#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp s ALA 2 N 0.00 -2.87 0.41 6.98 0.00 -1.26 -5.17 121.76 119.85 1sqp s ALA 2 Ca 0.00 1.85 -0.21 0.00 0.00 0.00 0.00 51.96 53.59 1sqp s ALA 2 Cb 0.00 -2.20 -0.11 0.00 0.00 0.00 0.00 23.12 20.81 1sqp s ALA 2 CO 0.00 -1.15 0.94 0.99 0.00 0.00 0.00 175.76 176.54 1sqp s THR 3 N 2.65 4.38 0.31 0.00 2.01 -1.26 -4.95 115.64 118.79 1sqp s THR 3 Ca 0.00 1.50 0.08 0.00 0.31 0.00 0.00 61.69 63.59 1sqp s THR 3 Cb -0.08 -3.64 0.32 0.00 0.01 0.00 0.00 72.50 69.10 1sqp s THR 3 CO -0.16 -0.27 1.66 0.22 -0.69 0.00 0.00 174.62 175.38 1sqp h TYR 4 N 2.06 0.65 0.18 4.92 3.20 -2.02 -0.98 116.97 124.98 1sqp h TYR 4 Ca -0.49 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.44 1sqp h TYR 4 Cb 1.18 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 1sqp h TYR 4 CO 0.62 -0.18 -0.38 0.00 -1.64 0.00 0.00 178.16 176.58 1sqp h ALA 5 N 1.81 -0.70 -0.86 1.82 0.00 -2.02 -2.91 119.26 116.40 1sqp h ALA 5 Ca 0.64 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1sqp h ALA 5 Cb 1.38 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1sqp h ALA 5 CO -0.62 -0.95 0.56 1.96 0.00 0.00 0.00 179.25 180.19 1sqp h GLN 6 N -0.65 0.84 -0.63 0.00 4.20 -1.58 -1.23 115.11 116.05 1sqp h GLN 6 Ca 0.01 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1sqp h GLN 6 Cb 0.66 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1sqp h GLN 6 CO -0.19 0.55 0.41 0.00 -0.67 0.00 0.00 178.83 178.94 1sqp h ALA 7 N 1.56 1.67 -0.13 3.87 0.00 -1.22 -1.77 119.26 123.24 1sqp h ALA 7 Ca 0.39 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1sqp h ALA 7 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sqp h ALA 7 CO -0.16 0.26 -0.36 -0.07 0.00 0.00 0.00 179.25 178.92 1sqp h LEU 8 N 0.73 0.28 -0.58 0.00 3.38 -1.14 -2.55 115.31 115.43 1sqp h LEU 8 Ca 0.25 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 1sqp h LEU 8 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1sqp h LEU 8 CO -0.07 0.62 -0.71 1.56 0.09 0.00 0.00 178.44 179.94 1sqp h GLN 9 N 0.23 0.01 -0.19 1.13 4.20 -1.37 -3.29 115.11 115.84 1sqp h GLN 9 Ca 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1sqp h GLN 9 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1sqp h GLN 9 CO 0.06 0.71 -0.03 0.66 -0.67 0.00 0.00 178.83 179.56 1sqp h SER 10 N 0.00 0.25 -2.47 1.46 4.64 -1.13 -3.43 113.55 112.88 1sqp h SER 10 Ca -0.01 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 1sqp h SER 10 Cb 1.26 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sqp h SER 10 CO 0.09 0.33 1.20 -0.69 -0.87 0.00 0.00 176.83 176.89 1sqp s VAL 11 N -4.93 3.31 0.46 0.95 1.01 -1.21 -4.95 120.40 115.05 1sqp s VAL 11 Ca -0.06 0.37 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 1sqp s VAL 11 Cb 0.16 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1sqp s VAL 11 CO 0.72 -0.06 1.28 -2.84 0.00 0.00 0.00 175.10 174.20 1sqp s PRO 12 N 4.56 3.65 0.20 2.72 0.02 -1.26 -4.94 135.00 139.94 1sqp s PRO 12 Ca 0.82 2.06 -0.32 0.00 0.02 0.00 0.00 61.00 63.59 1sqp s PRO 12 Cb -0.36 -2.50 -0.11 0.00 0.02 0.00 0.00 34.50 31.55 1sqp s PRO 12 CO 0.35 -0.72 1.67 -2.00 -0.33 0.00 0.00 177.00 175.97 1sqp s GLU 13 N -2.59 4.15 -0.24 5.54 2.12 -1.26 -4.86 118.70 121.56 1sqp s GLU 13 Ca 0.63 2.53 -0.29 0.00 0.36 0.00 0.00 54.97 58.21 1sqp s GLU 13 Cb -0.36 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1sqp s GLU 13 CO 0.44 -0.70 1.82 0.99 -0.54 0.00 0.00 175.26 177.27 1sqp s THR 14 N 1.11 3.43 -0.09 -1.70 2.01 -1.26 -4.80 115.64 114.35 1sqp s THR 14 Ca 0.73 0.47 -0.24 0.00 0.31 0.00 0.00 61.69 62.96 1sqp s THR 14 Cb -0.48 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1sqp s THR 14 CO 0.32 -0.26 0.72 -1.10 -0.69 0.00 0.00 174.62 173.61 1sqp s GLN 15 N 5.32 4.41 -0.11 4.92 -0.21 -0.59 -4.92 119.66 128.48 1sqp s GLN 15 Ca 0.81 0.89 0.03 0.00 0.02 0.00 0.00 55.36 57.11 1sqp s GLN 15 Cb -0.27 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.27 1sqp s GLN 15 CO 0.33 -0.01 -0.20 0.08 -2.12 0.00 0.00 175.29 173.37 1sqp s VAL 16 N 1.07 1.83 0.08 1.09 1.01 -1.26 -2.33 120.40 121.88 1sqp s VAL 16 Ca 0.37 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1sqp s VAL 16 Cb -0.18 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1sqp s VAL 16 CO 0.17 0.51 -0.13 -0.44 0.00 0.00 0.00 175.10 175.21 1sqp s SER 17 N 0.66 1.64 -0.08 3.32 0.01 -1.03 -5.06 113.70 113.15 1sqp s SER 17 Ca -0.12 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.51 1sqp s SER 17 Cb -0.16 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1sqp s SER 17 CO 0.03 -0.12 -0.18 -1.58 0.41 0.00 0.00 173.24 171.80 1sqp s GLN 18 N -1.98 2.85 0.79 12.44 0.74 -1.26 -1.65 119.66 131.58 1sqp s GLN 18 Ca -0.00 -0.77 -0.11 0.00 0.05 0.00 0.00 55.36 54.53 1sqp s GLN 18 Cb -0.08 -2.39 0.07 0.00 1.10 0.00 0.00 33.01 31.70 1sqp s GLN 18 CO 0.02 0.38 1.09 -0.51 -0.55 0.00 0.00 175.29 175.72 1sqp s LEU 19 N -0.13 2.84 0.47 3.68 1.02 -0.72 -4.98 118.68 120.86 1sqp s LEU 19 Ca -0.03 1.66 0.22 0.00 0.02 0.00 0.00 54.13 56.01 1sqp s LEU 19 Cb -0.14 -4.33 1.18 0.00 0.02 0.00 0.00 46.19 42.93 1sqp s LEU 19 CO 0.04 -2.06 1.98 0.44 0.02 0.00 0.00 176.35 176.77 1sqp h ASP 20 N -1.15 0.00 -0.60 2.29 5.19 -2.01 -2.69 116.42 117.46 1sqp h ASP 20 Ca -0.45 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.03 1sqp h ASP 20 Cb 1.