRO 12 Ca 0.00 0.41 -0.03 0.00 -0.04 0.00 0.00 63.50 63.83 1q2r n PRO 12 Cb 0.00 -1.80 0.07 0.00 -0.04 0.00 0.00 33.50 31.73 1q2r n PRO 12 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1q2r h ARG 13 N 1.58 0.67 -0.40 0.54 2.43 -1.87 -2.59 114.38 114.74 1q2r h ARG 13 Ca -0.41 -0.04 0.20 0.00 -0.81 0.00 0.00 59.98 58.92 1q2r h ARG 13 Cb 1.36 -0.15 -0.20 0.00 -0.42 0.00 0.00 29.97 30.55 1q2r h ARG 13 CO 0.57 0.45 -0.01 0.12 -1.51 0.00 0.00 179.97 179.59 1q2r s PHE 14 N -6.11 -0.71 -0.23 2.20 5.36 -1.23 -4.16 117.98 113.09 1q2r s PHE 14 Ca -0.13 0.55 -0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1q2r s PHE 14 Cb 0.15 0.17 0.07 0.00 -0.34 0.00 0.00 43.02 43.07 1q2r s PHE 14 CO 0.75 -0.40 -0.01 0.45 -1.46 0.00 0.00 175.22 174.55 1q2r s SER 15 N 2.94 3.66 -0.08 6.13 0.15 -0.59 -4.96 113.70 120.94 1q2r s SER 15 Ca 0.14 -1.16 -0.17 0.00 0.70 0.00 0.00 55.95 55.46 1q2r s SER 15 Cb -0.07 -1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 63.18 1q2r s SER 15 CO -0.18 -0.28 0.44 0.12 1.20 0.00 0.00 173.24 174.54 1q2r s PHE 16 N 1.52 3.58 -0.04 3.44 5.36 -1.26 -1.46 117.98 129.11 1q2r s PHE 16 Ca -0.03 0.90 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 1q2r s PHE 16 Cb -0.18 -2.45 0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1q2r s PHE 16 CO -0.08 0.33 0.06 -1.12 -1.46 0.00 0.00 175.22 172.95 1q2r s SER 17 N 0.06 1.05 -0.39 6.13 0.01 -0.35 -5.01 113.70 115.20 1q2r s SER 17 Ca 0.24 0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.35 1q2r s SER 17 Cb -0.15 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1q2r s SER 17 CO 0.11 -0.24 0.85 -0.63 0.41 0.00 0.00 173.24 173.73 1q2r s ILE 18 N 2.11 4.64 -0.54 1.44 1.01 -1.26 -1.50 121.20 127.10 1q2r s ILE 18 Ca 0.04 0.92 0.24 0.00 0.00 0.00 0.00 60.65 61.85 1q2r s ILE 18 Cb -0.12 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1q2r s ILE 18 CO -0.03 -0.55 1.22 0.00 0.00 0.00 0.00 174.94 175.58 1q2r h ALA 19 N 8.60 0.52 -1.93 9.38 0.00 -1.68 -3.48 119.26 130.68 1q2r h ALA 19 Ca -0.24 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.84 1q2r h ALA 19 Cb 1.09 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 1q2r h ALA 19 CO 0.95 0.00 0.63 0.00 0.00 0.00 0.00 179.25 180.84 1q2r s ALA 20 N -3.22 -1.93 -0.12 0.00 0.00 -1.03 -5.04 121.76 110.42 1q2r s ALA 20 Ca 0.04 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1q2r s ALA 20 Cb 0.13 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.51 1q2r s ALA 20 CO 0.75 -0.65 0.74 -0.98 0.00 0.00 0.00 175.76 175.62 1q2r s ARG 21 N -2.82 0.93 -0.34 0.00 1.70 -1.26 -0.93 118.95 116.23 1q2r s ARG 21 Ca 0.07 0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.77 1q2r s ARG 21 Cb -0.01 0.44 0.11 0.00 -0.57 0.00 0.00 34.95 34.92 1q2r s ARG 21 CO -0.07 -0.25 0.12 -2.00 -1.08 0.00 0.00 175.30 172.03 1q2r s GLU 22 N -0.75 0.94 3.54 3.89 2.12 -0.10 -4.97 118.70 123.37 1q2r s GLU 22 Ca -0.07 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 53.87 1q2r s GLU 22 Cb -0.01 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1q2r s GLU 22 CO 0.06 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 1q2r n GLY 23 N 4.46 0.23 0.29 -1.50 0.00 -1.26 -2.81 105.19 104.60 1q2r n GLY 23 Ca 0.01 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.17 1q2r n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q2r h LYS 24 N 0.00 0.28 -6.96 1.61 1.57 -1.90 -3.43 116.57 107.74 1q2r h LYS 24 Ca 0.00 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1q2r h LYS 24 Cb 0.00 -0.06 0.09 0.00 0.08 0.00 0.00 32.23 32.34 1q2r h LYS 24 CO 0.00 0.19 0.62 0.00 -0.57 0.00 0.00 179.45 179.69 1q2r s ALA 25 N -5.29 3.23 -0.18 3.86 0.00 -1.12 -3.97 121.76 118.29 1q2r s ALA 25 Ca -0.07 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 1q2r s ALA 25 Cb 0.17 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1q2r s ALA 25 CO 0.71 -0.90 0.50 -0.98 0.00 0.00 0.00 175.76 175.08 1q2r s ARG 26 N -2.32 0.60 -0.00 0.00 3.03 -1.26 -0.93 118.95 118.07 1q2r s ARG 26 Ca 0.58 0.66 0.07 0.00 2.03 0.00 0.00 55.73 59.08 1q2r s ARG 26 Cb -0.39 0.29 -0.02 0.00 -1.03 0.00 0.00 34.95 33.80 1q2r s ARG 26 CO 0.50 -0.08 -0.23 -0.08 -1.13 0.00 0.00 175.30 174.28 1q2r s THR 27 N 0.18 2.34 0.00 4.99 -1.32 -0.11 -4.32 115.64 117.40 1q2r s THR 27 Ca -0.01 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 1q2r s THR 27 Cb -0.03 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1q2r s THR 27 CO 0.01 0.50 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 1q2r n GLY 28 N 2.14 2.27 3.26 6.08 0.00 -0.66 -1.67 105.19 116.62 1q2r n GLY 28 Ca -0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1q2r n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q2r s THR 29 N -1.24 0.11 -0.23 2.61 -4.23 -0.56 -0.03 115.64 112.07 1q2r s THR 29 Ca 0.00 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1q2r s THR 29 Cb 0.00 -1.62 0.06 0.00 1.34 0.00 0.00 72.50 72.28 1q2r s THR 29 CO 0.00 -0.48 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.93 1q2r s ILE 30 N -3.92 1.39 -0.08 2.99 1.01 0.92 -1.21 121.20 122.29 1q2r s ILE 30 Ca 0.12 -1.13 -0.22 0.00 0.00 0.00 0.00 60.65 59.42 1q2r s ILE 30 Cb 0.04 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1q2r s ILE 30 CO -0.05 -0.11 0.64 -1.61 0.00 0.00 0.00 174.94 173.81 1q2r s GLU 31 N 1.46 4.41 0.14 2.79 2.02 -0.54 -0.19 118.70 128.79 1q2r s GLU 31 Ca -0.05 0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.72 1q2r s GLU 31 Cb -0.19 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1q2r s GLU 31 CO -0.06 0.08 -0.03 -1.64 0.02 0.00 0.00 175.26 173.63 1q2r s MET 32 N 0.78 0.97 0.28 1.61 -1.94 0.36 -1.55 119.30 119.81 1q2r s MET 32 Ca 0.34 -1.44 0.01 0.00 -1.71 0.00 0.00 55.69 52.90 1q2r s MET 32 Cb -0.17 -0.22 0.57 0.00 2.01 0.00 0.00 34.83 37.02 1q2r s MET 32 CO 0.16 -0.08 1.82 0.87 -0.01 0.00 0.00 175.02 177.78 1q2r h LYS 33 N 2.83 0.89 0.00 2.03 1.57 -1.62 -0.86 116.57 121.42 1q2r h LYS 33 Ca -0.36 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1q2r h LYS 33 Cb 1.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1q2r h LYS 33 CO 0.63 0.59 0.00 0.54 -0.57 0.00 0.00 179.45 180.65 1q2r n ARG 34 N -4.67 0.08 -2.99 3.15 1.74 -1.26 -4.53 116.66 108.17 1q2r n ARG 34 Ca 0.19 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1q2r n ARG 34 Cb 0.39 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1q2r n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q2r n GLY 35 N 1.40 -1.80 3.87 -0.13 0.00 -0.33 -4.29 105.19 103.91 1q2r n GLY 35 Ca 0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1q2r n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q2r s VAL 36 N -1.88 4.99 -0.23 1.61 -7.23 -1.26 -0.49 120.40 115.91 1q2r s VAL 36 Ca 0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1q2r s VAL 36 Cb 0.00 -3.48 0.06 0.00 0.56 0.00 0.00 36.38 33.52 1q2r s VAL 36 CO 0.00 0.03 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.15 1q2r s ILE 37 N -1.58 1.39 0.09 -0.62 1.01 0.74 -4.86 121.20 117.37 1q2r s ILE 37 Ca 0.33 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 1q2r s ILE 37 Cb -0.12 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1q2r s ILE 37 CO 0.26 -0.11 1.04 -0.13 0.00 0.00 0.00 174.94 175.99 1q2r s ARG 38 N 1.46 4.60 0.17 2.79 0.52 -1.26 -0.06 118.95 127.16 1q2r s ARG 38 Ca -0.05 1.56 0.10 0.00 -0.52 0.00 0.00 55.73 56.82 1q2r s ARG 38 Cb -0.19 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 1q2r s ARG 38 CO -0.06 0.05 -0.23 0.95 0.02 0.00 0.00 175.30 176.02 1q2r s THR 39 N 0.33 2.14 0.56 0.02 -4.23 0.96 -3.60 115.64 111.83 1q2r s THR 39 Ca 0.51 -1.91 -0.21 0.00 -1.18 0.00 0.00 61.69 58.90 1q2r s THR 39 Cb -0.25 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 1q2r s THR 39 CO 0.31 -0.12 1.24 -2.65 -0.54 0.00 0.00 174.62 172.85 1q2r n PRO 40 N 0.47 1.41 -4.25 3.99 -0.02 -1.26 -1.65 135.00 133.69 1q2r n PRO 40 Ca -0.14 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 1q2r n PRO 40 Cb 0.55 -2.44 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 1q2r n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q2r s ALA 41 N -1.35 0.96 -0.15 3.55 0.00 -0.03 -4.87 121.76 119.88 1q2r s ALA 41 Ca 0.73 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1q2r s ALA 41 Cb -0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1q2r s ALA 41 CO 0.48 0.15 -0.07 0.12 0.00 0.00 0.00 175.76 176.45 1q2r s PHE 42 N -0.92 2.95 -0.32 0.00 5.36 -1.26 -0.70 117.98 123.10 1q2r s PHE 42 Ca -0.01 -0.44 -0.10 0.00 -0.96 0.00 0.00 56.93 55.43 1q2r s PHE 42 Cb -0.08 -1.93 -0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1q2r s PHE 42 CO 0.01 -0.12 0.15 -1.64 -1.46 0.00 0.00 175.22 172.17 1q2r s MET 43 N 0.42 3.29 0.30 10.12 -1.94 0.97 -4.76 119.30 127.69 1q2r s MET 43 Ca -0.06 -0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 52.88 1q2r s MET 43 Cb -0.15 -3.57 -0.10 0.00 2.01 0.00 0.00 34.83 33.02 1q2r s MET 43 CO 0.04 -0.44 1.42 -2.14 -0.01 0.00 0.00 175.02 173.89 1q2r s PRO 44 N 1.61 4.25 0.02 2.03 0.02 -1.25 -3.98 135.00 137.70 1q2r s PRO 44 Ca 0.04 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 1q2r s PRO 44 Cb -0.17 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 1q2r s PRO 44 CO 0.06 -0.39 1.01 0.08 -0.33 0.00 0.00 177.00 177.44 1q2r s VAL 45 N -0.52 4.72 -0.55 3.83 1.01 -1.25 -1.48 120.40 126.15 1q2r s VAL 45 Ca 0.56 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.57 1q2r s VAL 45 Cb -0.42 -4.26 0.31 0.00 0.00 0.00 0.00 36.38 32.00 1q2r s VAL 45 CO 0.50 0.16 0.82 0.61 0.00 0.00 0.00 175.10 177.19 1q2r n GLY 46 N 2.91 4.82 0.04 4.51 0.00 0.13 -4.47 105.19 113.13 1q2r n GLY 46 Ca 0.06 -2.50 -0.01 0.00 0.00 0.00 0.00 46.02 43.57 1q2r n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q2r h THR 47 N 2.64 0.00 -0.00 2.61 2.02 -1.73 -2.76 112.91 115.70 1q2r h THR 47 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1q2r h THR 47 Cb 0.65 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1q2r h THR 47 CO 0.74 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.63 1q2r n ALA 48 N -2.75 3.34 -2.35 6.16 0.00 -1.26 -4.23 120.51 119.43 1q2r n ALA 48 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1q2r n ALA 48 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1q2r n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q2r n ALA 49 N 1.05 -0.43 -3.56 0.00 0.00 -1.04 -4.98 120.51 111.55 1q2r n ALA 49 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1q2r n ALA 49 Cb 0.50 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 1q2r n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1q2r s THR 50 N -2.71 0.00 -0.54 0.00 -1.32 -1.24 -4.74 115.64 105.09 1q2r s THR 50 Ca 0.04 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.34 1q2r s THR 50 Cb -0.02 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.06 1q2r s THR 50 CO 0.05 0.00 0.60 -0.69 -2.21 0.00 0.00 174.62 172.37 1q2r s VAL 51 N -1.05 4.97 -0.07 5.08 1.01 -1.26 -3.68 120.40 125.40 1q2r s VAL 51 Ca -0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1q2r s VAL 51 Cb -0.01 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1q2r s VAL 51 CO 0.05 -0.90 0.28 0.29 0.00 0.00 0.00 175.10 174.81 1q2r n LYS 52 N 5.93 0.00 -1.27 2.72 4.76 -1.26 -0.91 118.16 128.13 1q2r n LYS 52 Ca -0.10 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.25 1q2r n LYS 52 Cb 0.43 -0.20 -0.04 0.00 -1.84 0.00 0.00 35.03 33.38 1q2r n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q2r n ALA 53 N 0.96 -0.14 -3.06 7.82 0.00 -1.26 -4.97 120.51 119.86 1q2r n ALA 53 Ca 0.07 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1q2r n ALA 53 Cb -0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.09 1q2r n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q2r s LEU 54 N -2.09 1.76 0.56 0.00 1.43 -0.09 -4.59 118.68 115.66 1q2r s LEU 54 Ca 0.00 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 1q2r s LEU 54 Cb 0.00 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.85 1q2r s LEU 54 CO 0.00 0.02 1.04 -0.54 0.23 0.00 0.00 176.35 177.10 1q2r s LYS 55 N 0.23 3.52 0.22 1.70 1.02 -1.26 -4.42 119.74 120.75 1q2r s LYS 55 Ca -0.02 1.19 -0.07 0.00 0.02 0.00 0.00 55.97 57.08 1q2r s LYS 55 Cb -0.06 -2.06 0.33 0.00 -0.52 0.00 0.00 37.83 35.51 1q2r s LYS 55 CO -0.00 -0.65 1.78 -1.35 -0.92 0.00 0.00 175.35 174.21 1q2r h PRO 56 N 0.73 0.59 -0.81 -1.68 0.11 -1.86 -1.49 132.00 127.58 1q2r h PRO 56 Ca -0.47 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.72 1q2r h PRO 56 Cb 1.21 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1q2r h PRO 56 CO 0.58 0.39 0.43 1.05 -0.21 0.00 0.00 178.00 180.24 1q2r h GLU 57 N 0.61 0.66 -0.42 1.05 9.09 -1.92 0.24 114.58 123.89 1q2r h GLU 57 Ca 0.34 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.61 1q2r h GLU 57 Cb 0.35 -0.15 -0.02 0.00 -1.65 0.00 0.00 28.75 27.29 1q2r h GLU 57 CO -0.26 0.44 -0.15 1.15 0.05 0.00 0.00 179.01 180.23 1q2r h THR 58 N 0.68 1.26 -0.29 -1.06 2.02 -1.67 0.02 112.91 113.88 1q2r h THR 58 Ca 0.41 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1q2r h THR 58 Cb 0.48 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1q2r h THR 58 CO -0.30 0.42 0.15 0.58 0.37 0.00 0.00 175.52 176.74 1q2r h VAL 59 N 0.70 1.13 0.08 3.16 2.07 -0.45 -2.21 116.25 120.73 1q2r h VAL 59 Ca 0.11 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1q2r h VAL 59 Cb 0.65 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1q2r h VAL 59 CO 0.05 0.13 -0.09 -0.09 0.02 0.00 0.00 177.57 177.59 1q2r h ARG 60 N 0.35 -0.18 -0.88 1.57 9.65 -0.76 -2.71 114.38 121.42 1q2r h ARG 60 Ca 0.10 0.01 0.23 0.00 -1.10 0.00 0.00 59.98 59.23 1q2r h ARG 60 Cb 0.08 0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 28.56 1q2r h ARG 60 CO -0.02 -0.12 0.22 0.00 2.80 0.00 0.00 179.97 182.85 1q2r h ALA 61 N 0.72 1.25 0.00 2.80 0.00 -0.68 0.51 119.26 123.86 1q2r h ALA 61 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1q2r h ALA 61 Cb 0.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q2r h ALA 61 CO -0.03 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.00 1q2r n THR 62 N -5.24 1.49 0.00 0.00 -2.24 -0.86 -4.81 114.28 102.62 1q2r n THR 62 Ca 0.21 0.56 0.00 0.00 -2.27 0.00 0.00 64.05 62.55 1q2r n THR 62 Cb 0.68 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1q2r n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q2r n GLY 63 N -1.23 0.86 3.76 3.38 0.00 0.18 -4.68 105.19 107.46 1q2r n GLY 63 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1q2r n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2r s ALA 64 N -2.00 3.43 -0.32 4.61 0.00 -1.21 -4.92 121.76 121.35 1q2r s ALA 64 Ca 0.00 1.07 0.11 0.00 0.00 0.00 0.00 51.96 53.14 1q2r s ALA 64 Cb 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1q2r s ALA 64 CO 0.00 -0.40 0.39 -0.25 0.00 0.00 0.00 175.76 175.49 1q2r n ASP 65 N 0.93 1.29 -3.58 0.00 8.00 -1.26 -4.64 116.55 117.28 1q2r n ASP 65 Ca -0.00 -0.44 -0.16 0.00 0.71 0.00 0.00 54.79 54.90 1q2r n ASP 65 Cb 0.44 1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.69 1q2r n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1q2r s ILE 66 N -2.38 0.00 0.31 0.53 2.07 -1.26 -4.26 121.20 116.21 1q2r s ILE 66 Ca 0.01 -0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.35 1q2r s ILE 66 Cb 0.08 -0.99 -0.06 0.00 0.13 0.00 0.00 42.46 41.62 1q2r s ILE 66 CO 0.47 -0.00 -0.14 0.27 -1.91 0.00 0.00 174.94 173.63 1q2r s ILE 67 N -0.33 2.35 -0.08 2.00 -4.36 -1.23 -3.86 121.20 115.68 1q2r s ILE 67 Ca -0.05 -2.30 -0.01 0.00 -0.26 0.00 0.00 60.65 58.03 1q2r s ILE 67 Cb -0.03 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 1q2r s ILE 67 CO 0.05 -0.30 -0.04 -0.22 0.24 0.00 0.00 174.94 174.68 1q2r s LEU 68 N -3.56 3.33 0.20 0.37 0.20 -0.55 -1.65 118.68 117.03 1q2r s LEU 68 Ca 0.31 0.03 0.09 0.00 0.69 0.00 0.00 54.13 55.25 1q2r s LEU 68 Cb -0.01 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 43.96 1q2r s LEU 68 CO 0.16 0.35 -0.16 -0.83 -0.29 0.00 0.00 176.35 175.57 1q2r s GLY 69 N -0.73 1.48 -0.11 7.98 0.00 -0.30 0.22 107.32 115.86 1q2r s GLY 69 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1q2r s GLY 69 CO 0.02 -1.73 -0.11 -1.31 0.00 0.00 0.00 173.10 169.97 1q2r s ASN 70 N -3.16 4.19 0.05 1.64 -0.87 -1.26 -1.84 114.94 113.69 1q2r s ASN 70 Ca 0.22 -0.24 -0.24 0.00 -1.57 0.00 0.00 52.86 51.03 1q2r s ASN 70 Cb -0.03 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.25 39.62 1q2r s ASN 70 CO 0.08 0.23 1.55 0.74 -2.57 0.00 0.00 177.10 177.12 1q2r h THR 71 N 5.00 1.16 -0.11 1.60 2.02 -1.77 -2.38 112.91 118.44 1q2r h THR 71 Ca -0.33 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1q2r h THR 71 Cb 1.19 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 1q2r h THR 71 CO 0.55 0.13 -0.36 0.22 0.37 0.00 0.00 175.52 176.42 1q2r h TYR 72 N -0.19 -1.02 -0.23 3.16 3.20 -1.82 0.34 116.97 120.41 1q2r h TYR 72 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1q2r h TYR 72 Cb 0.20 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1q2r h TYR 72 CO -0.01 -0.44 0.08 0.45 -1.64 0.00 0.00 178.16 176.61 1q2r h HIS 73 N -0.45 0.36 0.00 -3.82 3.86 -1.89 -3.14 115.15 110.06 1q2r h HIS 73 Ca 0.08 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1q2r h HIS 73 Cb 0.59 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1q2r h HIS 73 CO -0.43 0.41 -0.35 -0.07 0.86 0.00 0.00 177.93 178.35 1q2r h LEU 74 N 0.20 0.00 -0.55 2.43 3.38 -1.31 -2.53 115.31 116.93 1q2r h LEU 74 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1q2r h LEU 74 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1q2r h LEU 74 CO -0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.87 1q2r h MET 75 N 0.00 0.00 0.04 1.13 -0.00 -0.88 -0.01 114.93 115.20 1q2r h MET 75 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 59.70 59.34 1q2r h MET 75 Cb 0.82 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.37 1q2r h MET 75 CO 0.05 0.00 -2.15 1.28 -0.00 0.00 0.00 176.91 176.09 1q2r n LEU 76 N -2.49 1.79 -3.65 -0.10 4.77 -1.09 -4.29 117.00 111.93 1q2r n LEU 76 Ca 0.03 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 1q2r n LEU 76 Cb 0.34 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1q2r n LEU 76 CO 0.26 0.70 0.25 -0.60 -1.33 0.00 0.00 177.39 176.67 1q2r s ARG 77 N -2.54 0.59 0.00 3.23 3.52 -0.97 -4.47 118.95 118.30 1q2r s ARG 77 Ca -0.19 1.20 0.28 0.00 -0.13 0.00 0.00 55.73 56.89 1q2r s ARG 77 Cb 0.07 0.31 1.15 0.00 -1.56 0.00 0.00 34.95 34.93 1q2r s ARG 77 CO 0.75 -0.17 1.86 -0.35 -0.81 0.00 0.00 175.30 176.57 1q2r n PRO 78 N 4.69 0.05 0.00 5.12 -0.04 -1.22 -3.93 135.00 139.68 1q2r n PRO 78 Ca -0.18 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1q2r n PRO 78 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1q2r n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q2r n GLY 79 N 1.48 3.65 0.44 0.55 0.00 -0.03 -4.74 105.19 106.54 1q2r n GLY 79 Ca 0.08 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 1q2r n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2r h ALA 80 N 0.00 -1.11 -0.61 4.61 0.00 -1.74 -1.09 119.26 119.32 1q2r h ALA 80 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1q2r h ALA 80 Cb 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1q2r h ALA 80 CO 0.00 -1.11 0.33 0.93 0.00 0.00 0.00 179.25 179.40 1q2r h GLU 81 N -1.13 0.61 -0.05 0.00 3.07 -1.94 -1.75 114.58 113.38 1q2r h GLU 81 Ca -0.11 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 1q2r h GLU 81 Cb 0.85 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1q2r h GLU 81 CO 0.19 0.40 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.06 1q2r h ARG 82 N 0.63 -0.06 -0.96 2.33 2.43 -1.83 0.25 114.38 117.17 1q2r h ARG 82 Ca 0.27 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 1q2r h ARG 82 Cb 0.16 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 1q2r h ARG 82 CO -0.17 -0.04 0.62 0.82 -1.51 0.00 0.00 179.97 179.69 1q2r h ILE 83 N -0.06 1.01 -0.13 1.20 2.04 -0.89 0.15 117.51 120.83 1q2r h ILE 83 Ca 0.04 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1q2r h ILE 83 Cb 0.12 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 1q2r h ILE 83 CO -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1q2r h ALA 84 N 1.51 0.09 0.00 1.87 0.00 -0.52 0.39 119.26 122.60 1q2r h ALA 84 Ca 0.44 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1q2r h ALA 84 Cb 0.31 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1q2r h ALA 84 CO -0.19 -0.48 -0.01 -0.22 0.00 0.00 0.00 179.25 178.35 1q2r h LYS 85 N 0.01 0.00 -0.00 0.00 3.64 0.99 -1.01 116.57 120.20 1q2r h LYS 85 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1q2r h LYS 85 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1q2r h LYS 85 CO -0.13 0.01 -0.04 1.28 -2.27 0.00 0.00 179.45 178.31 1q2r n LEU 86 N -4.50 0.17 0.00 5.20 7.99 0.34 -4.88 117.00 121.32 1q2r n LEU 86 Ca -0.03 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1q2r n LEU 86 Cb 0.10 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1q2r n LEU 86 CO 0.34 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 1q2r n GLY 87 N 1.24 1.28 0.00 -0.72 0.00 -0.38 -4.72 105.19 101.89 1q2r n GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1q2r n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2r n GLY 88 N -1.07 0.22 0.15 -0.02 0.00 -0.03 -4.40 105.19 100.04 1q2r n GLY 88 Ca 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 1q2r n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q2r h LEU 89 N 0.00 -0.32 -0.51 0.99 5.85 -1.07 -0.46 115.31 119.79 1q2r h LEU 89 Ca 0.00 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1q2r h LEU 89 Cb 0.00 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 1q2r h LEU 89 CO 0.00 -0.11 -0.34 0.45 -0.34 0.00 0.00 178.44 178.10 1q2r h HIS 90 N -0.01 -0.94 -0.04 1.25 3.86 -1.79 -0.67 115.15 116.82 1q2r h HIS 90 Ca 0.15 0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 59.26 1q2r h HIS 90 Cb 0.25 0.49 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1q2r h HIS 90 CO -0.31 -0.38 -0.72 0.66 0.86 0.00 0.00 177.93 178.04 1q2r h SER 91 N -0.20 0.28 -0.02 2.45 4.64 -1.72 -1.52 113.55 117.46 1q2r h SER 91 Ca 0.20 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1q2r h SER 91 Cb 0.55 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1q2r h SER 91 CO -0.62 0.91 -0.13 0.15 -0.87 0.00 0.00 176.83 176.27 1q2r h PHE 92 N 0.16 -0.34 0.00 4.77 3.57 0.02 -3.17 116.94 121.95 1q2r h PHE 92 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1q2r h PHE 92 Cb 1.28 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1q2r h PHE 92 CO 0.03 -0.20 -0.82 0.00 -2.23 0.00 0.00 178.31 175.09 1q2r n MET 93 N -5.26 0.14 -0.43 1.11 0.00 -0.36 -4.99 117.12 107.32 1q2r n MET 93 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1q2r n MET 93 Cb 0.18 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 31.85 1q2r n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1q2r n GLY 94 N 1.43 0.74 3.25 3.17 0.00 -0.64 -4.76 105.19 108.38 1q2r n GLY 94 Ca 0.04 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1q2r n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1q2r s TRP 95 N -2.00 3.22 -2.21 1.61 -0.11 -0.77 -4.79 118.94 113.89 1q2r s TRP 95 Ca 0.00 -1.48 0.26 0.00 1.22 0.00 0.00 56.10 56.10 1q2r s TRP 95 Cb 0.00 -2.21 0.66 0.00 -1.50 0.00 0.00 33.47 30.43 1q2r s TRP 95 CO 0.00 -0.72 1.51 -0.40 -4.62 0.00 0.00 176.95 172.72 1q2r n ASP 96 N 4.76 1.59 -4.93 5.86 5.75 -1.26 -4.48 116.55 123.84 1q2r n ASP 96 Ca -0.13 -1.33 -0.24 0.00 -0.01 0.00 0.00 54.79 53.08 1q2r n ASP 96 Cb 0.45 0.12 0.06 0.00 -1.03 0.00 0.00 41.12 40.72 1q2r n ASP 96 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1q2r s ARG 97 N -2.27 2.30 0.74 0.11 1.81 -1.26 -4.85 118.95 115.53 1q2r s ARG 97 Ca 0.28 -0.48 -0.16 0.00 -1.72 0.00 0.00 55.73 53.66 1q2r s ARG 97 Cb 0.20 -2.29 -0.00 0.00 -0.45 0.00 0.00 34.95 32.40 1q2r s ARG 97 CO 0.44 -1.05 0.80 -0.35 -0.68 0.00 0.00 175.30 174.46 1q2r n PRO 98 N -2.70 0.36 -4.04 3.54 -0.04 -1.26 -4.93 135.00 125.93 1q2r n PRO 98 Ca 0.08 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.56 1q2r n PRO 98 Cb 0.60 -2.08 -0.15 0.00 -0.04 0.00 0.00 33.50 31.83 1q2r n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1q2r s ILE 99 N -1.91 0.28 -0.15 0.52 1.01 -1.26 -3.48 121.20 116.21 1q2r s ILE 99 Ca 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 61.22 1q2r s ILE 99 Cb -0.34 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1q2r s ILE 99 CO 0.54 0.11 -0.04 -0.22 0.00 0.00 0.00 174.94 175.34 1q2r s LEU 100 N 0.30 3.26 -0.19 2.97 0.20 -0.66 -1.53 118.68 123.04 1q2r s LEU 100 Ca -0.03 -0.11 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 1q2r s LEU 100 Cb -0.06 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 1q2r s LEU 100 CO -0.01 0.18 -0.09 0.42 -0.29 0.00 0.00 176.35 176.57 1q2r s THR 101 N 0.29 3.13 0.62 3.68 -4.23 -0.68 -1.15 115.64 117.29 1q2r s THR 101 Ca -0.03 -0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1q2r s THR 101 Cb -0.14 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1q2r s THR 101 CO 0.03 0.47 1.15 -0.62 -0.54 0.00 0.00 174.62 175.10 1q2r s ASP 102 N 1.10 5.21 0.00 3.99 2.15 -0.77 -3.07 116.67 125.29 1q2r s ASP 102 Ca 0.01 2.18 0.25 0.00 0.43 0.00 0.00 52.55 55.42 1q2r s ASP 102 Cb -0.15 -2.57 1.13 0.00 -0.30 0.00 0.00 42.92 41.03 1q2r s ASP 102 CO -0.02 -1.57 1.82 -1.54 -0.17 0.00 0.00 175.17 173.70 1q2r n SER 103 N -1.93 0.00 0.00 -0.34 3.41 -1.26 -2.40 113.62 111.10 1q2r n SER 103 Ca 0.12 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1q2r n SER 103 Cb 0.51 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1q2r n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q2r n GLY 104 N 1.06 0.81 0.36 5.00 0.00 -1.26 -4.61 105.19 106.55 1q2r n GLY 104 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1q2r n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q2r