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 1sqp h ASP 20 CO 0.54 0.19 0.40 0.78 -3.12 0.00 0.00 179.24 178.03 1sqp h ASN 21 N 0.00 0.49 0.00 6.45 -0.26 -1.93 -3.46 115.58 116.86 1sqp h ASN 21 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1sqp h ASN 21 Cb 0.45 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1sqp h ASN 21 CO 0.02 0.31 0.00 0.61 -1.06 0.00 0.00 177.43 177.32 1sqp n GLY 22 N -1.49 0.84 3.59 2.83 0.00 -1.01 -4.06 105.19 105.89 1sqp n GLY 22 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1sqp n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqp s LEU 23 N 0.00 3.48 -0.00 0.99 2.96 -1.19 -3.55 118.68 121.37 1sqp s LEU 23 Ca 0.00 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.24 1sqp s LEU 23 Cb 0.00 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 1sqp s LEU 23 CO 0.00 -1.64 1.33 -0.13 -1.32 0.00 0.00 176.35 174.59 1sqp s ARG 24 N 5.39 4.32 -0.24 1.98 0.52 -1.19 -1.76 118.95 127.96 1sqp s ARG 24 Ca 0.60 1.87 0.02 0.00 -0.52 0.00 0.00 55.73 57.71 1sqp s ARG 24 Cb -0.13 -3.52 0.05 0.00 0.52 0.00 0.00 34.95 31.86 1sqp s ARG 24 CO 0.29 -0.50 -0.13 0.08 0.02 0.00 0.00 175.30 175.06 1sqp s VAL 25 N 2.13 2.19 0.05 3.52 1.01 -0.66 -0.94 120.40 127.71 1sqp s VAL 25 Ca 0.61 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1sqp s VAL 25 Cb -0.30 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1sqp s VAL 25 CO 0.26 0.15 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 1sqp s ALA 26 N 1.17 0.70 -0.03 5.51 0.00 0.72 -2.47 121.76 127.35 1sqp s ALA 26 Ca -0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1sqp s ALA 26 Cb -0.18 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1sqp s ALA 26 CO -0.07 -0.00 0.27 -1.54 0.00 0.00 0.00 175.76 174.42 1sqp s SER 27 N -1.70 -0.18 -0.21 0.00 1.04 -0.98 -0.97 113.70 110.70 1sqp s SER 27 Ca -0.07 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1sqp s SER 27 Cb -0.09 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1sqp s SER 27 CO 0.00 -0.36 -0.16 -0.70 0.98 0.00 0.00 173.24 173.01 1sqp s GLU 28 N -1.01 2.79 0.35 4.02 2.12 -1.04 -1.54 118.70 124.38 1sqp s GLU 28 Ca -0.11 -0.97 -0.12 0.00 0.36 0.00 0.00 54.97 54.13 1sqp s GLU 28 Cb -0.05 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.56 1sqp s GLU 28 CO 0.03 -0.32 0.73 -1.14 -0.54 0.00 0.00 175.26 174.02 1sqp s GLN 29 N 1.25 3.87 0.34 4.30 0.74 -1.26 -2.24 119.66 126.65 1sqp s GLN 29 Ca 0.01 0.51 -0.15 0.00 0.05 0.00 0.00 55.36 55.79 1sqp s GLN 29 Cb -0.15 -2.44 0.03 0.00 1.10 0.00 0.00 33.01 31.55 1sqp s GLN 29 CO -0.10 0.09 0.68 -1.54 -0.55 0.00 0.00 175.29 173.87 1sqp s SER 30 N -2.72 0.07 -0.02 6.67 1.04 -0.46 -4.77 113.70 113.51 1sqp s SER 30 Ca 0.52 -1.04 0.07 0.00 0.48 0.00 0.00 55.95 55.98 1sqp s SER 30 Cb -0.10 0.76 0.23 0.00 0.10 0.00 0.00 66.02 67.00 1sqp s SER 30 CO 0.24 -1.48 1.10 -1.54 0.98 0.00 0.00 173.24 172.54 1sqp n SER 31 N -1.04 1.64 -4.77 7.02 3.41 -1.26 -3.53 113.62 115.09 1sqp n SER 31 Ca -0.05 -2.09 -0.39 0.00 -0.26 0.00 0.00 58.87 56.08 1sqp n SER 31 Cb 0.60 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1sqp n SER 31 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sqp s GLN 32 N -1.65 3.86 0.23 4.33 -1.52 -1.26 -4.83 119.66 118.82 1sqp s GLN 32 Ca 0.16 2.20 0.25 0.00 -1.95 0.00 0.00 55.36 56.03 1sqp s GLN 32 Cb 0.10 -2.70 0.86 0.00 -0.22 0.00 0.00 33.01 31.05 1sqp s GLN 32 CO 0.09 -0.60 1.76 -2.30 -0.25 0.00 0.00 175.29 173.99 1sqp n PRO 33 N -0.02 0.25 -4.11 2.91 -0.02 -1.26 -2.67 135.00 130.08 1sqp n PRO 33 Ca 0.04 0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.54 1sqp n PRO 33 Cb 0.43 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1sqp n PRO 33 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sqp n THR 34 N -2.27 0.00 -3.64 3.45 -2.24 -1.26 -1.50 114.28 106.82 1sqp n THR 34 Ca 0.05 -2.01 -0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1sqp n THR 34 Cb 0.37 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1sqp n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqp s THR 36 N -3.64 1.72 -0.04 0.00 2.01 -0.64 -1.63 115.64 113.42 1sqp s THR 36 Ca 0.07 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1sqp s THR 36 Cb -0.03 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1sqp s THR 36 CO -0.03 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.51 1sqp s VAL 37 N 0.39 1.47 0.23 3.82 1.01 0.18 -0.81 120.40 126.68 1sqp s VAL 37 Ca -0.15 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1sqp s VAL 37 Cb -0.17 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1sqp s VAL 37 CO 0.06 0.42 0.57 -0.83 0.00 0.00 0.00 175.10 175.32 1sqp s GLY 38 N -0.09 0.04 -0.20 4.51 0.00 0.78 0.65 107.32 113.02 1sqp s GLY 38 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1sqp s GLY 38 CO 0.01 -0.29 -0.10 0.14 0.00 0.00 0.00 173.10 172.87 1sqp s VAL 39 N -3.92 2.95 -0.22 1.40 1.01 0.53 -0.28 120.40 121.87 1sqp s VAL 39 Ca 0.13 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1sqp s VAL 39 Cb -0.02 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1sqp s VAL 39 CO 0.02 0.47 0.13 0.26 0.00 0.00 0.00 175.10 175.98 1sqp s TRP 40 N 1.27 3.31 -0.09 5.22 0.51 -0.02 -1.35 118.94 127.78 1sqp s TRP 40 Ca 0.03 0.18 0.02 0.00 -2.12 0.00 0.00 56.10 54.20 1sqp s TRP 40 Cb -0.14 -2.21 -0.02 0.00 -0.81 0.00 0.00 33.47 30.29 1sqp s TRP 40 CO -0.05 0.10 -0.15 0.42 -0.51 0.00 0.00 176.95 176.76 1sqp s ILE 41 N 0.84 2.97 -1.19 2.03 1.01 0.18 -0.47 121.20 126.56 1sqp s ILE 41 Ca 0.07 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1sqp s ILE 41 Cb -0.13 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.07 1sqp s ILE 41 CO 0.02 0.55 2.42 0.47 0.00 0.00 0.00 174.94 178.41 1sqp n ASP 42 N 3.02 6.26 -3.84 3.58 8.00 0.28 -1.49 116.55 132.36 1sqp n ASP 42 Ca -0.18 -2.43 -0.12 0.00 0.71 0.00 0.00 54.79 52.77 1sqp n ASP 42 Cb 0.52 -1.28 -0.10 0.00 -0.02 0.00 0.00 41.12 40.25 1sqp n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqp s ALA 43 N 2.99 -0.43 0.00 2.24 0.00 -1.20 -4.97 121.76 120.40 1sqp s ALA 43 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1sqp s ALA 43 Cb 0.13 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1sqp s ALA 43 CO -0.04 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1sqp n GLY 44 N 1.57 2.70 0.08 0.00 0.00 -1.26 -2.09 105.19 106.19 1sqp n GLY 44 Ca -0.22 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1sqp n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqp n SER 45 N 0.00 0.85 0.31 1.61 3.41 -0.49 -4.11 113.62 115.19 1sqp n SER 45 Ca 0.00 0.38 0.19 0.00 -0.26 0.00 0.00 58.87 59.18 1sqp n SER 45 Cb 0.00 -0.01 1.04 0.00 -0.26 0.00 0.00 64.21 64.98 1sqp n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sqp h ARG 46 N 0.00 0.00 0.00 4.33 2.43 -1.26 -1.05 114.38 118.83 1sqp h ARG 46 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1sqp h ARG 46 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1sqp h ARG 46 CO 0.08 0.00 -0.52 0.66 -1.51 0.00 0.00 179.97 178.68 1sqp n TYR 47 N -3.35 0.10 -2.42 2.20 4.01 -1.26 -4.79 117.16 111.66 1sqp n TYR 47 Ca -0.02 0.03 -0.27 0.00 -0.16 0.00 0.00 57.90 57.48 1sqp n TYR 47 Cb 0.16 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1sqp n TYR 47 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1sqp s GLU 48 N -3.04 2.97 0.01 -0.72 2.02 -0.40 -5.04 118.70 114.51 1sqp s GLU 48 Ca 0.10 0.00 0.22 0.00 0.02 0.00 0.00 54.97 55.31 1sqp s GLU 48 Cb 0.17 -2.28 -0.16 0.00 0.10 0.00 0.00 34.13 31.95 1sqp s GLU 48 CO 0.70 -0.66 0.80 0.43 0.02 0.00 0.00 175.26 176.56 1sqp n SER 49 N -2.55 0.51 0.00 -0.19 7.64 -1.26 -4.92 113.62 112.85 1sqp n SER 49 Ca 0.04 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1sqp n SER 49 Cb 0.57 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 65.03 1sqp n SER 49 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sqp n GLU 50 N -1.97 0.00 0.00 1.43 2.13 -1.26 -4.79 120.64 116.18 1sqp n GLU 50 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 1sqp n GLU 50 Cb 0.46 0.00 0.55 0.00 0.27 0.00 0.00 31.44 32.72 1sqp n GLU 50 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1sqp n LYS 51 N 0.00 0.40 -2.96 5.31 4.76 -1.26 -3.97 118.16 120.44 1sqp n LYS 51 Ca 0.00 -0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.17 1sqp n LYS 51 Cb 0.00 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1sqp n LYS 51 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1sqp n ASN 52 N -1.19 1.08 0.15 4.39 0.23 -1.26 -4.98 115.26 113.68 1sqp n ASN 52 Ca 0.11 -2.88 0.03 0.00 -0.53 0.00 0.00 54.58 51.31 1sqp n ASN 52 Cb 0.30 -0.57 0.09 0.00 -2.08 0.00 0.00 39.78 37.52 1sqp n ASN 52 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1sqp h ASN 53 N 3.00 0.00 -0.54 0.53 -0.73 -1.91 -3.07 115.58 112.86 1sqp h ASN 53 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1sqp h ASN 53 Cb 1.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1sqp h ASN 53 CO 0.50 0.47 0.00 0.61 -0.37 0.00 0.00 177.43 178.63 1sqp n GLY 54 N 1.03 2.89 0.14 1.57 0.00 -1.26 -3.35 105.19 106.21 1sqp n GLY 54 Ca 0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1sqp n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp h ALA 55 N 3.30 0.35 -0.43 4.61 0.00 -1.82 0.19 119.26 125.46 1sqp h ALA 55 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1sqp h ALA 55 Cb 1.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1sqp h ALA 55 CO 0.13 -0.09 -0.17 0.78 0.00 0.00 0.00 179.25 179.90 1sqp h GLY 56 N 0.32 0.94 1.69 0.00 0.00 -1.85 -1.86 103.07 102.30 1sqp h GLY 56 Ca 0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1sqp h GLY 56 CO -0.01 0.75 -0.05 -1.82 0.00 0.00 0.00 176.54 175.40 1sqp h TYR 57 N 0.69 0.41 -0.13 5.60 3.20 -1.65 -1.83 116.97 123.26 1sqp h TYR 57 Ca 0.10 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1sqp h TYR 57 Cb 0.72 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1sqp h TYR 57 CO 0.05 0.45 -0.15 0.35 -1.64 0.00 0.00 178.16 177.22 1sqp h PHE 58 N 0.38 0.41 -0.69 -3.82 3.04 -0.35 -2.91 116.94 112.99 1sqp h PHE 58 Ca 0.08 -0.13 0.04 0.00 3.98 0.00 0.00 57.97 61.94 1sqp h PHE 58 Cb 0.33 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1sqp h PHE 58 CO 0.01 0.75 0.42 0.28 -2.02 0.00 0.00 178.31 177.75 1sqp h VAL 59 N -0.05 1.06 -0.87 1.41 2.07 -1.04 -0.88 116.25 117.95 1sqp h VAL 59 Ca 0.02 -0.28 0.20 0.00 0.82 0.00 0.00 66.70 67.46 1sqp h VAL 59 Cb 0.69 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1sqp h VAL 59 CO 0.04 0.15 0.58 -0.08 0.02 0.00 0.00 177.57 178.27 1sqp h GLU 60 N 0.81 0.36 0.00 1.57 4.81 -1.31 0.51 114.58 121.34 1sqp h GLU 60 Ca 0.29 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1sqp h GLU 60 Cb 0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1sqp h GLU 60 CO -0.13 0.24 -0.40 0.45 -0.73 0.00 0.00 179.01 178.44 1sqp h HIS 61 N 0.38 0.00 0.00 0.92 3.86 -0.98 -3.34 115.15 115.98 1sqp h HIS 61 Ca 0.45 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.57 1sqp h HIS 61 Cb 1.