h GLY 105 N 0.00 1.15 0.90 -0.02 0.00 -1.90 -1.11 103.07 102.09 1q2r h GLY 105 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 47.33 46.63 1q2r h GLY 105 CO 0.00 0.29 -1.61 -1.82 0.00 0.00 0.00 176.54 173.40 1q2r h TYR 106 N 0.93 0.72 -0.85 5.60 3.20 -1.90 -3.32 116.97 121.34 1q2r h TYR 106 Ca 0.34 -0.52 0.07 0.00 3.14 0.00 0.00 58.73 61.76 1q2r h TYR 106 Cb 0.17 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1q2r h TYR 106 CO -0.00 1.62 0.55 1.96 -1.64 0.00 0.00 178.16 180.66 1q2r h GLN 107 N 0.02 0.91 0.52 1.82 1.08 -1.89 0.54 115.11 118.11 1q2r h GLN 107 Ca -0.31 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 1q2r h GLN 107 Cb 2.03 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 29.26 1q2r h GLN 107 CO 0.17 0.60 -0.25 0.28 -0.95 0.00 0.00 178.83 178.69 1q2r h VAL 108 N 0.94 0.47 -0.50 -0.54 2.07 -1.35 -1.46 116.25 115.88 1q2r h VAL 108 Ca 0.37 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1q2r h VAL 108 Cb 0.23 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1q2r h VAL 108 CO -0.13 0.03 0.33 -0.03 0.02 0.00 0.00 177.57 177.78 1q2r h MET 109 N -0.80 0.65 -0.66 1.57 1.85 -1.56 -2.12 114.93 113.85 1q2r h MET 109 Ca -0.07 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 59.06 1q2r h MET 109 Cb 0.58 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 1q2r h MET 109 CO 0.12 0.43 0.44 1.03 -0.40 0.00 0.00 176.91 178.53 1q2r h SER 110 N 0.67 0.51 0.00 1.39 0.87 0.27 -3.39 113.55 113.88 1q2r h SER 110 Ca 0.18 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 1q2r h SER 110 Cb -0.08 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 61.64 1q2r h SER 110 CO -0.04 0.32 -0.28 0.00 -0.53 0.00 0.00 176.83 176.30 1q2r n LEU 111 N -4.48 -1.59 0.00 2.23 -0.00 -0.56 -5.06 117.00 107.54 1q2r n LEU 111 Ca 0.10 -3.22 0.00 0.00 -0.00 0.00 0.00 56.01 52.89 1q2r n LEU 111 Cb 0.30 0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1q2r n LEU 111 CO 0.34 1.75 0.00 -1.20 -0.00 0.00 0.00 177.39 178.28 1q2r n SER 112 N -1.14 0.00 0.00 1.45 7.64 -0.81 -4.45 113.62 116.31 1q2r n SER 112 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1q2r n SER 112 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1q2r n SER 112 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1q2r n SER 113 N 0.00 0.00 -4.29 6.43 2.88 -1.22 -4.68 113.62 112.74 1q2r n SER 113 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1q2r n SER 113 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1q2r n SER 113 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1q2r n LEU 114 N 0.00 -1.40 -4.58 2.46 4.77 -1.26 -0.43 117.00 116.57 1q2r n LEU 114 Ca 0.00 -1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 54.45 1q2r n LEU 114 Cb 0.00 -1.87 -0.03 0.00 -2.33 0.00 0.00 43.42 39.19 1q2r n LEU 114 CO 0.00 0.29 1.78 0.42 -1.33 0.00 0.00 177.39 178.55 1q2r s THR 115 N -3.59 3.19 -0.63 -5.08 -4.23 -1.25 -4.31 115.64 99.73 1q2r s THR 115 Ca 0.51 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 1q2r s THR 115 Cb -0.29 -3.33 0.15 0.00 1.34 0.00 0.00 72.50 70.36 1q2r s THR 115 CO 0.96 -0.27 0.63 -0.75 -0.54 0.00 0.00 174.62 174.66 1q2r s LYS 116 N 6.84 3.17 0.04 3.99 2.36 0.59 -4.90 119.74 131.83 1q2r s LYS 116 Ca 0.89 -1.81 -0.17 0.00 -2.55 0.00 0.00 55.97 52.33 1q2r s LYS 116 Cb -0.22 -4.35 -0.06 0.00 -1.05 0.00 0.00 37.83 32.15 1q2r s LYS 116 CO 0.30 -1.38 0.48 -0.65 1.55 0.00 0.00 175.35 175.65 1q2r s GLN 117 N 1.54 4.04 0.18 4.03 -0.21 -1.26 -0.01 119.66 127.97 1q2r s GLN 117 Ca 0.09 0.55 -0.17 0.00 0.02 0.00 0.00 55.36 55.85 1q2r s GLN 117 Cb -0.23 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.60 1q2r s GLN 117 CO 0.00 0.66 0.50 -1.54 -2.12 0.00 0.00 175.29 172.79 1q2r s SER 118 N -1.13 -0.27 0.53 5.90 1.04 -0.95 -5.00 113.70 113.81 1q2r s SER 118 Ca 0.27 -0.42 0.21 0.00 0.48 0.00 0.00 55.95 56.49 1q2r s SER 118 Cb -0.18 0.56 1.35 0.00 0.10 0.00 0.00 66.02 67.85 1q2r s SER 118 CO 0.16 -1.00 2.07 -0.08 0.98 0.00 0.00 173.24 175.37 1q2r h GLU 119 N 2.22 0.00 -0.08 4.02 4.57 -2.02 -2.17 114.58 121.12 1q2r h GLU 119 Ca -0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1q2r h GLU 119 Cb 1.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1q2r h GLU 119 CO 0.40 0.00 0.00 1.49 -1.18 0.00 0.00 179.01 179.72 1q2r h GLU 120 N 0.00 0.14 0.00 1.92 4.22 -1.99 -3.49 114.58 115.38 1q2r h GLU 120 Ca 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1q2r h GLU 120 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1q2r h GLU 120 CO -0.00 0.39 0.00 0.41 -2.18 0.00 0.00 179.01 177.63 1q2r n GLY 121 N -0.32 1.02 3.63 1.92 0.00 -0.82 -4.68 105.19 105.95 1q2r n GLY 121 Ca -0.06 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1q2r n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q2r s VAL 122 N 1.89 0.00 -0.11 1.61 0.11 -0.08 -2.24 120.40 121.57 1q2r s VAL 122 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1q2r s VAL 122 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1q2r s VAL 122 CO 0.00 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.70 1q2r s THR 123 N 0.28 2.62 0.38 5.04 2.01 0.99 -0.38 115.64 126.58 1q2r s THR 123 Ca 0.02 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1q2r s THR 123 Cb -0.05 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1q2r s THR 123 CO -0.03 0.54 0.21 0.72 -0.69 0.00 0.00 174.62 175.37 1q2r s PHE 124 N 0.27 1.78 -0.19 4.92 -0.71 -0.29 0.22 117.98 123.98 1q2r s PHE 124 Ca -0.13 -1.51 0.01 0.00 -1.04 0.00 0.00 56.93 54.26 1q2r s PHE 124 Cb -0.16 -0.94 0.02 0.00 -1.21 0.00 0.00 43.02 40.73 1q2r s PHE 124 CO 0.07 -0.61 -0.18 0.21 -1.34 0.00 0.00 175.22 173.37 1q2r s LYS 125 N -3.54 2.99 -0.03 1.99 2.20 0.43 -1.47 119.74 122.32 1q2r s LYS 125 Ca 0.31 -0.84 -0.39 0.00 -0.36 0.00 0.00 55.97 54.69 1q2r s LYS 125 Cb 0.02 -2.64 -0.18 0.00 -1.51 0.00 0.00 37.83 33.52 1q2r s LYS 125 CO 0.21 -0.23 1.27 0.45 -0.36 0.00 0.00 175.35 176.69 1q2r n SER 126 N 4.63 0.91 0.00 1.43 2.88 -0.43 -3.45 113.62 119.59 1q2r n SER 126 Ca -0.20 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.55 1q2r n SER 126 Cb 0.50 -1.04 0.35 0.00 -0.75 0.00 0.00 64.21 63.27 1q2r n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q2r n HIS 127 N 2.38 0.00 0.00 0.66 1.44 -1.26 -1.50 115.22 116.94 1q2r n HIS 127 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1q2r n HIS 127 Cb 0.12 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 29.89 1q2r n HIS 127 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1q2r n LEU 128 N -1.34 0.00 -0.08 2.39 -0.00 -1.26 -4.91 117.00 111.80 1q2r n LEU 128 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.97 1q2r n LEU 128 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.52 1q2r n LEU 128 CO 0.12 0.00 -0.69 -0.67 -0.00 0.00 0.00 177.39 176.15 1q2r n ASP 129 N -1.16 1.88 0.00 1.45 -0.08 -1.20 -5.04 116.55 112.40 1q2r n ASP 129 Ca 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1q2r n ASP 129 Cb 0.13 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1q2r n ASP 129 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q2r n GLY 130 N 1.58 0.78 3.79 0.27 0.00 -0.56 -4.97 105.19 106.07 1q2r n GLY 130 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1q2r n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q2r s SER 131 N -1.73 6.11 0.51 1.61 1.04 -1.26 -4.48 113.70 115.50 1q2r s SER 131 Ca 0.00 2.04 -0.17 0.00 0.48 0.00 0.00 55.95 58.30 1q2r s SER 131 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 1q2r s SER 131 CO 0.00 -0.95 0.99 -0.13 0.98 0.00 0.00 173.24 174.14 1q2r s ARG 132 N -3.21 3.90 -0.07 4.02 0.52 -1.26 -1.31 118.95 121.54 1q2r s ARG 132 Ca 0.69 1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 56.69 1q2r s ARG 132 Cb -0.20 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.19 1q2r s ARG 132 CO 0.23 -0.32 0.51 -1.01 0.02 0.00 0.00 175.30 174.74 1q2r s HIS 133 N -2.54 -0.46 -0.16 -0.53 3.76 -0.54 -4.92 115.29 109.90 1q2r s HIS 133 Ca 0.60 0.87 0.01 0.00 -0.15 0.00 0.00 55.06 56.39 1q2r s HIS 133 Cb -0.11 0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.83 1q2r s HIS 133 CO 0.30 -0.45 -0.17 1.41 -0.85 0.00 0.00 174.74 174.97 1q2r s MET 134 N -0.91 3.13 -0.04 1.40 1.75 -1.26 -1.14 119.30 122.23 1q2r s MET 134 Ca -0.10 -0.78 0.06 0.00 -1.25 0.00 0.00 55.69 53.62 1q2r s MET 134 Cb -0.03 -2.60 -0.02 0.00 2.84 0.00 0.00 34.83 35.02 1q2r s MET 134 CO 0.06 -0.06 -0.23 -1.17 -0.65 0.00 0.00 175.02 172.97 1q2r s LEU 135 N 0.98 2.23 0.11 4.11 2.96 0.48 -4.96 118.68 124.59 1q2r s LEU 135 Ca -0.03 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 1q2r s LEU 135 Cb -0.15 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1q2r s LEU 135 CO -0.04 0.30 0.30 -0.94 -1.32 0.00 0.00 176.35 174.65 1q2r s SER 136 N -0.48 -0.06 0.28 3.68 1.04 -1.26 -0.90 113.70 115.99 1q2r s SER 136 Ca 0.06 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 1q2r s SER 136 Cb -0.11 0.41 0.54 0.00 0.10 0.00 0.00 66.02 66.96 1q2r s SER 136 CO 0.01 -0.79 1.58 -0.65 0.98 0.00 0.00 173.24 174.36 1q2r h PRO 137 N 2.55 0.01 -0.12 4.02 0.11 -1.90 0.28 132.00 136.95 1q2r h PRO 137 Ca -0.34 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1q2r h PRO 137 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1q2r h PRO 137 CO 0.51 0.01 -0.48 1.05 -0.21 0.00 0.00 178.00 178.89 1q2r h GLU 138 N 0.01 0.31 -0.01 1.05 9.09 -1.94 -2.44 114.58 120.65 1q2r h GLU 138 Ca 0.50 -0.17 -0.21 0.00 0.05 0.00 0.00 59.36 59.52 1q2r h GLU 138 Cb 0.88 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1q2r h GLU 138 CO -0.92 0.73 -0.90 -0.09 0.05 0.00 0.00 179.01 177.88 1q2r h ARG 139 N 0.25 0.37 0.10 1.06 9.65 -1.04 -1.10 114.38 123.68 1q2r h ARG 139 Ca 0.01 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1q2r h ARG 139 Cb 0.94 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1q2r h ARG 139 CO 0.08 1.06 -0.05 1.03 2.80 0.00 0.00 179.97 184.89 1q2r h SER 140 N 0.22 -0.12 0.10 -3.80 0.87 -0.56 0.24 113.55 110.49 1q2r h SER 140 Ca -0.07 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1q2r h SER 140 Cb 1.52 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1q2r h SER 140 CO 0.15 0.14 -0.10 0.40 -0.53 0.00 0.00 176.83 176.89 1q2r h ILE 141 N -0.38 1.05 -0.27 2.23 1.08 -1.48 0.94 117.51 120.68 1q2r h ILE 141 Ca -0.01 -0.34 -0.19 0.00 -0.39 0.00 0.00 64.86 63.93 1q2r h ILE 141 Cb 0.31 1.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1q2r h ILE 141 CO 0.02 0.10 -0.57 -0.08 -0.69 0.00 0.00 178.15 176.93 1q2r h GLU 142 N 0.00 0.85 0.14 2.37 4.81 -0.61 -1.84 114.58 120.29 1q2r h GLU 142 Ca -0.00 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1q2r h GLU 142 Cb 0.17 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1q2r h GLU 142 CO 0.01 1.18 -0.07 0.82 -0.73 0.00 0.00 179.01 180.23 1q2r h ILE 143 N 0.64 1.02 -0.02 2.32 2.04 0.57 -2.46 117.51 121.62 1q2r h ILE 143 Ca 0.01 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1q2r h ILE 143 Cb 1.17 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1q2r h ILE 143 CO 0.12 0.17 0.07 1.56 0.00 0.00 0.00 178.15 180.07 1q2r h GLN 144 N -0.53 0.00 0.10 2.37 4.20 -0.87 0.25 115.11 120.63 1q2r h GLN 144 Ca -0.02 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.43 1q2r h GLN 144 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1q2r h GLN 144 CO 0.03 0.00 -1.18 1.25 -0.67 0.00 0.00 178.83 178.26 1q2r h HIS 145 N 0.00 0.51 -0.39 2.96 2.76 -1.07 -2.58 115.15 117.33 1q2r h HIS 145 Ca 0.01 -0.35 -0.09 0.00 -2.20 0.00 0.00 60.37 57.74 1q2r h HIS 145 Cb 0.15 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1q2r h HIS 145 CO 0.00 1.25 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.71 1q2r h LEU 146 N 0.10 0.77 -1.41 0.26 3.38 -0.10 -2.58 115.31 115.73 1q2r h LEU 146 Ca -0.12 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1q2r h LEU 146 Cb 1.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1q2r h LEU 146 CO 0.19 0.95 -0.14 -0.07 0.09 0.00 0.00 178.44 179.47 1q2r h LEU 147 N 0.57 0.21 0.00 1.67 3.38 -1.25 -3.37 115.31 116.52 1q2r h LEU 147 Ca 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1q2r h LEU 147 Cb 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1q2r h LEU 147 CO 0.04 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1q2r n GLY 148 N -0.88 0.66 3.60 0.83 0.00 -0.97 -0.57 105.19 107.86 1q2r n GLY 148 Ca -0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1q2r n GLY 148 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q2r n SER 149 N 0.99 0.28 -0.01 1.61 3.41 -1.06 -4.92 113.62 113.92 1q2r n SER 149 Ca 0.00 0.65 -0.21 0.00 -0.26 0.00 0.00 58.87 59.04 1q2r n SER 149 Cb 0.00 -1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 62.43 1q2r n SER 149 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1q2r h ASP 150 N -0.32 0.33 -3.65 4.04 3.32 -1.63 -3.44 116.42 115.07 1q2r h ASP 150 Ca -0.47 -0.82 -0.69 0.00 0.02 0.00 0.00 57.03 55.06 1q2r h ASP 150 Cb 1.33 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.46 1q2r h ASP 150 CO 0.46 1.66 -0.61 -0.63 -1.72 0.00 0.00 179.24 178.39 1q2r s ILE 151 N -2.48 3.45 -0.06 0.35 1.01 -0.90 0.55 121.20 123.12 1q2r s ILE 151 Ca -0.22 -1.43 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 1q2r s ILE 151 Cb 0.05 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1q2r s ILE 151 CO 0.74 -0.29 0.52 -0.69 0.00 0.00 0.00 174.94 175.22 1q2r s VAL 152 N 1.30 5.05 0.04 2.92 1.01 0.48 -1.69 120.40 129.51 1q2r s VAL 152 Ca -0.00 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 1q2r s VAL 152 Cb -0.21 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1q2r s VAL 152 CO -0.00 0.39 0.26 -0.04 0.00 0.00 0.00 175.10 175.71 1q2r s MET 153 N 0.08 3.54 0.70 2.72 -1.94 -1.17 -0.94 119.30 122.29 1q2r s MET 153 Ca 0.28 -0.18 -0.12 0.00 -1.71 0.00 0.00 55.69 53.96 1q2r s MET 153 Cb -0.17 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.66 1q2r s MET 153 CO 0.14 0.61 1.07 0.00 -0.01 0.00 0.00 175.02 176.83 1q2r s ALA 154 N -1.40 2.54 0.29 3.03 0.00 -0.75 -4.45 121.76 121.02 1q2r s ALA 154 Ca 0.31 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 1q2r s ALA 154 Cb -0.13 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1q2r s ALA 154 CO 0.20 -1.34 0.82 0.12 0.00 0.00 0.00 175.76 175.56 1q2r s PHE 155 N -2.86 3.59 0.10 0.00 5.36 -1.26 -4.51 117.98 118.39 1q2r s PHE 155 Ca 0.60 1.50 -0.15 0.00 -0.96 0.00 0.00 56.93 57.93 1q2r s PHE 155 Cb -0.16 -2.72 0.03 0.00 -0.34 0.00 0.00 43.02 39.83 1q2r s PHE 155 CO 0.52 0.22 0.37 0.16 -1.46 0.00 0.00 175.22 175.02 1q2r s ASP 156 N -1.79 -0.19 -0.19 6.13 -4.77 -1.26 -4.25 116.67 110.35 1q2r s ASP 156 Ca 0.49 -0.30 -0.15 0.00 -3.30 0.00 0.00 52.55 49.29 1q2r s ASP 156 Cb -0.15 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 42.07 1q2r s ASP 156 CO 0.20 -0.79 0.34 -0.70 0.70 0.00 0.00 175.17 174.92 1q2r s GLU 157 N -3.53 4.19 0.01 2.11 2.12 -1.26 -4.50 118.70 117.84 1q2r s GLU 157 Ca 0.01 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.50 1q2r s GLU 157 Cb 0.02 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1q2r s GLU 157 CO -0.10 0.06 -0.12 0.00 -0.54 0.00 0.00 175.26 174.57 1q2r s THR 159 N -0.93 2.80 1.19 0.00 -4.23 -1.26 -4.97 115.64 108.24 1q2r s THR 159 Ca 0.15 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 59.69 1q2r s THR 159 Cb -0.11 -2.10 0.22 0.00 1.34 0.00 0.00 72.50 71.85 1q2r s THR 159 CO 0.06 0.57 0.47 -0.81 -0.54 0.00 0.00 174.62 174.36 1q2r n PRO 160 N 2.82 -2.71 -4.71 3.99 -0.04 -1.26 -4.90 135.00 128.20 1q2r n PRO 160 Ca -0.17 -0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 62.17 1q2r n PRO 160 Cb 0.52 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 1q2r n PRO 160 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1q2r s TYR 161 N -2.20 2.85 0.76 0.54 5.04 -1.26 -3.67 117.35 119.40 1q2r s TYR 161 Ca 0.56 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.79 1q2r s TYR 161 Cb -0.13 -1.78 0.07 0.00 0.35 0.00 0.00 41.96 40.47 1q2r s TYR 161 CO 0.56 0.05 1.10 -2.14 -1.34 0.00 0.00 175.55 173.78 1q2r s PRO 162 N -0.20 2.09 -0.11 4.97 0.02 -1.26 -5.10 135.00 135.42 1q2r s PRO 162 Ca 0.01 -0.05 0.03 0.00 0.02 0.00 0.00 61.00 61.01 1q2r s PRO 162 Cb -0.13 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1q2r s PRO 162 CO 0.03 -1.42 -0.20 0.00 -0.33 0.00 0.00 177.00 175.08 1q2r s ALA 163 N -3.42 1.95 0.48 -1.55 0.00 -1.24 -5.11 121.76 112.86 1q2r s ALA 163 Ca 0.61 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 1q2r s ALA 163 Cb -0.11 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 1q2r s ALA 163 CO 0.47 0.10 1.26 0.95 0.00 0.00 0.00 175.76 178.54 1q2r s THR 164 N 0.65 2.65 0.36 0.00 -4.23 -1.26 -4.73 115.64 109.08 1q2r s THR 164 Ca -0.13 0.51 0.17 0.00 -1.18 0.00 0.00 61.69 61.06 1q2r s THR 164 Cb -0.16 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.76 1q2r s THR 164 CO 0.03 0.01 1.67 -0.65 -0.54 0.00 0.00 174.62 175.14 1q2r h PRO 165 N 1.99 0.30 0.48 3.99 0.11 -1.99 0.22 132.00 137.09 1q2r h PRO 165 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1q2r h PRO 165 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1q2r h PRO 165 CO 0.60 0.20 -0.23 0.66 -0.21 0.00 0.00 178.00 179.01 1q2r h SER 166 N 0.31 -0.55 -0.47 -2.05 4.64 -1.99 -1.54 113.55 111.90 1q2r h SER 166 Ca 0.73 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 62.08 1q2r h SER 166 Cb 1.76 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.97 1q2r h SER 166 CO -0.55 -0.14 0.32 -0.09 -0.87 0.00 0.00 176.83 175.50 1q2r h ARG 167 N -1.06 0.22 -0.29 4.77 2.43 -1.56 -0.13 114.38 118.76 1q2r h ARG 167 Ca -0.07 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.90 1q2r h ARG 167 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1q2r h ARG 167 CO 0.11 0.15 -0.55 0.00 -1.51 0.00 0.00 179.97 178.16 1q2r h ALA 168 N 1.76 0.46 0.03 2.80 0.00 -0.61 -2.85 119.26 120.86 1q2r h ALA 168 Ca 0.22 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1q2r h ALA 168 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q2r h ALA 168 CO -0.04 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1q2r h ALA 169 N 0.68 -0.05 -0.05 0.00 0.00 -0.01 -1.95 119.26 117.88 1q2r h ALA 169 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q2r h ALA 169 Cb 1.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1q2r h ALA 169 CO 0.12 -0.36 0.03 0.66 0.00 0.00 0.00 179.25 179.70 1q2r h SER 170 N -0.37 0.04 -0.76 0.00 4.64 -1.26 -0.50 113.55 115.34 1q2r h SER 170 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q2r h SER 170 Cb 0.34 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1q2r h SER 170 CO 0.01 0.03 0.48 0.77 -0.87 0.00 0.00 176.83 177.25 1q2r h SER 171 N 0.06 0.89 -0.16 4.97 4.64 -1.57 0.32 113.55 122.70 1q2r h SER 171 Ca 0.02 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1q2r h SER 171 Cb -0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1q2r h SER 171 CO -0.01 0.67 0.03 -0.03 -0.87 0.00 0.00 176.83 176.62 1q2r h MET 172 N 1.03 0.10 -0.72 4.77 -1.53 -1.08 0.28 114.93 117.78 1q2r h MET 172 Ca 0.27 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.51 1q2r h MET 172 Cb -0.07 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 30.92 1q2r h MET 172 CO -0.05 0.06 0.38 0.93 0.14 0.00 0.00 176.91 178.37 1q2r h GLU 173 N 0.10 1.01 -0.06 0.39 5.08 -0.51 0.20 114.58 120.79 1q2r h GLU 173 Ca 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1q2r h GLU 173 Cb 0.06 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1q2r h GLU 173 CO -0.09 0.77 0.04 -0.09 -1.00 0.00 0.00 179.01 178.64 1q2r h ARG 174 N 0.99 0.08 -0.62 2.33 9.65 0.04 -1.55 114.38 125.30 1q2r h ARG 174 Ca 0.25 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.19 1q2r h ARG 174 Cb 0.06 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 1q2r h ARG 174 CO -0.04 0.07 0.31 0.77 2.80 0.00 0.00 179.97 183.89 1q2r h SER 175 N 0.07 0.43 -0.61 -3.80 0.02 0.02 0.10 113.55 109.79 1q2r h SER 175 Ca 0.02 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1q2r h SER 175 Cb 0.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1q2r h SER 175 CO -0.00 0.27 0.32 0.24 -1.14 0.00 0.00 176.83 176.52 1q2r h MET 176 N 0.57 0.89 -0.24 3.45 2.86 -0.72 0.51 114.93 122.26 1q2r h MET 176 Ca 0.29 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1q2r h MET 176 Cb 0.24 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1q2r h MET 176 CO -0.21 0.68 0.01 0.00 1.06 0.00 0.00 176.91 178.45 1q2r h ARG 177 N 0.89 0.41 0.00 1.72 3.08 -0.12 -2.40 114.38 117.97 1q2r h ARG 177 Ca 0.22 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1q2r h ARG 177 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1q2r h ARG 177 CO -0.03 0.58 -0.23 -1.49 -1.07 0.00 0.00 179.97 177.72 1q2r h TRP 178 N 0.20 0.00 -0.93 3.04 6.55 -0.05 -1.58 115.95 123.18 1q2r h TRP 178 Ca 0.07 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.93 1q2r h TRP 178 Cb 0.38 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.63 1q2r h TRP 178 CO 0.03 0.23 0.61 0.00 -1.05 0.00 0.00 178.44 178.26 1q2r h ALA 179 N 1.77 1.37 -0.17 1.49 0.00 0.48 0.23 119.26 124.43 1q2r h ALA 179 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1q2r h ALA 179 Cb 0.43 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1q2r h ALA 179 CO 0.03 0.56 0.02 -0.22 0.00 0.00 0.00 179.25 179.65 1q2r h LYS 180 N 1.22 0.28 -0.69 0.00 1.63 -0.92 -0.22 116.57 117.87 1q2r h LYS 180 Ca 0.35 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1q2r h LYS 180 Cb -0.08 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1q2r h LYS 180 CO -0.09 0.46 0.26 0.00 -3.45 0.00 0.00 179.45 176.63 1q2r h ARG 181 N 0.06 1.04 0.06 1.90 3.08 -1.20 -0.72 114.38 118.60 1q2r h ARG 181 Ca 0.05 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1q2r h ARG 181 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1q2r h ARG 181 CO 0.00 0.87 -0.09 0.77 -1.07 0.00 0.00 179.97 180.45 1q2r h SER 182 N 0.98 -0.24 -0.16 7.04 0.02 -0.42 0.18 113.55 120.95 1q2r h SER 182 Ca 0.23 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1q2r h SER 182 Cb 0.23 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1q2r h SER 182 CO -0.02 -0.14 -0.13 -0.09 -1.14 0.00 0.00 176.83 175.31 1q2r h ARG 183 N -0.18 -0.14 -0.10 3.45 9.65 -0.70 0.14 114.38 126.49 1q2r h ARG 183 Ca 0.02 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1q2r h ARG 183 Cb 0.19 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1q2r h ARG 183 CO -0.05 -0.10 0.06 -0.44 2.80 0.00 0.00 179.97 182.25 1q2r h ASP 184 N -0.15 0.12 -0.55 -3.80 3.32 -0.91 -2.27 116.42 112.18 1q2r h ASP 184 Ca 0.10 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1q2r h ASP 184 Cb 0.30 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1q2r h ASP 184 CO -0.25 0.13 0.23 0.00 -1.72 0.00 0.00 179.24 177.64 1q2r h ALA 185 N 1.00 0.70 -0.62 3.45 0.00 -0.30 -0.30 119.26 123.19 1q2r h ALA 185 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1q2r h ALA 185 Cb 0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1q2r h ALA 185 CO -0.01 -0.15 0.41 0.35 0.00 0.00 0.00 179.25 179.85 1q2r h PHE 186 N 0.44 0.72 0.00 0.00 3.04 -0.50 -1.84 116.94 118.80 1q2r h PHE 186 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1q2r h PHE 186 Cb 0.26 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1q2r h PHE 186 CO -0.14 0.43 0.00 -0.44 -2.02 0.00 0.00 178.31 176.14 1q2r h ASP 187 N 0.75 0.00 0.14 0.41 3.32 -0.49 -3.24 116.42 117.31 1q2r h ASP 187 Ca 0.24 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1q2r h ASP 187 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1q2r h ASP 187 CO -0.06 0.00 -0.21 0.77 -1.72 0.00 0.00 179.24 178.01 1q2r h SER 188 N 0.00 0.13 -3.42 6.45 4.64 -0.46 -3.40 113.55 117.49 1q2r h SER 188 Ca 0.00 -0.03 -0.73 0.00 -0.47 0.00 0.00 61.79 60.56 1q2r h SER 188 Cb 0.72 -0.03 -0.21 0.00 -0.31 0.00 0.00 62.40 62.56 1q2r h SER 188 CO 0.00 0.36 -0.38 -0.13 -0.87 0.00 0.00 176.83 175.81 1q2r s ARG 189 N -4.55 2.98 0.13 4.77 0.52 -1.22 -4.97 118.95 116.60 1q2r s ARG 189 Ca -0.04 -1.14 -0.23 0.00 -0.52 0.00 0.00 55.73 53.80 1q2r s ARG 189 Cb 0.15 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 1q2r s ARG 189 CO 0.73 -0.87 1.66 0.87 0.02 0.00 0.00 175.30 177.71 1q2r h LYS 190 N 8.69 -0.24 -0.68 3.54 1.57 -1.87 0.28 116.57 127.85 1q2r h LYS 190 Ca -0.28 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1q2r h LYS 190 Cb 1.12 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 1q2r h LYS 190 CO 0.79 -0.16 -0.28 0.93 -0.57 0.00 0.00 179.45 180.16 1q2r h GLU 191 N -0.25 -0.08 0.66 3.15 4.39 -1.96 0.33 114.58 120.82 1q2r h GLU 191 Ca 0.08 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1q2r h GLU 191 Cb 0.36 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1q2r h GLU 191 CO -0.22 -0.05 -0.32 0.37 -1.16 0.00 0.00 179.01 177.63 1q2r h GLN 192 N -0.09 -0.86 -0.50 2.33 4.15 -1.73 -2.75 115.11 115.67 1q2r h GLN 192 Ca 0.29 0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.91 1q2r h GLN 192 Cb 0.55 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1q2r h GLN 192 CO -0.74 -0.57 0.42 0.00 -1.93 0.00 0.00 178.83 176.01 1q2r h ALA 193 N -1.37 2.33 0.00 3.38 0.00 -0.04 0.37 119.26 123.93 1q2r h ALA 193 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1q2r h ALA 193 Cb 0.68 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1q2r h ALA 193 CO 0.15 -0.68 -0.91 0.93 0.00 0.00 0.00 179.25 178.74 1q2r h GLU 194 N 0.00 0.00 0.00 0.00 5.08 -0.36 -3.39 114.58 115.90 1q2r h GLU 194 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1q2r h GLU 194 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1q2r h GLU 194 CO -0.00 0.10 -1.27 0.09 -1.00 0.00 0.00 179.01 176.93 1q2r n ASN 195 N -2.83 3.67 -4.86 1.42 3.02 -0.67 -4.80 115.26 110.20 1q2r n ASN 195 Ca -0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 1q2r n