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1sqp h HIS 61 CO -0.00 0.40 -1.69 1.28 0.86 0.00 0.00 177.93 178.78 1sqp n LEU 62 N -3.26 0.38 0.19 2.43 4.77 0.93 -4.59 117.00 117.86 1sqp n LEU 62 Ca 0.02 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1sqp n LEU 62 Cb 0.65 0.07 0.72 0.00 -2.33 0.00 0.00 43.42 42.53 1sqp n LEU 62 CO 0.38 0.05 1.12 0.00 -1.33 0.00 0.00 177.39 177.61 1sqp h ALA 63 N 1.75 2.02 -0.29 -1.18 0.00 -0.32 -2.40 119.26 118.85 1sqp h ALA 63 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sqp h ALA 63 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sqp h ALA 63 CO 0.01 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.25 1sqp n PHE 64 N -4.28 0.37 -0.23 0.00 3.72 -1.26 -4.57 117.46 111.20 1sqp n PHE 64 Ca 0.01 -0.25 0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1sqp n PHE 64 Cb 0.25 -0.01 0.24 0.00 -0.94 0.00 0.00 39.48 39.03 1sqp n PHE 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1sqp n LYS 65 N 1.06 2.73 0.00 -1.08 4.76 -0.90 -4.59 118.16 120.14 1sqp n LYS 65 Ca 0.14 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.23 1sqp n LYS 65 Cb 0.49 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1sqp n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sqp n GLY 66 N 1.14 4.54 3.55 0.72 0.00 -1.24 -3.52 105.19 110.39 1sqp n GLY 66 Ca 0.18 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1sqp n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqp s THR 67 N -1.55 0.71 0.35 2.61 -4.23 0.17 -1.97 115.64 111.74 1sqp s THR 67 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1sqp s THR 67 Cb 0.00 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.62 1sqp s THR 67 CO 0.00 0.00 1.85 0.11 -0.54 0.00 0.00 174.62 176.04 1sqp h LYS 68 N 1.73 0.30 0.00 3.99 1.57 -1.90 -2.67 116.57 119.59 1sqp h LYS 68 Ca -0.37 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.08 1sqp h LYS 68 Cb 1.28 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1sqp h LYS 68 CO 0.60 0.48 -1.79 0.09 -0.57 0.00 0.00 179.45 178.26 1sqp n ASN 69 N -4.21 0.61 -3.72 0.86 3.02 -1.26 -4.67 115.26 105.89 1sqp n ASN 69 Ca -0.01 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 1sqp n ASN 69 Cb 0.32 0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 39.76 1sqp n ASN 69 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sqp s ARG 70 N -2.73 1.79 0.21 3.52 0.52 -1.19 -5.07 118.95 115.99 1sqp s ARG 70 Ca -0.06 -2.74 -0.30 0.00 -0.52 0.00 0.00 55.73 52.11 1sqp s ARG 70 Cb 0.08 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 1sqp s ARG 70 CO 0.83 -1.29 1.32 -1.25 0.02 0.00 0.00 175.30 174.92 1sqp s PRO 71 N -0.68 4.38 7.39 3.54 0.04 -1.01 0.46 135.00 149.11 1sqp s PRO 71 Ca 0.26 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1sqp s PRO 71 Cb -0.06 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1sqp s PRO 71 CO -0.15 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1sqp n GLY 72 N 2.28 3.39 0.27 0.56 0.00 -1.23 -2.82 105.19 107.64 1sqp n GLY 72 Ca 0.06 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 1sqp n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sqp h ASN 73 N 0.00 -0.77 -0.30 1.61 -0.26 -1.88 -3.28 115.58 110.70 1sqp h ASN 73 Ca 0.00 0.15 0.07 0.00 -0.56 0.00 0.00 56.30 55.96 1sqp h ASN 73 Cb 0.00 0.38 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 1sqp h ASN 73 CO 0.00 -0.27 -0.03 0.00 -1.06 0.00 0.00 177.43 176.07 1sqp n ALA 74 N -2.85 0.11 0.50 -0.83 0.00 -1.13 -0.74 120.51 115.57 1sqp n ALA 74 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1sqp n ALA 74 Cb 0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 1sqp n ALA 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sqp h LEU 75 N 0.00 -1.19 -0.58 0.00 5.85 -1.79 -1.47 115.31 116.13 1sqp h LEU 75 Ca 0.16 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1sqp h LEU 75 Cb 0.30 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 1sqp h LEU 75 CO -0.29 -0.80 -0.56 -0.33 -0.34 0.00 0.00 178.44 176.11 1sqp h GLU 76 N -1.31 -0.27 -0.95 1.25 5.08 -1.18 -0.46 114.58 116.73 1sqp h GLU 76 Ca -0.13 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.51 1sqp h GLU 76 Cb 1.02 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 1sqp h GLU 76 CO 0.18 -0.18 0.47 0.87 -1.00 0.00 0.00 179.01 179.36 1sqp h LYS 77 N -0.28 0.39 0.15 2.33 1.57 -1.44 0.53 116.57 119.82 1sqp h LYS 77 Ca 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1sqp h LYS 77 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1sqp h LYS 77 CO -0.70 0.26 -0.07 1.49 -0.57 0.00 0.00 179.45 179.85 1sqp h GLU 78 N 0.40 -0.20 -0.03 3.15 4.81 -0.02 -1.65 114.58 121.04 1sqp h GLU 78 Ca 0.63 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1sqp h GLU 78 Cb 1.29 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1sqp h GLU 78 CO -0.56 0.21 0.02 0.28 -0.73 0.00 0.00 179.01 178.23 1sqp h VAL 79 N -0.69 1.10 -0.28 0.32 2.07 -0.03 -2.71 116.25 116.03 1sqp h VAL 79 Ca -0.02 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1sqp h VAL 79 Cb 0.50 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1sqp h VAL 79 CO 0.03 0.08 -0.05 -0.08 0.02 0.00 0.00 177.57 177.57 1sqp h GLU 80 N -0.06 0.02 0.00 1.57 4.81 -0.09 -1.98 114.58 118.84 1sqp h GLU 80 Ca 0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1sqp h GLU 80 Cb 0.11 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1sqp h GLU 80 CO -0.00 0.01 -0.07 0.77 -0.73 0.00 0.00 179.01 178.99 1sqp h SER 81 N 0.02 0.00 0.09 1.04 0.02 -0.99 0.17 113.55 113.89 1sqp h SER 81 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1sqp h SER 81 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1sqp h SER 81 CO -0.27 0.07 -0.23 1.15 -1.14 0.00 0.00 176.83 176.41 1sqp n MET 82 N -3.38 1.29 -0.62 3.45 0.00 -1.07 -4.95 117.12 111.85 1sqp n MET 82 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 57.70 56.79 1sqp n MET 82 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1sqp n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sqp n GLY 83 N 1.33 0.71 3.83 3.17 0.00 0.59 -4.84 105.19 109.97 1sqp n GLY 83 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1sqp n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp s ALA 84 N -2.17 2.69 -0.06 4.61 0.00 -0.76 -4.94 121.76 121.13 1sqp s ALA 84 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1sqp s ALA 84 