ASN 195 Cb 0.63 1.23 -0.04 0.00 -0.61 0.00 0.00 39.78 40.99 1q2r n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q2r s ALA 196 N -2.39 3.97 0.23 5.41 0.00 0.12 -4.79 121.76 124.32 1q2r s ALA 196 Ca -0.02 -1.85 0.11 0.00 0.00 0.00 0.00 51.96 50.20 1q2r s ALA 196 Cb 0.04 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1q2r s ALA 196 CO 0.24 -0.16 -0.18 0.00 0.00 0.00 0.00 175.76 175.66 1q2r s ALA 197 N -2.44 2.75 -0.02 0.00 0.00 0.19 -4.73 121.76 117.50 1q2r s ALA 197 Ca 0.46 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1q2r s ALA 197 Cb -0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1q2r s ALA 197 CO 0.27 0.36 -0.17 -1.17 0.00 0.00 0.00 175.76 175.05 1q2r s LEU 198 N -3.11 2.01 0.10 0.00 2.96 -1.26 -0.39 118.68 118.99 1q2r s LEU 198 Ca 0.26 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1q2r s LEU 198 Cb -0.07 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1q2r s LEU 198 CO 0.14 0.20 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.75 1q2r s PHE 199 N -0.32 2.34 -0.03 5.38 0.40 -0.11 -0.70 117.98 124.94 1q2r s PHE 199 Ca 0.05 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1q2r s PHE 199 Cb -0.08 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 1q2r s PHE 199 CO -0.00 0.27 -0.05 0.20 0.70 0.00 0.00 175.22 176.35 1q2r s GLY 200 N -1.79 1.77 -0.23 4.36 0.00 -0.72 -1.81 107.32 108.90 1q2r s GLY 200 Ca 0.14 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 1q2r s GLY 200 CO 0.05 -0.75 0.07 -0.42 0.00 0.00 0.00 173.10 172.05 1q2r s ILE 201 N -0.93 4.48 0.06 0.90 1.01 -1.26 -0.96 121.20 124.50 1q2r s ILE 201 Ca 0.15 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 1q2r s ILE 201 Cb -0.11 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 1q2r s ILE 201 CO 0.05 0.37 0.68 -1.58 0.00 0.00 0.00 174.94 174.46 1q2r s GLN 202 N 1.22 4.40 0.00 2.79 0.74 0.08 -4.89 119.66 124.00 1q2r s GLN 202 Ca 0.05 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.38 1q2r s GLN 202 Cb -0.14 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1q2r s GLN 202 CO 0.03 0.43 0.00 1.04 -0.55 0.00 0.00 175.29 176.25 1q2r n GLN 203 N 2.34 2.35 0.00 1.67 1.13 -1.26 -1.23 117.38 122.38 1q2r n GLN 203 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1q2r n GLN 203 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.85 1q2r n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q2r n GLY 204 N 5.00 0.89 7.00 1.08 0.00 -1.26 -4.13 105.19 113.77 1q2r n GLY 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q2r n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q2r n SER 205 N 0.00 0.00 0.20 1.61 2.88 -1.26 -2.66 113.62 114.39 1q2r n SER 205 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1q2r n SER 205 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 1q2r n SER 205 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1q2r h VAL 206 N 0.00 0.29 -3.08 2.46 2.07 -1.94 -3.45 116.25 112.60 1q2r h VAL 206 Ca 0.00 -1.33 -0.57 0.00 0.82 0.00 0.00 66.70 65.62 1q2r h VAL 206 Cb 0.00 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1q2r h VAL 206 CO 0.00 0.16 1.03 -0.36 0.02 0.00 0.00 177.57 178.42 1q2r s PHE 207 N -3.20 2.48 0.33 1.57 0.08 -1.09 -4.92 117.98 113.24 1q2r s PHE 207 Ca 0.05 0.75 0.16 0.00 0.12 0.00 0.00 56.93 58.02 1q2r s PHE 207 Cb 0.06 -4.01 0.81 0.00 -0.57 0.00 0.00 43.02 39.31 1q2r s PHE 207 CO 0.68 -2.06 1.84 1.05 -0.10 0.00 0.00 175.22 176.63 1q2r h GLU 208 N 9.97 0.00 -0.16 0.44 4.11 -1.87 -1.98 114.58 125.09 1q2r h GLU 208 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1q2r h GLU 208 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1q2r h GLU 208 CO 1.04 0.35 0.06 -2.95 0.07 0.00 0.00 179.01 177.58 1q2r h ASN 209 N 0.00 0.21 -0.37 3.06 -1.07 -1.94 0.73 115.58 116.20 1q2r h ASN 209 Ca -0.00 -0.16 0.02 0.00 0.07 0.00 0.00 56.30 56.24 1q2r h ASN 209 Cb 0.68 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 36.84 1q2r h ASN 209 CO 0.04 0.31 0.19 -0.07 0.07 0.00 0.00 177.43 177.98 1q2r h LEU 210 N 0.10 0.29 0.03 6.14 4.07 -1.82 0.55 115.31 124.67 1q2r h LEU 210 Ca 0.05 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.05 1q2r h LEU 210 Cb 0.16 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 1q2r h LEU 210 CO -0.00 0.21 -0.22 0.03 -1.08 0.00 0.00 178.44 177.38 1q2r h ARG 211 N 0.40 -0.35 -0.43 1.13 2.47 -0.91 0.18 114.38 116.88 1q2r h ARG 211 Ca 0.15 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.98 1q2r h ARG 211 Cb 0.05 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.37 1q2r h ARG 211 CO -0.10 -0.23 -0.11 0.37 0.56 0.00 0.00 179.97 180.46 1q2r h GLN 212 N -0.36 -0.01 0.43 0.04 5.75 0.11 0.49 115.11 121.56 1q2r h GLN 212 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1q2r h GLN 212 Cb 0.43 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1q2r h GLN 212 CO -0.18 -0.01 -0.33 1.96 -2.65 0.00 0.00 178.83 177.62 1q2r h GLN 213 N -0.01 -0.73 -0.87 1.69 4.20 -0.44 0.76 115.11 119.71 1q2r h GLN 213 Ca 0.21 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.19 1q2r h GLN 213 Cb 0.32 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.14 1q2r h GLN 213 CO -0.45 -0.49 0.30 1.03 -0.67 0.00 0.00 178.83 178.56 1q2r h SER 214 N -0.76 0.16 0.24 1.46 0.87 0.27 0.54 113.55 116.32 1q2r h SER 214 Ca -0.04 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1q2r h SER 214 Cb 0.65 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1q2r h SER 214 CO -0.00 -0.07 -0.12 0.00 -0.53 0.00 0.00 176.83 176.11 1q2r h ALA 215 N 1.73 -0.32 0.05 6.23 0.00 0.65 0.28 119.26 127.86 1q2r h ALA 215 Ca 0.54 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1q2r h ALA 215 Cb 1.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1q2r h ALA 215 CO -0.58 -0.60 -0.15 -0.44 0.00 0.00 0.00 179.25 177.48 1q2r h ASP 216 N -0.48 -0.41 0.07 0.00 3.32 0.13 0.66 116.42 119.71 1q2r h ASP 216 Ca -0.03 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1q2r h ASP 216 Cb 0.36 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1q2r h ASP 216 CO 0.05 -0.21 -0.43 0.00 -1.72 0.00 0.00 179.24 176.93 1q2r h ALA 217 N 0.64 -0.74 -0.65 3.45 0.00 -0.00 0.46 119.26 122.41 1q2r h ALA 217 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1q2r h ALA 217 Cb 0.31 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1q2r h ALA 217 CO -0.11 -0.99 0.20 -0.07 0.00 0.00 0.00 179.25 178.28 1q2r h LEU 218 N -0.63 0.13 -0.94 0.00 4.07 -0.60 0.01 115.31 117.35 1q2r h LEU 218 Ca 0.03 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1q2r h LEU 218 Cb 0.68 0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.48 1q2r h LEU 218 CO -0.28 0.07 0.60 0.00 -1.08 0.00 0.00 178.44 177.74 1q2r h ALA 219 N 1.49 1.20 -0.13 1.53 0.00 0.13 -1.57 119.26 121.92 1q2r h ALA 219 Ca 0.34 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1q2r h ALA 219 Cb 0.49 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1q2r h ALA 219 CO -0.38 0.63 -0.11 1.49 0.00 0.00 0.00 179.25 180.87 1q2r h GLU 220 N 1.29 -0.13 0.86 0.00 4.57 0.18 -3.08 114.58 118.27 1q2r h GLU 220 Ca 0.34 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 1q2r h GLU 220 Cb -0.10 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1q2r h GLU 220 CO -0.07 -0.09 -0.41 0.82 -1.18 0.00 0.00 179.01 178.08 1q2r h ILE 221 N -0.13 0.09 0.00 2.32 2.04 -1.09 -3.50 117.51 117.24 1q2r h ILE 221 Ca 0.09 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1q2r h ILE 221 Cb 0.26 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1q2r h ILE 221 CO -0.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.56 1q2r n GLY 222 N -1.37 1.82 3.13 5.37 0.00 -0.62 -5.13 105.19 108.38 1q2r n GLY 222 Ca -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 1q2r n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q2r s PHE 223 N 0.00 0.58 -0.54 1.61 0.08 -1.26 -5.02 117.98 113.43 1q2r s PHE 223 Ca 0.00 -1.06 0.24 0.00 0.12 0.00 0.00 56.93 56.23 1q2r s PHE 223 Cb 0.00 -0.37 0.94 0.00 -0.57 0.00 0.00 43.02 43.02 1q2r s PHE 223 CO 0.00 -0.45 1.73 -0.25 -0.10 0.00 0.00 175.22 176.15 1q2r n ASP 224 N 0.02 0.70 -3.50 1.36 8.00 0.12 -4.83 116.55 118.43 1q2r n ASP 224 Ca -0.11 0.64 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 1q2r n ASP 224 Cb 0.62 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1q2r n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1q2r s GLY 225 N -3.55 -0.48 -0.09 0.44 0.00 -1.17 -4.50 107.32 97.96 1q2r s GLY 225 Ca 0.06 1.09 0.03 0.00 0.00 0.00 0.00 44.72 45.90 1q2r s GLY 225 CO 0.44 0.48 -0.17 -0.19 0.00 0.00 0.00 173.10 173.66 1q2r s TYR 226 N -2.73 1.99 0.02 1.90 1.51 -0.78 -1.75 117.35 117.51 1q2r s TYR 226 Ca 0.01 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.30 1q2r s TYR 226 Cb -0.01 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1q2r s TYR 226 CO -0.06 -0.37 -0.08 0.00 -1.11 0.00 0.00 175.55 173.93 1q2r s ALA 227 N 0.60 2.98 -0.41 3.71 0.00 -0.13 -1.72 121.76 126.79 1q2r s ALA 227 Ca -0.15 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 1q2r s ALA 227 Cb -0.16 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1q2r s ALA 227 CO 0.05 0.62 0.44 0.08 0.00 0.00 0.00 175.76 176.94 1q2r s VAL 228 N -1.02 5.08 0.22 0.00 1.01 0.11 -0.75 120.40 125.06 1q2r s VAL 228 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1q2r s VAL 228 Cb -0.11 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1q2r s VAL 228 CO 0.08 -0.38 0.26 0.61 0.00 0.00 0.00 175.10 175.68 1q2r n GLY 229 N 5.07 2.29 2.43 4.51 0.00 -0.37 -2.82 105.19 116.30 1q2r n GLY 229 Ca -0.07 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.59 1q2r n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2r n GLY 230 N 2.28 -0.50 3.60 -0.02 0.00 -1.26 -4.75 105.19 104.54 1q2r n GLY 230 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1q2r n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q2r s LEU 231 N -5.89 2.16 -1.50 0.99 1.43 -1.26 -4.68 118.68 109.93 1q2r s LEU 231 Ca 0.01 -1.63 -0.14 0.00 -1.03 0.00 0.00 54.13 51.34 1q2r s LEU 231 Cb -0.00 -0.39 0.10 0.00 0.03 0.00 0.00 46.19 45.93 1q2r s LEU 231 CO 0.01 -0.85 0.73 0.00 0.23 0.00 0.00 176.35 176.47 1q2r n ALA 232 N -1.02 -1.18 -1.12 4.21 0.00 -1.26 -4.83 120.51 115.30 1q2r n ALA 232 Ca -0.10 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1q2r n ALA 232 Cb 0.66 -3.55 0.18 0.00 0.00 0.00 0.00 19.45 16.74 1q2r n ALA 232 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1q2r n VAL 233 N -4.31 2.05 0.00 0.00 3.14 -1.26 -4.92 118.33 113.04 1q2r n VAL 233 Ca 0.03 -2.29 0.00 0.00 -2.96 0.00 0.00 64.34 59.12 1q2r n VAL 233 Cb 0.52 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 1q2r n VAL 233 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q2r n GLY 234 N -1.17 1.06 0.33 7.55 0.00 -1.26 -4.76 105.19 106.94 1q2r n GLY 234 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1q2r n GLY 234 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q2r n GLU 235 N 0.00 1.44 -0.23 1.61 0.00 -1.26 -5.03 120.64 117.17 1q2r n GLU 235 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 57.16 56.52 1q2r n GLU 235 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 31.44 30.02 1q2r n GLU 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q2r n GLY 236 N 1.05 -2.90 0.33 -1.84 0.00 -1.26 -3.84 105.19 96.72 1q2r n GLY 236 Ca 0.18 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.92 1q2r n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1q2r h GLN 237 N -0.06 0.79 0.63 1.61 4.15 -1.99 -2.26 115.11 117.98 1q2r h GLN 237 Ca -0.01 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1q2r h GLN 237 Cb 0.17 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1q2r h GLN 237 CO 0.00 0.55 -0.42 -0.44 -1.93 0.00 0.00 178.83 176.60 1q2r h ASP 238 N 0.81 -1.06 -0.51 -0.69 5.19 -2.00 -0.78 116.42 117.38 1q2r h ASP 238 Ca 0.21 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1q2r h ASP 238 Cb -0.04 0.32 -0.04 0.00 0.18 0.00 0.00 39.33 39.75 1q2r h ASP 238 CO -0.04 -0.63 0.29 -0.33 -3.12 0.00 0.00 179.24 175.41 1q2r h GLU 239 N -1.00 0.56 -0.40 3.56 4.39 -1.63 -1.07 114.58 118.98 1q2r h GLU 239 Ca -0.08 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1q2r h GLU 239 Cb 0.82 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1q2r h GLU 239 CO 0.06 0.37 0.11 1.98 -1.16 0.00 0.00 179.01 180.37 1q2r h MET 240 N 0.58 0.24 -0.70 2.33 4.05 -1.25 0.19 114.93 120.37 1q2r h MET 240 Ca 0.21 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1q2r h MET 240 Cb 0.06 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1q2r h MET 240 CO -0.11 0.16 0.31 0.74 0.23 0.00 0.00 176.91 178.24 1q2r h PHE 241 N 0.25 1.03 -0.65 1.39 0.04 -0.84 0.64 116.94 118.81 1q2r h PHE 241 Ca 0.19 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.92 1q2r h PHE 241 Cb 0.21 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1q2r h PHE 241 CO -0.18 0.78 0.41 -0.09 -0.60 0.00 0.00 178.31 178.64 1q2r h ARG 242 N 0.98 0.81 -0.16 1.51 2.43 -0.20 0.96 114.38 120.71 1q2r h ARG 242 Ca 0.24 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1q2r h ARG 242 Cb 0.16 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1q2r h ARG 242 CO -0.03 0.53 -0.61 0.28 -1.51 0.00 0.00 179.97 178.64 1q2r h VAL 243 N 0.83 1.33 -0.02 0.20 2.07 -0.41 -2.91 116.25 117.34 1q2r h VAL 243 Ca 0.25 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 65.81 1q2r h VAL 243 Cb -0.04 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1q2r h VAL 243 CO -0.08 0.58 -0.28 -0.07 0.02 0.00 0.00 177.57 177.75 1q2r h LEU 244 N 0.40 0.03 -1.07 2.57 3.38 -0.34 0.19 115.31 120.47 1q2r h LEU 244 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1q2r h LEU 244 Cb 1.17 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1q2r h LEU 244 CO 0.11 0.31 0.63 0.44 0.09 0.00 0.00 178.44 180.02 1q2r h ASP 245 N 0.03 1.05 0.00 -0.43 3.32 -0.61 -2.99 116.42 116.78 1q2r h ASP 245 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1q2r h ASP 245 Cb 0.51 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1q2r h ASP 245 CO 0.04 0.72 -1.92 2.22 -1.72 0.00 0.00 179.24 178.58 1q2r n PHE 246 N -4.43 0.00 0.10 4.55 1.16 -1.08 -4.55 117.46 113.21 1q2r n PHE 246 Ca 0.13 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.61 1q2r n PHE 246 Cb 0.09 -0.49 -0.06 0.00 -1.61 0.00 0.00 39.48 37.41 1q2r n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1q2r h SER 247 N 0.00 -0.29 -0.69 5.98 0.02 -0.95 -3.30 113.55 114.32 1q2r h SER 247 Ca -0.06 -0.19 0.15 0.00 -0.84 0.00 0.00 61.79 60.85 1q2r h SER 247 Cb 1.02 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.51 1q2r h SER 247 CO 0.00 0.22 -0.05 0.58 -1.14 0.00 0.00 176.83 176.43 1q2r h VAL 248 N -0.98 0.38 -0.99 2.27 2.07 -1.76 -0.59 116.25 116.65 1q2r h VAL 248 Ca -0.03 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.63 1q2r h VAL 248 Cb 0.46 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 1q2r h VAL 248 CO 0.06 0.01 0.62 -0.65 0.02 0.00 0.00 177.57 177.63 1q2r h PRO 249 N 0.07 0.79 -0.11 1.57 0.11 -1.80 -0.54 132.00 132.09 1q2r h PRO 249 Ca 0.36 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.45 1q2r h PRO 249 Cb 0.59 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1q2r h PRO 249 CO -0.63 0.52 0.09 0.52 -0.21 0.00 0.00 178.00 178.28 1q2r h MET 250 N 0.81 0.00 -6.71 1.05 2.86 -1.18 -3.43 114.93 108.33 1q2r h MET 250 Ca 0.54 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.68 1q2r h MET 250 Cb 0.77 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1q2r h MET 250 CO -0.31 0.00 0.24 -0.51 1.06 0.00 0.00 176.91 177.38 1q2r s LEU 251 N -8.53 4.40 -0.37 1.22 1.43 -0.21 -4.83 118.68 111.79 1q2r s LEU 251 Ca -0.05 1.67 -0.42 0.00 -1.03 0.00 0.00 54.13 54.31 1q2r s LEU 251 Cb 0.17 -3.73 -0.17 0.00 0.03 0.00 0.00 46.19 42.49 1q2r s LEU 251 CO 0.64 0.03 1.83 -2.65 0.23 0.00 0.00 176.35 176.42 1q2r n PRO 252 N 0.84 0.72 -0.25 1.29 -0.02 -1.26 -4.87 135.00 131.44 1q2r n PRO 252 Ca -0.01 0.25 -0.05 0.00 -2.02 0.00 0.00 63.50 61.67 1q2r n PRO 252 Cb 0.50 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 1q2r n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1q2r h ASP 253 N 7.65 0.83 0.00 2.55 3.58 -1.92 -2.70 116.42 126.41 1q2r h ASP 253 Ca -0.38 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1q2r h ASP 253 Cb 1.34 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1q2r h ASP 253 CO 0.99 0.65 0.00 -0.90 -2.88 0.00 0.00 179.24 177.10 1q2r n ASP 254 N -4.55 0.00 -4.35 2.28 5.75 -1.26 -4.71 116.55 109.71 1q2r n ASP 254 Ca 0.06 -0.98 -0.27 0.00 -0.01 0.00 0.00 54.79 53.59 1q2r n ASP 254 Cb 0.05 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1q2r n ASP 254 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q2r s LYS 255 N -2.00 1.30 0.26 0.11 -0.14 -1.02 -4.94 119.74 113.31 1q2r s LYS 255 Ca 0.02 -1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 53.07 1q2r s LYS 255 Cb 0.01 -1.69 -0.09 0.00 -1.68 0.00 0.00 37.83 34.37 1q2r s LYS 255 CO 0.01 0.40 1.23 -1.25 -0.76 0.00 0.00 175.35 174.98 1q2r s PRO 256 N -1.96 4.47 -0.09 -1.68 0.04 -1.26 -4.86 135.00 129.66 1q2r s PRO 256 Ca 0.11 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1q2r s PRO 256 Cb -0.10 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1q2r s PRO 256 CO 0.05 -0.07 0.07 -1.01 0.04 0.00 0.00 177.00 176.09 1q2r s HIS 257 N -0.65 3.37 -0.14 0.56 3.76 -1.26 -1.86 115.29 119.08 1q2r s HIS 257 Ca 0.50 0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.74 1q2r s HIS 257 Cb -0.35 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.53 1q2r s HIS 257 CO 0.43 0.60 -0.01 -0.47 -0.85 0.00 0.00 174.74 174.44 1q2r s TYR 258 N -0.98 1.16 -0.75 1.40 5.04 -0.70 -0.85 117.35 121.67 1q2r s TYR 258 Ca 0.15 -0.71 -0.19 0.00 -2.44 0.00 0.00 57.07 53.88 1q2r s TYR 258 Cb -0.12 -1.06 0.12 0.00 0.35 0.00 0.00 41.96 41.25 1q2r s TYR 258 CO 0.04 -0.52 0.91 -1.17 -1.34 0.00 0.00 175.55 173.47 1q2r s LEU 259 N 1.81 5.24 0.36 6.97 2.96 -0.90 0.06 118.68 135.18 1q2r s LEU 259 Ca 0.02 -1.71 -0.28 0.00 -0.22 0.00 0.00 54.13 51.94 1q2r s LEU 259 Cb -0.15 -2.35 -0.11 0.00 0.50 0.00 0.00 46.19 44.08 1q2r s LEU 259 CO -0.07 -1.10 1.49 0.23 -1.32 0.00 0.00 176.35 175.58 1q2r n MET 260 N 6.40 2.64 0.00 1.98 2.81 -1.13 -3.26 117.12 126.56 1q2r n MET 260 Ca 0.06 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 1q2r n MET 260 Cb 0.46 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.31 1q2r n MET 260 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q2r n GLY 261 N 0.77 2.80 3.72 3.03 0.00 -1.20 -4.77 105.19 109.54 1q2r n GLY 261 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1q2r n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q2r s VAL 262 N -0.77 4.15 0.00 1.61 1.01 -1.20 -4.64 120.40 120.55 1q2r s VAL 262 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1q2r s VAL 262 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1q2r s VAL 262 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1q2r n GLY 263 N 2.78 0.47 3.69 4.51 0.00 -1.26 -3.20 105.19 112.19 1q2r n GLY 263 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1q2r n GLY 263 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q2r n LYS 264 N 0.00 2.34 -0.40 1.61 4.81 -1.26 -4.76 118.16 120.51 1q2r n LYS 264 Ca 0.00 0.84 -0.08 0.00 -0.87 0.00 0.00 58.31 58.20 1q2r n LYS 264 Cb 0.00 -2.59 -0.05 0.00 0.02 0.00 0.00 35.03 32.41 1q2r n LYS 264 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1q2r h PRO 265 N 5.28 -0.01 0.00 1.64 0.11 -2.00 0.20 132.00 137.22 1q2r h PRO 265 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1q2r h PRO 265 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1q2r h PRO 265 CO 0.84 -0.01 -0.11 0.38 -0.21 0.00 0.00 178.00 178.89 1q2r h ASP 266 N -0.01 0.00 0.54 -2.05 2.03 -2.00 -1.92 116.42 113.00 1q2r h ASP 266 Ca 0.22 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.35 1q2r h ASP 266 Cb 0.48 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 1q2r h ASP 266 CO -0.94 0.11 -0.78 0.44 -1.03 0.00 0.00 179.24 177.03 1q2r h ASP 267 N 0.00 0.23 0.11 4.15 3.32 -1.00 -2.71 116.42 120.52 1q2r h ASP 267 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1q2r h ASP 267 Cb 0.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1q2r h ASP 267 CO 0.01 0.91 -0.05 0.40 -1.72 0.00 0.00 179.24 178.79 1q2r h ILE 268 N 0.11 1.08 -0.63 0.35 2.04 -0.47 -2.15 117.51 117.85 1q2r h ILE 268 Ca -0.03 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.02 1q2r h ILE 268 Cb 1.36 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 1q2r h ILE 268 CO 0.12 0.21 0.29 0.58 0.00 0.00 0.00 178.15 179.34 1q2r h VAL 269 N -0.58 0.84 -0.83 1.67 2.07 -1.52 -0.07 116.25 117.83 1q2r h VAL 269 Ca -0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1q2r h VAL 269 Cb 0.46 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1q2r h VAL 269 CO 0.03 0.09 0.46 1.23 0.02 0.00 0.00 177.57 179.40 1q2r h GLY 270 N 0.51 1.23 1.45 2.17 0.00 -1.48 -2.37 103.07 104.58 1q2r h GLY 270 Ca 0.31 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 1q2r h GLY 270 CO -0.26 0.53 -0.47 0.00 0.00 0.00 0.00 176.54 176.35 1q2r h ALA 271 N 1.24 0.76 -0.47 3.60 0.00 -0.65 -2.40 119.26 121.34 1q2r h ALA 271 Ca 0.29 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1q2r h ALA 271 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1q2r h ALA 271 CO -0.05 0.67 0.22 0.28 0.00 0.00 0.00 179.25 180.37 1q2r h VAL 272 N 0.47 1.16 0.00 0.00 2.07 -0.77 0.17 116.25 119.35 1q2r h VAL 272 Ca 0.03 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1q2r h VAL 272 Cb 1.00 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1q2r h VAL 272 CO 0.09 0.19 -0.18 -0.33 0.02 0.00 0.00 177.57 177.36 1q2r h GLU 273 N 0.66 0.00 -0.01 1.57 5.08 -0.95 -2.02 114.58 118.90 1q2r h GLU 273 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1q2r h GLU 273 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1q2r h GLU 273 CO -0.02 0.18 -0.25 0.54 -1.00 0.00 0.00 179.01 178.45 1q2r n ARG 274 N -3.62 0.92 0.00 2.33 3.00 0.49 -3.90 116.66 115.89 1q2r n ARG 274 Ca -0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.85 57.27 1q2r n ARG 274 Cb 0.31 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.28 1q2r n ARG 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q2r n GLY 275 N 1.33 0.86 3.78 -0.13 0.00 -0.60 -4.79 105.19 105.64 1q2r n GLY 275 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1q2r n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q2r s ILE 276 N -2.00 3.34 0.00 -0.61 -1.09 -0.68 -4.68 121.20 115.48 1q2r s ILE 276 Ca 0.00 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1q2r s ILE 276 Cb 0.00 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1q2r s ILE 276 CO 0.00 -0.20 0.00 0.47 -1.23 0.00 0.00 174.94 173.98 1q2r n ASP 277 N -1.29 3.12 -3.84 3.58 8.00 -0.03 -4.46 116.55 121.62 1q2r n ASP 277 Ca 0.11 -0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.35 1q2r n ASP 277 Cb 0.51 0.90 -0.13 0.00 -0.02 0.00 0.00 41.12 42.39 1q2r n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1q2r s MET 278 N -1.53 0.15 0.15 -1.24 -1.94 -0.72 -0.85 119.30 113.34 1q2r s MET 278 Ca 0.00 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.09 1q2r s MET 278 Cb 0.00 0.07 -0.05 0.00 2.01 0.00 0.00 34.83 36.87 1q2r s MET 278 CO 0.00 -0.02 -0.03 -0.06 -0.01 0.00 0.00 175.02 174.90 1q2r s PHE 279 N -0.08 1.15 -0.22 -0.03 0.40 0.12 -2.11 117.98 117.22 1q2r s PHE 279 Ca -0.01 -0.95 -0.16 0.00 -0.60 0.00 0.00 56.93 55.20 1q2r s PHE 279 Cb -0.01 -0.65 0.06 0.00 0.51 0.00 0.00 43.02 42.93 1q2r s PHE 279 CO 0.00 -0.15 0.55 0.16 0.70 0.00 0.00 175.22 176.49 1q2r s ASP 280 N -3.15 -0.64 0.06 1.36 -4.77 -1.19 -0.02 116.67 108.31 1q2r s ASP 280 Ca 0.20 1.16 -0.26 0.00 -3.30 0.00 0.00 52.55 50.34 1q2r s ASP 280 Cb 0.05 1.11 0.09 0.00 -1.09 0.00 0.00 42.92 43.08 1q2r s ASP 280 CO 0.01 -0.20 0.74 0.00 0.70 0.00 0.00 175.17 176.42 1q2r n VAL 282 N -0.13 0.36 0.16 0.00 0.24 -1.26 -3.97 118.33 113.73 1q2r n VAL 282 Ca -0.14 -0.68 -0.15 0.00 -2.04 0.00 0.00 64.34 61.33 1q2r n VAL 282 Cb 0.63 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 34.01 1q2r n VAL 282 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1q2r h LEU 283 N 3.86 -1.19 -0.81 1.34 5.85 -1.95 0.57 115.31 122.97 1q2r h LEU 283 Ca 0.00 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1q2r h LEU 283 Cb 0.87 0.43 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 1q2r h LEU 283 CO 0.00 -0.51 0.44 1.55 -0.34 0.00 0.00 178.44 179.58 1q2r h PRO 284 N -0.70 0.69 0.09 5.25 0.13 -1.91 0.14 132.00 135.69 1q2r h PRO 284 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1q2r h PRO 284 Cb 0.70 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1q2r h PRO 284 CO -0.19 0.46 -0.05 1.79 -0.23 0.00 0.00 178.00 179.78 1q2r h THR 285 N 0.71 1.11 -0.16 1.56 1.35 -1.78 -2.22 112.91 113.49 1q2r h THR 285 Ca 0.40 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.92 1q2r h THR 285 Cb 0.43 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1q2r h THR 285 CO -0.28 0.29 -0.08 -0.09 -0.25 0.00 0.00 175.52 175.12 1q2r h ARG 286 N -0.78 0.33 -0.09 4.72 2.43 0.23 -2.14 114.38 119.09 1q2r h ARG 286 Ca -0.01 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1q2r h ARG 286 Cb 0.58 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1q2r h ARG 286 CO 0.02 0.65 -0.35 0.66 -1.51 0.00 0.00 179.97 179.44 1q2r h SER 287 N 0.01 0.18 0.35 -3.80 4.64 -0.88 -2.20 113.55 111.85 1q2r h SER 287 Ca 0.04 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1q2r h SER 287 Cb 0.55 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1q2r h SER 287 CO 0.02 0.53 -0.39 1.23 -0.87 0.00 0.00 176.83 177.36 1q2r h GLY 288 N 1.12 -0.90 1.57 -0.77 0.00 -1.19 -0.05 103.07 102.86 1q2r h GLY 288 Ca 0.02 0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.86 1q2r h GLY 288 CO 0.05 -0.31 0.16 3.21 0.00 0.00 0.00 176.54 179.65 1q2r h ARG 289 N -0.77 0.00 -0.20 4.80 3.08 -1.21 -0.86 114.38 119.22 1q2r h ARG 289 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1q2r h ARG 289 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1q2r h ARG 289 CO -0.09 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.10 1q2r n ASN 290 N -4.28 0.75 0.00 7.04 5.15 -0.41 -4.85 115.26 118.66 1q2r n ASN 290 Ca 0.02 -2.