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1sqp s ALA 84 CO 0.00 -1.21 -0.20 -1.01 0.00 0.00 0.00 175.76 173.34 1sqp s HIS 85 N -3.10 2.56 -0.12 0.00 0.09 0.36 -4.47 115.29 110.60 1sqp s HIS 85 Ca 0.58 -0.46 0.01 0.00 -0.00 0.00 0.00 55.06 55.19 1sqp s HIS 85 Cb -0.13 -1.62 0.02 0.00 -0.00 0.00 0.00 32.58 30.84 1sqp s HIS 85 CO 0.55 -0.04 -0.13 -1.17 -0.00 0.00 0.00 174.74 173.95 1sqp s LEU 86 N -0.38 1.56 0.25 0.89 2.96 -1.26 -0.50 118.68 122.20 1sqp s LEU 86 Ca 0.03 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1sqp s LEU 86 Cb -0.12 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1sqp s LEU 86 CO 0.02 -0.04 0.03 0.21 -1.32 0.00 0.00 176.35 175.25 1sqp s ASN 87 N 1.29 1.70 0.05 3.68 2.47 -0.07 -5.01 114.94 119.05 1sqp s ASN 87 Ca -0.01 -1.29 -0.13 0.00 0.42 0.00 0.00 52.86 51.85 1sqp s ASN 87 Cb -0.14 0.04 0.02 0.00 -1.45 0.00 0.00 41.25 39.72 1sqp s ASN 87 CO -0.06 -0.59 0.29 0.00 -3.72 0.00 0.00 177.10 173.02 1sqp s ALA 88 N -3.51 -0.63 0.08 1.71 0.00 -1.26 -1.50 121.76 116.64 1sqp s ALA 88 Ca 0.32 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1sqp s ALA 88 Cb 0.07 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1sqp s ALA 88 CO 0.11 -0.43 0.42 1.52 0.00 0.00 0.00 175.76 177.38 1sqp s TYR 89 N -2.75 -0.26 -0.05 0.00 1.13 -0.29 -5.01 117.35 110.12 1sqp s TYR 89 Ca -0.04 0.12 -0.02 0.00 -1.41 0.00 0.00 57.07 55.72 1sqp s TYR 89 Cb -0.00 0.25 0.04 0.00 -1.10 0.00 0.00 41.96 41.15 1sqp s TYR 89 CO -0.05 -0.63 0.09 -1.12 -2.51 0.00 0.00 175.55 171.33 1sqp s SER 90 N -2.32 0.97 0.22 -0.18 0.01 -1.26 -1.29 113.70 109.84 1sqp s SER 90 Ca -0.02 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.43 1sqp s SER 90 Cb 0.00 -0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.26 1sqp s SER 90 CO -0.06 -0.24 0.27 0.35 0.41 0.00 0.00 173.24 173.96 1sqp n THR 91 N 5.26 0.00 0.39 1.44 -2.24 0.04 -4.98 114.28 114.20 1sqp n THR 91 Ca -0.05 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1sqp n THR 91 Cb 0.50 -0.88 0.51 0.00 -2.10 0.00 0.00 70.33 68.36 1sqp n THR 91 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sqp h ARG 92 N 0.00 0.00 0.00 -0.78 3.08 -1.93 -3.30 114.38 111.45 1sqp h ARG 92 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1sqp h ARG 92 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1sqp h ARG 92 CO 0.12 0.00 -0.86 -1.91 -1.07 0.00 0.00 179.97 176.25 1sqp n GLU 93 N -2.46 0.81 -3.84 0.04 2.13 -1.26 -1.00 120.64 115.05 1sqp n GLU 93 Ca 0.02 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 1sqp n GLU 93 Cb 0.28 -0.93 -0.13 0.00 0.27 0.00 0.00 31.44 30.93 1sqp n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1sqp s HIS 94 N -1.73 -0.09 -0.05 4.31 3.76 -0.97 -3.22 115.29 117.30 1sqp s HIS 94 Ca 0.00 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 1sqp s HIS 94 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1sqp s HIS 94 CO 0.00 -0.08 -0.13 0.99 -0.85 0.00 0.00 174.74 174.67 1sqp s THR 95 N -0.11 1.13 -0.00 1.30 2.01 -0.56 -0.78 115.64 118.64 1sqp s THR 95 Ca -0.02 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1sqp s THR 95 Cb -0.02 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 1sqp s THR 95 CO 0.00 0.34 -0.03 0.00 -0.69 0.00 0.00 174.62 174.24 1sqp s ALA 96 N 0.30 0.30 -0.13 7.40 0.00 -0.41 0.49 121.76 129.70 1sqp s ALA 96 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1sqp s ALA 96 Cb -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1sqp s ALA 96 CO 0.02 0.06 -0.14 0.71 0.00 0.00 0.00 175.76 176.41 1sqp s TYR 97 N -0.00 2.09 0.06 0.00 2.02 -0.45 -1.14 117.35 119.92 1sqp s TYR 97 Ca 0.00 -1.11 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 1sqp s TYR 97 Cb -0.02 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1sqp s TYR 97 CO -0.00 -0.60 -0.09 1.52 -1.57 0.00 0.00 175.55 174.80 1sqp s TYR 98 N 1.34 0.87 -0.15 2.71 -0.85 -0.56 -0.35 117.35 120.36 1sqp s TYR 98 Ca 0.01 -0.57 0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1sqp s TYR 98 Cb -0.13 -0.50 0.00 0.00 0.38 0.00 0.00 41.96 41.71 1sqp s TYR 98 CO -0.08 -0.05 -0.17 0.42 -1.52 0.00 0.00 175.55 174.15 1sqp s ILE 99 N -1.80 2.50 -0.28 -3.49 1.01 0.21 -0.89 121.20 118.46 1sqp s ILE 99 Ca -0.03 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1sqp s ILE 99 Cb -0.07 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1sqp s ILE 99 CO 0.00 0.52 0.47 -0.54 0.00 0.00 0.00 174.94 175.39 1sqp s LYS 100 N 0.81 3.99 0.24 2.79 1.02 0.35 -0.65 119.74 128.29 1sqp s LYS 100 Ca -0.06 0.16 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 1sqp s LYS 100 Cb -0.15 -3.68 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 1sqp s LYS 100 CO -0.01 -0.37 0.40 0.00 -0.92 0.00 0.00 175.35 174.46 1sqp s ALA 101 N 2.24 0.07 0.51 5.17 0.00 -0.64 -0.49 121.76 128.62 1sqp s ALA 101 Ca 0.19 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 1sqp s ALA 101 Cb -0.16 1.14 -0.07 0.00 0.00 0.00 0.00 23.12 24.04 1sqp s ALA 101 CO 0.10 -0.80 1.24 1.28 0.00 0.00 0.00 175.76 177.58 1sqp n LEU 102 N -0.36 4.57 -0.35 0.00 4.77 -1.26 -0.81 117.00 123.56 1sqp n LEU 102 Ca -0.01 0.99 0.02 0.00 -0.03 0.00 0.00 56.01 56.98 1sqp n LEU 102 Cb 0.63 -1.51 0.17 0.00 -2.33 0.00 0.00 43.42 40.38 1sqp n LEU 102 CO 0.25 -0.88 1.23 0.28 -1.33 0.00 0.00 177.39 176.94 1sqp h SER 103 N 1.47 0.95 0.27 -1.43 0.02 -1.48 -1.39 113.55 111.97 1sqp h SER 103 Ca -0.49 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1sqp h SER 103 Cb 1.31 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1sqp h SER 103 CO 0.57 0.60 -0.06 0.07 -1.14 0.00 0.00 176.83 176.87 1sqp h LYS 104 N 1.08 0.00 -0.07 3.45 2.10 -1.88 -2.35 116.57 118.91 1sqp h LYS 