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 1q2r n ASN 290 Cb 0.30 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1q2r n ASN 290 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q2r n GLY 291 N 0.63 0.58 3.49 8.20 0.00 -0.33 -4.99 105.19 112.77 1q2r n GLY 291 Ca 0.04 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1q2r n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q2r s GLN 292 N -0.41 3.57 -0.09 1.61 0.74 -0.17 -1.24 119.66 123.67 1q2r s GLN 292 Ca 0.00 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 1q2r s GLN 292 Cb 0.00 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1q2r s GLN 292 CO 0.00 -0.33 -0.04 0.00 -0.55 0.00 0.00 175.29 174.37 1q2r s ALA 293 N 1.67 3.07 0.05 1.58 0.00 0.28 -3.76 121.76 124.65 1q2r s ALA 293 Ca 0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 1q2r s ALA 293 Cb -0.17 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 1q2r s ALA 293 CO 0.08 0.50 0.71 -0.06 0.00 0.00 0.00 175.76 176.98 1q2r s PHE 294 N -0.57 3.76 0.05 0.00 0.08 -1.26 -0.59 117.98 119.45 1q2r s PHE 294 Ca 0.09 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.55 1q2r s PHE 294 Cb -0.12 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1q2r s PHE 294 CO 0.02 0.36 -0.04 0.95 -0.10 0.00 0.00 175.22 176.41 1q2r s THR 295 N -0.34 0.27 -0.64 0.64 -4.23 -1.19 -4.80 115.64 105.35 1q2r s THR 295 Ca 0.35 -1.65 0.13 0.00 -1.18 0.00 0.00 61.69 59.34 1q2r s THR 295 Cb -0.20 -1.30 0.13 0.00 1.34 0.00 0.00 72.50 72.46 1q2r s THR 295 CO 0.22 -0.88 1.41 0.79 -0.54 0.00 0.00 174.62 175.61 1q2r n TRP 296 N 0.38 0.38 -0.87 3.99 7.02 -1.26 -0.69 117.44 126.39 1q2r n TRP 296 Ca -0.16 0.18 0.08 0.00 -1.02 0.00 0.00 57.50 56.58 1q2r n TRP 296 Cb 0.60 -0.79 0.34 0.00 -2.42 0.00 0.00 31.31 29.04 1q2r n TRP 296 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1q2r n ASP 297 N -1.88 4.91 0.00 -0.99 8.00 -1.26 -3.91 116.55 121.42 1q2r n ASP 297 Ca 0.00 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.64 1q2r n ASP 297 Cb 0.07 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1q2r n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q2r n GLY 298 N 0.31 1.98 3.76 0.44 0.00 0.13 -4.67 105.19 107.14 1q2r n GLY 298 Ca 0.25 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1q2r n GLY 298 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q2r s PRO 299 N -2.60 3.46 0.04 1.61 0.02 -1.26 -3.15 135.00 133.11 1q2r s PRO 299 Ca 0.00 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.20 1q2r s PRO 299 Cb 0.00 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 32.09 1q2r s PRO 299 CO 0.00 -0.91 -0.10 0.96 -0.33 0.00 0.00 177.00 176.62 1q2r s ILE 300 N -1.33 0.72 -0.43 2.83 -4.36 0.25 -4.95 121.20 113.94 1q2r s ILE 300 Ca 0.66 -0.91 -0.16 0.00 -0.26 0.00 0.00 60.65 59.98 1q2r s ILE 300 Cb -0.38 -0.71 0.03 0.00 1.25 0.00 0.00 42.46 42.65 1q2r s ILE 300 CO 0.46 -0.17 0.36 0.21 0.24 0.00 0.00 174.94 176.04 1q2r s ASN 301 N -1.19 6.14 0.60 4.36 3.84 -1.26 -0.56 114.94 126.87 1q2r s ASN 301 Ca -0.04 -0.91 0.34 0.00 0.21 0.00 0.00 52.86 52.46 1q2r s ASN 301 Cb -0.08 -2.18 1.90 0.00 -0.55 0.00 0.00 41.25 40.34 1q2r s ASN 301 CO 0.01 -0.52 2.24 -0.29 -2.79 0.00 0.00 177.10 175.74 1q2r h ILE 302 N 5.68 0.36 0.00 -5.21 6.09 -1.56 -2.10 117.51 120.78 1q2r h ILE 302 Ca -0.27 -0.14 -0.03 0.00 -1.37 0.00 0.00 64.86 63.05 1q2r h ILE 302 Cb 1.12 1.10 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 1q2r h ILE 302 CO 0.78 0.03 -0.12 0.03 -3.07 0.00 0.00 178.15 175.79 1q2r h ARG 303 N 0.00 0.00 -6.44 2.19 3.08 -1.89 -3.42 114.38 107.90 1q2r h ARG 303 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1q2r h ARG 303 Cb 0.10 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.23 1q2r h ARG 303 CO 0.00 0.12 0.31 -1.71 -1.07 0.00 0.00 179.97 177.63 1q2r n ASN 304 N -4.13 1.67 0.31 7.04 2.85 -0.79 -4.85 115.26 117.36 1q2r n ASN 304 Ca -0.02 1.15 0.20 0.00 -0.11 0.00 0.00 54.58 55.80 1q2r n ASN 304 Cb 0.20 -1.29 1.09 0.00 1.24 0.00 0.00 39.78 41.03 1q2r n ASN 304 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q2r h ALA 305 N 3.16 1.03 0.00 5.20 0.00 -1.90 -2.46 119.26 124.29 1q2r h ALA 305 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1q2r h ALA 305 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q2r h ALA 305 CO 0.69 -0.03 0.00 2.89 0.00 0.00 0.00 179.25 182.80 1q2r n ARG 306 N -2.92 0.57 -0.00 0.00 1.85 -1.26 -2.72 116.66 112.17 1q2r n ARG 306 Ca -0.03 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.88 1q2r n ARG 306 Cb 0.09 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.95 1q2r n ARG 306 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1q2r n PHE 307 N -1.04 0.00 -0.46 2.89 3.72 -0.93 -4.68 117.46 116.95 1q2r n PHE 307 Ca 0.14 0.00 0.42 0.00 -0.05 0.00 0.00 57.45 57.96 1q2r n PHE 307 Cb 0.08 -0.00 0.77 0.00 -0.94 0.00 0.00 39.48 39.39 1q2r n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1q2r h SER 308 N 0.00 0.01 0.00 4.37 4.64 -1.68 -0.69 113.55 120.21 1q2r h SER 308 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1q2r h SER 308 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 1q2r h SER 308 CO 0.00 -0.00 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.01 1q2r n GLU 309 N -4.11 0.97 -2.62 4.77 1.02 -1.26 -4.63 120.64 114.77 1q2r n GLU 309 Ca 0.33 -2.39 -0.42 0.00 -0.02 0.00 0.00 57.16 54.66 1q2r n GLU 309 Cb 1.52 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 31.74 1q2r n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q2r s ASP 310 N -2.51 6.38 0.00 1.62 -1.08 -0.27 -4.87 116.67 115.94 1q2r s ASP 310 Ca 0.27 -0.08 0.20 0.00 -0.52 0.00 0.00 52.55 52.42 1q2r s ASP 310 Cb 0.26 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 40.19 1q2r s ASP 310 CO -0.02 -1.50 1.65 0.18 0.52 0.00 0.00 175.17 175.99 1q2r n LEU 311 N 8.43 0.00 -4.82 -1.34 4.32 -1.26 -0.87 117.00 121.47 1q2r n LEU 311 Ca 0.06 0.32 -0.31 0.00 -0.02 0.00 0.00 56.01 56.06 1q2r n LEU 311 Cb 0.49 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1q2r n LEU 311 CO 0.70 -0.10 0.71 -0.54 -1.22 0.00 0.00 177.39 176.94 1q2r s LYS 312 N -2.63 3.01 0.90 3.23 1.02 -1.26 -4.57 119.74 119.43 1q2r s LYS 312 Ca 0.18 1.00 -0.12 0.00 0.02 0.00 0.00 55.97 57.04 1q2r s LYS 312 Cb 0.14 -2.00 0.13 0.00 -0.52 0.00 0.00 37.83 35.58 1q2r s LYS 312 CO 0.32 -1.05 1.15 -1.25 -0.92 0.00 0.00 175.35 173.60 1q2r s PRO 313 N -4.87 1.23 0.19 -1.68 0.04 -1.26 -0.69 135.00 127.96 1q2r s PRO 313 Ca 0.59 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 1q2r s PRO 313 Cb -0.14 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 32.72 1q2r s PRO 313 CO 0.52 -2.12 1.67 -0.07 0.04 0.00 0.00 177.00 177.03 1q2r h LEU 314 N -1.44 -0.31 -8.08 -3.56 4.07 -1.88 -3.41 115.31 100.70 1q2r h LEU 314 Ca -0.50 0.13 -0.39 0.00 0.08 0.00 0.00 57.88 57.20 1q2r h LEU 314 Cb 1.33 0.25 -0.28 0.00 1.08 0.00 0.00 40.66 43.04 1q2r h LEU 314 CO 0.62 -0.11 -0.78 -0.62 -1.08 0.00 0.00 178.44 176.47 1q2r s ASP 315 N -5.24 1.13 0.23 -0.43 -1.08 -1.26 -4.90 116.67 105.12 1q2r s ASP 315 Ca -0.14 -0.22 -0.08 0.00 -0.52 0.00 0.00 52.55 51.59 1q2r s ASP 315 Cb 0.16 -0.11 0.20 0.00 -1.46 0.00 0.00 42.92 41.71 1q2r s ASP 315 CO 0.72 0.09 1.88 0.77 0.52 0.00 0.00 175.17 179.15 1q2r h SER 316 N 5.74 1.02 0.43 -0.34 4.64 -1.99 -3.28 113.55 119.77 1q2r h SER 316 Ca -0.32 -0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 60.65 1q2r h SER 316 Cb 1.18 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 1q2r h SER 316 CO 0.48 0.77 -1.80 -0.62 -0.87 0.00 0.00 176.83 174.80 1q2r n GLU 317 N -4.44 0.64 -1.49 4.77 1.02 -1.26 -4.99 120.64 114.88 1q2r n GLU 317 Ca 0.09 0.25 -0.54 0.00 -0.02 0.00 0.00 57.16 56.94 1q2r n GLU 317 Cb 0.04 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.65 1q2r n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q2r n HIS 319 N 1.20 0.00 -1.54 0.00 8.25 -1.26 -4.78 115.22 117.08 1q2r n HIS 319 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 1q2r n HIS 319 Cb 0.16 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.22 1q2r n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q2r h ALA 321 N 0.32 2.01 0.37 0.00 0.00 -1.95 -2.34 119.26 117.67 1q2r h ALA 321 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1q2r h ALA 321 Cb 1.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1q2r h ALA 321 CO 0.49 -0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.46 1q2r h VAL 322 N 0.00 0.52 0.00 0.00 2.07 -1.92 -2.94 116.25 113.97 1q2r h VAL 322 Ca 0.12 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1q2r h VAL 322 Cb 0.61 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1q2r h VAL 322 CO -0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1q2r n GLN 324 N -1.19 0.65 -0.03 0.00 1.13 -1.01 -4.78 117.38 112.16 1q2r n GLN 324 Ca 0.06 -0.16 -0.07 0.00 -1.94 0.00 0.00 57.00 54.89 1q2r n GLN 324 Cb 0.06 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 28.83 1q2r n GLN 324 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1q2r n LYS 325 N -2.32 0.14 -3.95 -1.09 4.81 -0.50 -5.08 118.16 110.17 1q2r n LYS 325 Ca -0.04 0.06 -0.34 0.00 -0.87 0.00 0.00 58.31 57.12 1q2r n LYS 325 Cb 0.58 -0.74 -0.05 0.00 0.02 0.00 0.00 35.03 34.84 1q2r n LYS 325 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1q2r s TRP 326 N -2.14 3.49 0.86 5.64 0.51 -0.63 -5.11 118.94 121.56 1q2r s TRP 326 Ca -0.09 0.34 -0.12 0.00 -2.12 0.00 0.00 56.10 54.11 1q2r s TRP 326 Cb 0.03 -1.82 0.14 0.00 -0.81 0.00 0.00 33.47 31.01 1q2r s TRP 326 CO 0.12 0.63 1.20 -1.54 -0.51 0.00 0.00 176.95 176.85 1q2r s SER 327 N -1.81 3.88 0.10 2.95 1.04 -1.26 -4.59 113.70 114.02 1q2r s SER 327 Ca 0.25 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.91 1q2r s SER 327 Cb -0.12 -0.66 -0.15 0.00 0.10 0.00 0.00 66.02 65.19 1q2r s SER 327 CO 0.16 -2.24 1.32 0.03 0.98 0.00 0.00 173.24 173.49 1q2r h ARG 328 N -1.20 0.79 -0.82 4.02 3.08 -0.46 -2.71 114.38 117.08 1q2r h ARG 328 Ca -0.44 -0.61 0.09 0.00 0.07 0.00 0.00 59.98 59.09 1q2r h ARG 328 Cb 1.28 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 31.37 1q2r h ARG 328 CO 0.49 1.23 0.47 0.00 -1.07 0.00 0.00 179.97 181.09 1q2r h ALA 329 N 0.57 1.17 0.41 0.04 0.00 -1.00 0.48 119.26 120.93 1q2r h ALA 329 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q2r h ALA 329 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1q2r h ALA 329 CO 0.15 0.10 -0.20 -0.92 0.00 0.00 0.00 179.25 178.38 1q2r h TYR 330 N 0.79 -0.51 -0.70 0.00 3.20 -1.83 -2.39 116.97 115.53 1q2r h TYR 330 Ca 0.40 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.34 1q2r h TYR 330 Cb 0.36 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.73 1q2r h TYR 330 CO -0.06 -0.18 0.36 0.82 -1.64 0.00 0.00 178.16 177.46 1q2r h ILE 331 N -0.91 0.89 -0.23 1.81 2.04 -1.19 -0.71 117.51 119.20 1q2r h ILE 331 Ca -0.06 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1q2r h ILE 331 Cb 0.56 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1q2r h ILE 331 CO 0.09 0.12 -0.27 -0.74 0.00 0.00 0.00 178.15 177.35 1q2r h HIS 332 N 0.63 -0.83 -0.57 1.37 2.76 -0.01 0.15 115.15 118.65 1q2r h HIS 332 Ca 0.34 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.65 1q2r h HIS 332 Cb 0.31 0.39 -0.11 0.00 1.55 0.00 0.00 27.41 29.55 1q2r h HIS 332 CO -0.10 -0.23 -0.32 1.25 -1.30 0.00 0.00 177.93 177.23 1q2r h HIS 333 N -0.17 -0.88 -0.62 5.26 -0.00 -0.82 0.25 115.15 118.17 1q2r h HIS 333 Ca 0.04 0.07 0.13 0.00 -0.00 0.00 0.00 60.37 60.61 1q2r h HIS 333 Cb 0.28 0.47 -0.10 0.00 -0.00 0.00 0.00 27.41 28.05 1q2r h HIS 333 CO -0.70 -0.37 0.02 1.25 -0.00 0.00 0.00 177.93 178.12 1q2r h LEU 334 N -0.16 -0.24 -0.13 0.26 5.85 -0.09 0.93 115.31 121.72 1q2r h LEU 334 Ca 0.23 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1q2r h LEU 334 Cb 0.54 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1q2r h LEU 334 CO -0.66 -0.10 -0.10 0.40 -0.34 0.00 0.00 178.44 177.64 1q2r h ILE 335 N 0.13 1.34 0.00 4.05 1.08 0.47 -1.26 117.51 123.32 1q2r h ILE 335 Ca 0.32 -1.20 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1q2r h ILE 335 Cb 0.52 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1q2r h ILE 335 CO -0.52 0.35 -0.10 0.03 -0.69 0.00 0.00 178.15 177.23 1q2r h ARG 336 N -0.07 0.00 -0.28 2.37 3.08 -0.35 -1.52 114.38 117.61 1q2r h ARG 336 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1q2r h ARG 336 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1q2r h ARG 336 CO 0.03 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1q2r n ALA 337 N -2.26 2.48 -2.05 0.04 0.00 0.26 -4.92 120.51 114.06 1q2r n ALA 337 Ca -0.02 -0.66 -0.18 0.00 0.00 0.00 0.00 53.44 52.58 1q2r n ALA 337 Cb 0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1q2r n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2r n GLY 338 N 1.20 0.42 3.72 0.00 0.00 -0.57 -4.96 105.19 105.00 1q2r n GLY 338 Ca 0.16 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1q2r n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q2r s GLU 339 N -4.42 4.61 0.44 1.61 0.41 -0.49 -4.94 118.70 115.92 1q2r s GLU 339 Ca 0.00 1.54 0.17 0.00 -0.41 0.00 0.00 54.97 56.27 1q2r s GLU 339 Cb 0.00 -3.37 1.09 0.00 -1.78 0.00 0.00 34.13 30.07 1q2r s GLU 339 CO 0.00 0.07 1.93 0.82 -0.49 0.00 0.00 175.26 177.59 1q2r h ILE 340 N 4.20 0.79 -0.17 -1.63 2.04 -1.93 0.17 117.51 120.98 1q2r h ILE 340 Ca -0.43 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1q2r h ILE 340 Cb 1.21 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1q2r h ILE 340 CO 0.74 0.07 0.12 0.25 0.00 0.00 0.00 178.15 179.33 1q2r h LEU 341 N 0.37 0.04 -0.31 1.44 5.85 -1.92 -1.75 115.31 119.03 1q2r h LEU 341 Ca 0.35 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1q2r h LEU 341 Cb 0.85 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1q2r h LEU 341 CO -0.10 0.03 0.10 1.23 -0.34 0.00 0.00 178.44 179.36 1q2r h GLY 342 N 0.05 0.52 0.99 3.75 0.00 -0.91 -1.71 103.07 105.76 1q2r h GLY 342 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1q2r h GLY 342 CO -0.01 0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.92 1q2r h ALA 343 N 0.94 0.18 -0.47 3.60 0.00 -1.37 -1.40 119.26 120.74 1q2r h ALA 343 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1q2r h ALA 343 Cb 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1q2r h ALA 343 CO -0.00 -0.32 0.10 0.52 0.00 0.00 0.00 179.25 179.54 1q2r h MET 344 N 0.19 0.23 -0.04 0.00 2.07 -1.28 -1.22 114.93 114.87 1q2r h MET 344 Ca 0.05 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.66 1q2r h MET 344 Cb -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.67 1q2r h MET 344 CO -0.01 0.15 -0.02 -0.07 1.07 0.00 0.00 176.91 178.03 1q2r h LEU 345 N 0.24 0.09 -0.27 1.22 4.07 -1.13 -1.94 115.31 117.58 1q2r h LEU 345 Ca 0.23 -0.43 0.04 0.00 0.08 0.00 0.00 57.88 57.80 1q2r h LEU 345 Cb 0.29 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.97 1q2r h LEU 345 CO -0.30 0.50 0.03 0.24 -1.08 0.00 0.00 178.44 177.83 1q2r h MET 346 N -0.32 0.12 -0.21 1.13 2.86 -1.14 -1.57 114.93 115.80 1q2r h MET 346 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1q2r h MET 346 Cb 0.47 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1q2r h MET 346 CO 0.01 0.08 0.09 1.15 1.06 0.00 0.00 176.91 179.30 1q2r h THR 347 N 0.13 1.15 -0.18 2.22 2.02 -1.26 0.80 112.91 117.79 1q2r h THR 347 Ca 0.13 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1q2r h THR 347 Cb 0.15 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1q2r h THR 347 CO -0.19 0.15 -0.16 -0.08 0.37 0.00 0.00 175.52 175.61 1q2r h GLU 348 N 0.20 -0.17 0.11 6.66 4.81 -1.14 -0.16 114.58 124.90 1q2r h GLU 348 Ca 0.07 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1q2r h GLU 348 Cb 0.15 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1q2r h GLU 348 CO -0.01 -0.11 -0.15 1.25 -0.73 0.00 0.00 179.01 179.26 1q2r h HIS 349 N -0.17 -0.42 -0.88 0.92 2.76 -1.00 -0.39 115.15 115.96 1q2r h HIS 349 Ca 0.11 0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.51 1q2r h HIS 349 Cb 0.34 0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.32 1q2r h HIS 349 CO -0.30 -0.19 0.05 -0.91 -1.30 0.00 0.00 177.93 175.28 1q2r h ASN 350 N -0.27 -0.35 -0.59 3.26 -0.26 -0.62 0.67 115.58 117.42 1q2r h ASN 350 Ca -0.01 0.23 -0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1q2r h ASN 350 Cb 0.24 0.39 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 1q2r h ASN 350 CO -0.04 -0.25 -0.02 0.40 -1.06 0.00 0.00 177.43 176.46 1q2r h ILE 351 N 0.08 1.27 -0.65 2.81 2.04 -0.92 -2.08 117.51 120.07 1q2r h ILE 351 Ca 0.51 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1q2r h ILE 351 Cb 1.00 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1q2r h ILE 351 CO -0.77 0.43 0.42 0.00 0.00 0.00 0.00 178.15 178.23 1q2r h ALA 352 N 0.99 0.83 -0.19 1.87 0.00 0.18 -1.73 119.26 121.21 1q2r h ALA 352 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1q2r h ALA 352 Cb 0.59 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1q2r h ALA 352 CO 0.04 0.23 -0.14 0.35 0.00 0.00 0.00 179.25 179.73 1q2r h PHE 353 N 0.86 -0.34 -0.52 0.00 3.57 0.40 0.41 116.94 121.33 1q2r h PHE 353 Ca 0.24 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.82 1q2r h PHE 353 Cb -0.07 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1q2r h PHE 353 CO -0.03 -0.20 0.26 1.88 -2.23 0.00 0.00 178.31 177.99 1q2r h TYR 354 N -0.14 0.48 -0.40 0.41 -1.99 -0.92 0.18 116.97 114.60 1q2r h TYR 354 Ca 0.11 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.91 1q2r h TYR 354 Cb 0.30 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 1q2r h TYR 354 CO -0.28 0.23 0.15 1.96 -0.00 0.00 0.00 178.16 180.22 1q2r h GLN 355 N 0.51 0.31 -0.85 4.88 1.08 -0.67 0.18 115.11 120.56 1q2r h GLN 355 Ca 0.23 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1q2r h GLN 355 Cb 0.14 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 1q2r h GLN 355 CO -0.16 0.20 0.56 1.96 -0.95 0.00 0.00 178.83 180.44 1q2r h GLN 356 N 0.32 1.07 0.70 1.46 4.20 -0.20 0.27 115.11 122.93 1q2r h GLN 356 Ca 0.18 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1q2r h GLN 356 Cb 0.15 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1q2r h GLN 356 CO -0.17 0.71 -0.34 1.25 -0.67 0.00 0.00 178.83 179.60 1q2r h LEU 357 N 1.10 -0.80 -1.74 1.46 5.85 0.91 -0.00 115.31 122.09 1q2r h LEU 357 Ca 0.33 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1q2r h LEU 357 Cb -0.04 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1q2r h LEU 357 CO -0.09 -0.54 0.40 0.24 -0.34 0.00 0.00 178.44 178.12 1q2r h MET 358 N -1.00 0.27 -0.08 1.25 2.86 -0.06 0.40 114.93 118.57 1q2r h MET 358 Ca -0.10 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1q2r h MET 358 Cb 0.74 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1q2r h MET 358 CO 0.16 0.18 -0.02 0.37 1.06 0.00 0.00 176.91 178.66 1q2r h GLN 359 N 0.28 0.15 -0.79 1.72 5.75 -0.06 -0.70 115.11 121.46 1q2r h GLN 359 Ca 0.28 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.76 1q2r h GLN 359 Cb 0.73 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 1q2r h GLN 359 CO -0.06 0.47 0.52 0.87 -2.65 0.00 0.00 178.83 177.98 1q2r h LYS 360 N -0.18 0.91 -0.36 1.69 1.57 0.89 -1.22 116.57 119.87 1q2r h LYS 360 Ca 0.02 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1q2r h LYS 360 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1q2r h LYS 360 CO 0.01 0.60 -0.31 0.82 -0.57 0.00 0.00 179.45 180.00 1q2r h ILE 361 N 0.94 1.28 -0.45 1.86 2.04 -0.84 -2.45 117.51 119.88 1q2r h ILE 361 Ca 0.32 -1.46 -0.14 0.00 1.00 0.00 0.00 64.86 64.58 1q2r h ILE 361 Cb 0.09 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1q2r h ILE 361 CO -0.10 0.48 -0.27 0.03 0.00 0.00 0.00 178.15 178.30 1q2r h ARG 362 N 0.66 0.98 0.01 2.37 3.08 -0.16 -2.86 114.38 118.46 1q2r h ARG 362 Ca 0.07 -0.44 -0.20 0.00 0.07 0.00 0.00 59.98 59.48 1q2r h ARG 362 Cb 0.84 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1q2r h ARG 362 CO 0.07 1.11 -0.91 -0.44 -1.07 0.00 0.00 179.97 178.73 1q2r h ASP 363 N 0.83 0.09 -0.06 7.04 3.32 -1.25 -2.68 116.42 123.71 1q2r h ASP 363 Ca 0.10 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1q2r h ASP 363 Cb 0.85 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1q2r h ASP 363 CO 0.08 0.95 -0.58 0.77 -1.72 0.00 0.00 179.24 178.74 1q2r h SER 364 N 0.03 0.73 -0.55 6.45 4.64 -1.48 -2.39 113.55 120.98 1q2r h SER 364 Ca -0.03 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 1q2r h SER 364 Cb 1.59 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 1q2r h SER 364 CO 0.13 1.15 -0.04 0.40 -0.87 0.00 0.00 176.83 177.59 1q2r h ILE 365 N 0.49 1.27 0.00 0.95 2.04 -1.54 0.33 117.51 121.06 1q2r h ILE 365 Ca 0.00 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1q2r h ILE 365 Cb 1.15 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1q2r h ILE 365 CO 0.11 0.42 0.00 -0.24 0.00 0.00 0.00 178.15 178.45 1q2r n SER 366 N -4.21 0.00 -0.38 1.72 2.88 -1.01 -2.46 113.62 110.16 1q2r n SER 366 Ca 0.02 -1.61 0.03 0.00 -1.33 0.00 0.00 58.87 55.98 1q2r n SER 366 Cb 0.36 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1q2r n SER 366 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q2r n GLU 367 N -0.62 0.39 -2.21 -1.46 1.02 -0.53 -4.99 120.64 112.24 1q2r n GLU 367 Ca 0.05 -1.49 -0.06 0.00 -0.02 0.00 0.00 57.16 55.64 1q2r n GLU 367 Cb 0.02 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 1q2r n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q2r n GLY 368 N -0.43 -0.28 0.05 0.62 0.00 -0.41 -4.75 105.19 99.99 1q2r n GLY 368 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1q2r n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q2r n ARG 369 N -2.40 1.85 -0.22 1.61 1.85 0.10 -4.77 116.66 114.69 1q2r n ARG 369 Ca -0.07 -2.12 -0.08 0.00 -1.00 0.00 0.00 57.85 54.58 1q2r n ARG 369 Cb 0.48 -1.28 0.03 0.00 -1.05 0.00 0.00 32.46 30.64 1q2r n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1q2r h PHE 370 N 0.00 1.04 -0.69 2.89 3.57 -1.73 -1.74 116.94 120.28 1q2r h PHE 370 Ca 0.00 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.44 1q2r h PHE 370 Cb 0.83 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1q2r h PHE 370 CO 0.00 0.88 0.45 1.03 -2.23 0.00 0.00 178.31 178.45 1q2r h SER 371 N 0.90 0.61 -0.03 0.41 0.87 -1.89 -0.73 113.55 113.68 1q2r h SER 371 Ca 0.19 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 1q2r h SER 371 Cb 0.37 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1q2r h SER 371 CO 0.00 0.39 -0.91 -0.61 -0.53 0.00 0.00 176.83 175.18 1q2r h GLN 372 N 0.69 0.67 -0.40 2.24 5.75 -1.86 -3.15 115.11 119.05 1q2r h GLN 372 Ca 0.30 -0.68 0.07 0.00 -0.15 0.00 0.00 58.65 58.19 1q2r h GLN 372 Cb 0.29 0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 1q2r h GLN 372 CO -0.10 1.27 0.01 0.35 -2.65 0.00 0.00 178.83 177.72 1q2r h PHE 373 N 0.33 -0.00 -0.72 3.99 3.57 -0.27 0.11 116.94 123.94 1q2r h PHE 373 Ca -0.11 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1q2r h PHE 373 Cb 1.57 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 1q2r h PHE 373 CO 0.11 -0.07 0.45 0.00 -2.23 0.00 0.00 178.31 176.57 1q2r h ALA 374 N 1.35 0.94 -0.23 2.41 0.00 -1.27 0.46 119.26 122.91 1q2r h ALA 374 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1q2r h ALA 374 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1q2r h ALA 374 CO -0.32 0.22 0.13 0.37 0.00 0.00 0.00 179.25 179.65 1q2r h GLN 375 N 0.87 0.33 -0.32 0.00 4.15 -1.34 0.17 115.11 118.97 1q2r h GLN 375 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1q2r h GLN 375 Cb 0.04 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1q2r h GLN 375 CO -0.12 0.30 0.15 -0.44 -1.93 0.00 0.00 178.83 176.79 1q2r h ASP 376 N 0.26 0.42 0.07 -0.69 5.19 -0.51 -0.36 116.42 120.81 1q2r h ASP 376 Ca 0.08 -0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1q2r h ASP 376 Cb 0.07 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1q2r h ASP 376 CO -0.01 0.45 -0.15 0.15 -3.12 0.00 0.00 179.24 176.55 1q2r h PHE 377 N 0.38 -0.40 0.25 4.55 3.57 0.19 -2.54 116.94 122.94 1q2r h PHE 377 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1q2r h PHE 377 Cb 0.14 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1q2r h PHE 377 CO -0.01 -0.23 -0.12 0.00 -2.23 0.00 0.00 178.31 175.72 1q2r h ARG 378 N -0.29 -0.33 -0.85 1.11 3.08 -0.58 -0.88 114.38 115.64 1q2r h ARG 378 Ca 0.03 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1q2r h ARG 378 Cb 0.32 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.34 1q2r h ARG 378 CO -0.10 -0.13 -0.50 0.00 -1.07 0.00 0.00 179.97 178.17 1q2r n ALA 379 N -2.31 -0.54 0.26 0.04 0.00 -0.15 -1.07 120.51 116.73 1q2r n ALA 379 Ca -0.10 0.72 0.15 0.00 0.00 0.00 0.00 53.44 54.21 1q2r n ALA 379 Cb 0.20 -0.06 0.53 0.00 0.00 0.00 0.00 19.45 20.12 1q2r n ALA 379 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1q2r h ARG 380 N 0.00 0.00 -0.59 0.00 2.43 -1.45 -3.23 114.38 111.55 1q2r h ARG 380 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1q2r h ARG 380 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1q2r h ARG 380 CO -0.79 0.04 0.00 0.98 -1.51 0.00 0.00 179.97 178.68 1q2r n TYR 381 N -3.13 0.68 -1.48 2.20 9.36 -0.24 -4.33 117.16 120.22 1q2r n TYR 381 Ca 0.01 -0.26 0.00 0.00 3.32 0.00 0.00 57.90 60.97 1q2r n TYR 381 Cb 0.38 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 1q2r n TYR 381 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27