104 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1sqp h LYS 104 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1sqp h LYS 104 CO -0.18 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 177.08 1sqp n ASP 105 N -3.51 1.17 -0.33 7.07 8.00 -0.53 -4.35 116.55 124.07 1sqp n ASP 105 Ca -0.02 -1.51 0.10 0.00 0.71 0.00 0.00 54.79 54.07 1sqp n ASP 105 Cb 0.17 -0.04 0.30 0.00 -0.02 0.00 0.00 41.12 41.53 1sqp n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1sqp h LEU 106 N 1.68 0.82 -0.46 0.64 5.85 -1.42 -0.97 115.31 121.45 1sqp h LEU 106 Ca 0.00 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1sqp h LEU 106 Cb 0.36 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1sqp h LEU 106 CO 0.00 0.39 0.12 1.55 -0.34 0.00 0.00 178.44 180.16 1sqp h PRO 107 N 0.85 0.25 -0.00 5.25 0.13 -1.84 -1.51 132.00 135.12 1sqp h PRO 107 Ca 0.50 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.43 1sqp h PRO 107 Cb 0.66 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1sqp h PRO 107 CO -0.28 0.17 -0.85 -0.22 -0.23 0.00 0.00 178.00 176.59 1sqp h LYS 108 N 0.26 0.20 -0.14 0.86 1.63 -1.77 -2.57 116.57 115.03 1sqp h LYS 108 Ca 0.23 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1sqp h LYS 108 Cb 0.28 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1sqp h LYS 108 CO -0.28 0.93 0.09 0.00 -3.45 0.00 0.00 179.45 176.74 1sqp h ALA 109 N 1.00 0.17 -0.39 5.00 0.00 -0.96 0.11 119.26 124.20 1sqp h ALA 109 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1sqp h ALA 109 Cb 1.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1sqp h ALA 109 CO 0.13 -0.34 0.06 0.28 0.00 0.00 0.00 179.25 179.39 1sqp h VAL 110 N 0.18 1.24 -0.63 0.00 2.07 -1.31 -2.19 116.25 115.62 1sqp h VAL 110 Ca 0.05 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1sqp h VAL 110 Cb -0.01 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1sqp h VAL 110 CO -0.01 0.29 0.29 -0.08 0.02 0.00 0.00 177.57 178.09 1sqp h GLU 111 N 0.48 0.51 -0.34 1.57 4.81 -1.12 -0.14 114.58 120.36 1sqp h GLU 111 Ca 0.12 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1sqp h GLU 111 Cb 0.36 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1sqp h GLU 111 CO 0.01 0.34 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.21 1sqp h LEU 112 N 0.53 0.80 -1.05 1.64 3.38 -0.54 -2.03 115.31 118.04 1sqp h LEU 112 Ca 0.30 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1sqp h LEU 112 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sqp h LEU 112 CO -0.24 1.08 0.09 -0.07 0.09 0.00 0.00 178.44 179.38 1sqp h LEU 113 N 0.64 0.72 -0.19 1.67 3.38 -0.74 0.82 115.31 121.60 1sqp h LEU 113 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sqp h LEU 113 Cb 0.89 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1sqp h LEU 113 CO 0.08 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.42 1sqp h ALA 114 N 1.36 0.24 -0.43 1.53 0.00 -0.68 -0.49 119.26 120.79 1sqp h ALA 114 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sqp h ALA 114 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sqp h ALA 114 CO 0.00 -0.17 0.20 0.22 0.00 0.00 0.00 179.25 179.51 1sqp h ASP 115 N 0.16 0.56 -0.24 0.00 3.58 -0.66 -1.61 116.42 118.21 1sqp h ASP 115 Ca 0.06 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1sqp h ASP 115 Cb 0.16 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1sqp h ASP 115 CO -0.01 0.54 0.15 0.40 -2.88 0.00 0.00 179.24 177.44 1sqp h ILE 116 N 0.55 1.05 0.00 2.25 2.04 -0.76 0.29 117.51 122.93 1sqp h ILE 116 Ca 0.15 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1sqp h ILE 116 Cb 0.13 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1sqp h ILE 116 CO -0.02 0.06 0.00 1.62 0.00 0.00 0.00 178.15 179.81 1sqp h VAL 117 N 0.31 0.00 0.00 1.67 3.04 -0.75 -3.34 116.25 117.18 1sqp h VAL 117 Ca 0.09 -0.60 -0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1sqp h VAL 117 Cb -0.03 1.57 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1sqp h VAL 117 CO -0.03 0.00 -1.02 0.00 -1.01 0.00 0.00 177.57 175.51 1sqp n GLN 118 N -2.58 3.39 -2.18 4.17 6.02 -0.64 -4.85 117.38 120.72 1sqp n GLN 118 Ca 0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 1sqp n GLN 118 Cb 0.42 -1.01 0.02 0.00 1.02 0.00 0.00 30.24 30.70 1sqp n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sqp n ASN 119 N -2.08 4.46 -4.58 1.08 4.13 0.08 -5.05 115.26 113.30 1sqp n ASN 119 Ca -0.00 -3.53 -0.40 0.00 1.68 0.00 0.00 54.58 52.33 1sqp n ASN 119 Cb 0.51 -0.37 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1sqp n ASN 119 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqp n SER 121 N 13.17 3.58 -3.22 0.00 7.64 -0.83 -4.88 113.62 129.08 1sqp n SER 121 Ca 0.31 -2.76 -0.28 0.00 1.01 0.00 0.00 58.87 57.15 1sqp n SER 121 Cb 0.49 -1.73 -0.02 0.00 -1.01 0.00 0.00 64.21 61.94 1sqp n SER 121 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sqp n LEU 122 N 12.58 6.26 -4.68 -3.43 4.77 -1.26 -4.77 117.00 126.47 1sqp n LEU 122 Ca 0.46 -3.40 -0.42 0.00 -0.03 0.00 0.00 56.01 52.62 1sqp n LEU 122 Cb 0.46 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 1sqp n LEU 122 CO 0.71 1.12 1.53 -0.70 -1.33 0.00 0.00 177.39 178.73 1sqp s GLU 123 N 2.98 4.14 0.54 3.23 2.12 -1.26 -4.84 118.70 125.61 1sqp s GLU 123 Ca 0.50 2.61 0.27 0.00 0.36 0.00 0.00 54.97 58.71 1sqp s GLU 123 Cb 0.13 -3.84 1.44 0.00 0.26 0.00 0.00 34.13 32.12 1sqp s GLU 123 CO -0.04 -0.89 1.96 -0.44 -0.54 0.00 0.00 175.26 175.31 1sqp h ASP 124 N 9.45 0.00 -0.40 -1.70 3.32 -2.00 0.22 116.42 125.32 1sqp h ASP 124 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1sqp h ASP 124 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1sqp h ASP 124 CO 0.95 0.00 -0.16 0.77 -1.72 0.00 0.00 179.24 179.08 1sqp h SER 125 N 0.00 0.88 0.29 6.45 4.64 -2.00 -2.65 113.55 121.16 1sqp h SER 125 Ca 0.28 -0.30 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1sqp h SER 125 Cb 1.18 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1sqp h SER 125 CO -0.00 1.03 -0.96 -0.61 -0.87 0.00 0.00 176.83 175.42 1sqp h GLN 126 N 0.77 0.46 -0.27 4.77 5.75 -0.96 -2.50 115.11 123.14 1sqp h GLN 126 Ca 0.12 -0.49 -0.05 0.00 -0.15 0.00 0.00 58.65 58.07 1sqp h GLN 126 Cb 0.69 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 1sqp h GLN 126 CO 0.05 1.14 -0.06 -0.84 -2.65 0.00 0.00 178.83 176.47 1sqp h ILE 127 N 0.26 1.20 -0.26 2.39 -0.00 -1.36 -0.08 117.51 119.65 1sqp h ILE 127 Ca -0.09 -0.82 -0.16 0.00 -0.00 0.00 0.00 64.86 63.79 1sqp h ILE 127 Cb 1.60 1.07 -0.00 0.00 -0.00 0.00 0.00 36.82 39.48 1sqp h ILE 127 CO 0.17 0.27 -0.50 -0.08 -0.00 0.00 0.00 178.15 178.01 1sqp h GLU 128 N 0.40 0.71 -0.45 0.16 4.57 -1.48 -0.52 114.58 117.99 1sqp h GLU 128 Ca 0.08 -0.42 -0.09 0.00 -1.18 0.00 0.00 59.36 57.75 1sqp h GLU 128 Cb 0.37 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1sqp h GLU 128 CO 0.02 1.04 -0.08 0.87 -1.18 0.00 0.00 179.01 179.68 1sqp h LYS 129 N 0.56 0.79 0.00 1.92 1.57 -1.02 -3.08 116.57 117.31 1sqp h LYS 129 Ca 0.02 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1sqp h LYS 129 Cb 1.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1sqp h LYS 129 CO 0.10 0.85 -0.56 0.93 -0.57 0.00 0.00 179.45 180.20 1sqp h GLU 130 N 0.72 0.00 -0.42 3.15 4.39 -0.80 -2.73 114.58 118.89 1sqp h GLU 130 Ca 0.13 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.90 1sqp h GLU 130 Cb 0.56 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 1sqp h GLU 130 CO 0.03 0.56 0.05 -0.09 -1.16 0.00 0.00 179.01 178.41 1sqp h ARG 131 N 0.00 0.17 -0.39 2.33 2.43 -1.00 0.42 114.38 118.34 1sqp h ARG 131 Ca -0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1sqp h ARG 131 Cb 1.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1sqp h ARG 131 CO 0.07 0.11 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.04 1sqp h ASP 132 N 0.17 0.82 -0.04 -3.80 3.32 -1.55 -1.72 116.42 113.63 1sqp h ASP 132 Ca 0.21 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1sqp h ASP 132 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1sqp h ASP 132 CO -0.30 1.03 -0.06 0.58 -1.72 0.00 0.00 179.24 178.78 1sqp h VAL 133 N 0.61 0.84 -0.45 -1.35 2.07 -1.27 0.31 116.25 117.01 1sqp h VAL 133 Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1sqp h VAL 133 Cb 0.71 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1sqp h VAL 133 CO 0.05 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.10 1sqp h ILE 134 N -0.08 1.25 -0.87 4.57 2.04 -0.88 -0.81 117.51 122.73 1sqp h ILE 134 Ca 0.04 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1sqp h ILE 134 Cb 0.13 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1sqp h ILE 134 CO -0.09 0.32 0.53 -0.07 0.00 0.00 0.00 178.15 178.84 1sqp h LEU 135 N 0.61 1.03 -0.68 1.44 3.38 -1.15 -0.35 115.31 119.59 1sqp h LEU 135 Ca 0.14 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1sqp h LEU 135 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sqp h LEU 135 CO 0.01 0.79 -0.19 1.56 0.09 0.00 0.00 178.44 180.70 1sqp h GLN 136 N 1.19 0.82 0.00 1.13 1.08 -0.47 -2.54 115.11 116.32 1sqp h GLN 136 Ca 0.31 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1sqp h GLN 136 Cb -0.06 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1sqp h GLN 136 CO -0.06 0.94 -0.14 0.93 -0.95 0.00 0.00 178.83 179.55 1sqp h GLU 137 N 0.73 0.00 -0.27 1.46 5.08 -0.53 -1.98 114.58 119.07 1sqp h GLU 137 Ca 0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1sqp h GLU 137 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sqp h GLU 137 CO 0.05 0.14 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.64 1sqp h LEU 138 N 0.00 0.81 -0.64 1.33 3.38 -0.65 -1.77 115.31 117.77 1sqp h LEU 138 Ca -0.00 -0.41 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 1sqp h LEU 138 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1sqp h LEU 138 CO 0.02 1.17 -0.54 -0.61 0.09 0.00 0.00 178.44 178.57 1sqp h GLN 139 N 0.58 0.39 -0.17 1.13 5.75 -1.27 -2.69 115.11 118.83 1sqp h GLN 139 Ca 0.03 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1sqp h GLN 139 Cb 1.07 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 1sqp h GLN 139 CO 0.10 0.83 0.03 0.93 -2.65 0.00 0.00 178.83 178.08 1sqp h GLU 140 N 0.31 0.29 -0.46 1.69 5.08 -1.29 -3.23 114.58 116.96 1sqp h GLU 140 Ca 0.01 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1sqp h GLU 140 Cb 1.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1sqp h GLU 140 CO 0.09 0.45 0.16 -0.91 -1.00 0.00 0.00 179.01 177.80 1sqp h ASN 141 N 0.08 0.60 -1.03 1.42 4.21 -1.23 -2.95 115.58 116.68 1sqp h ASN 141 Ca 0.05 -0.08 0.29 0.00 1.21 0.00 0.00 56.30 57.78 1sqp h ASN 141 Cb 0.30 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.30 1sqp h ASN 141 CO 0.00 0.57 0.73 0.44 -1.29 0.00 0.00 177.43 177.88 1sqp h ASP 142 N 0.66 0.06 0.41 5.81 5.19 -1.49 0.18 116.42 127.24 1sqp h ASP 142 Ca 0.16 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1sqp h ASP 142 Cb 0.17 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1sqp h ASP 142 CO -0.01 0.02 -0.11 0.35 -3.12 0.00 0.00 179.24 176.36 1sqp n THR 143 N -4.28 0.00 -3.30 0.35 -2.24 -1.11 -4.60 114.28 99.09 1sqp n THR 143 Ca 0.22 -0.05 -0.47 0.00 -2.27 0.00 0.00 64.05 61.48 1sqp n THR 143 Cb 1.06 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1sqp n THR 143 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sqp s SER 144 N -2.53 6.59 0.32 3.42 0.15 0.64 -4.94 113.70 117.35 1sqp s SER 144 Ca 0.27 -2.40 0.09 0.00 0.70 0.00 0.00 55.95 54.62 1sqp s SER 144 Cb 0.20 -2.22 0.88 0.00 -1.71 0.00 0.00 66.02 63.17 1sqp s SER 144 CO 0.49 -0.68 1.73 0.24 1.20 0.00 0.00 173.24 176.22 1sqp h MET 145 N 8.14 0.57 -0.36 5.44 0.00 -1.82 -0.12 114.93 126.79 1sqp h MET 145 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 59.70 59.65 1sqp h MET 145 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 31.60 32.51 1sqp h MET 145 CO 0.85 0.38 0.19 -0.09 0.00 0.00 0.00 176.91 178.24 1sqp h ARG 146 N 0.59 0.50 -0.51 1.72 1.12 -1.94 -0.65 114.38 115.20 1sqp h ARG 146 Ca 0.64 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 59.43 1sqp h ARG 146 Cb 1.21 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.05 1sqp h ARG 146 CO -0.47 0.41 0.21 -0.44 -3.11 0.00 0.00 179.97 176.57 1sqp h ASP 147 N 0.45 0.66 0.55 -3.80 5.19 -1.36 -2.92 116.42 115.20 1sqp h ASP 147 Ca 0.13 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1sqp h ASP 147 Cb 0.06 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.41 1sqp h ASP 147 CO -0.02 0.59 -0.27 0.58 -3.12 0.00 0.00 179.24 177.01 1sqp h VAL 148 N 0.72 0.11 -0.47 -1.35 2.07 -1.09 -2.62 116.25 113.63 1sqp h VAL 148 Ca 0.18 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.34 1sqp h VAL 148 Cb 0.14 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1sqp h VAL 148 CO -0.02 0.02 0.33 0.58 0.02 0.00 0.00 177.57 178.50 1sqp h VAL 149 N -1.15 0.86 -0.01 2.57 2.07 -1.07 0.39 116.25 119.91 1sqp h VAL 149 Ca -0.08 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 1sqp h VAL 149 Cb 0.61 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1sqp h VAL 149 CO 0.12 0.04 -0.91 -0.26 0.02 0.00 0.00 177.57 176.58 1sqp h PHE 150 N 0.20 0.62 -0.34 1.57 -1.00 -1.59 0.13 116.94 116.53 1sqp h PHE 150 Ca 0.22 -0.33 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1sqp h PHE 150 Cb 0.60 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 1sqp h PHE 150 CO -0.00 1.14 0.04 -0.91 -1.61 0.00 0.00 178.31 176.97 1sqp h ASN 151 N 0.25 0.56 -0.57 2.17 2.35 -0.05 -0.21 115.58 120.08 1sqp h ASN 151 Ca -0.07 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 1sqp h ASN 151 Cb 1.54 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.72 1sqp h ASN 151 CO 0.16 0.69 0.32 1.88 -1.65 0.00 0.00 177.43 178.83 1sqp h TYR 152 N 0.41 0.59 -0.81 1.19 -1.99 -0.41 0.27 116.97 116.23 1sqp h TYR 152 Ca 0.10 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1sqp h TYR 152 Cb 0.38 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.89 1sqp h TYR 152 CO 0.03 0.31 0.41 1.25 -0.00 0.00 0.00 178.16 180.16 1sqp h LEU 153 N 0.62 1.03 -0.66 3.88 5.85 -0.57 -1.26 115.31 124.20 1sqp h LEU 153 Ca 0.24 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1sqp h LEU 153 Cb 0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1sqp h LEU 153 CO -0.13 0.86 0.17 0.45 -0.34 0.00 0.00 178.44 179.45 1sqp h HIS 154 N 1.13 1.10 -0.49 1.25 3.86 -0.36 -0.48 115.15 121.17 1sqp h HIS 154 Ca 0.28 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1sqp h HIS 154 Cb 0.08 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1sqp h HIS 154 CO 0.01 0.90 0.01 0.00 0.86 0.00 0.00 177.93 179.71 1sqp h ALA 155 N 1.07 1.10 0.12 2.45 0.00 -0.00 -1.58 119.26 122.42 1sqp h ALA 155 Ca 0.21 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1sqp h ALA 155 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1sqp h ALA 155 CO -0.00 0.57 -1.92 0.00 0.00 0.00 0.00 179.25 177.90 1sqp h THR 156 N 0.75 0.70 -0.53 0.00 1.03 -1.14 -2.51 112.91 111.22 1sqp h THR 156 Ca 0.15 -2.42 -0.11 0.00 -0.01 0.00 0.00 66.41 64.02 1sqp h THR 156 Cb 0.45 2.54 -0.02 0.00 -1.07 0.00 0.00 68.15 70.05 1sqp h THR 156 CO 0.02 0.85 -0.10 0.00 -0.01 0.00 0.00 175.52 176.28 1sqp h ALA 157 N 0.20 0.83 -0.51 0.00 0.00 -1.12 -3.18 119.26 115.48 1sqp h ALA 157 Ca -0.39 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.00 1sqp h ALA 157 Cb 2.04 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 1sqp h ALA 157 CO 0.10 0.66 0.12 1.19 0.00 0.00 0.00 179.25 181.32 1sqp n PHE 158 N -4.15 1.66 -0.38 0.00 3.72 -0.59 0.49 117.46 118.21 1sqp n PHE 158 Ca 0.02 -1.29 -0.16 0.00 -0.05 0.00 0.00 57.45 55.97 1sqp n PHE 158 Cb 0.39 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 1sqp n PHE 158 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1sqp n GLN 159 N -0.65 0.00 -0.74 -1.08 6.02 -0.94 -0.28 117.38 119.71 1sqp n GLN 159 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1sqp n GLN 159 Cb 1.17 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 32.07 1sqp n GLN 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqp n GLY 160 N 1.22 1.12 3.82 1.08 0.00 -1.26 -4.91 105.19 106.25 1sqp n GLY 160 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1sqp n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqp s THR 161 N -3.31 3.79 0.50 2.61 -4.23 0.62 -5.01 115.64 110.62 1sqp s THR 161 Ca 0.00 -1.44 0.34 0.00 -1.18 0.00 0.00 61.69 59.41 1sqp s THR 161 Cb 0.00 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.98 1sqp s THR 161 CO 0.00 -0.25 2.20 -0.65 -0.54 0.00 0.00 174.62 175.38 1sqp h PRO 162 N 1.39 0.00 0.00 3.99 0.11 -1.87 -2.10 132.00 133.53 1sqp h PRO 162 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1sqp h PRO 162 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sqp h PRO 162 CO 0.60 0.04 -0.11 1.25 -0.21 0.00 0.00 178.00 179.57 1sqp h LEU 163 N 0.00 0.00 -1.84 2.35 5.85 -1.86 -2.83 115.31 116.98 1sqp h LEU 163 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1sqp h LEU 163 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1sqp h LEU 163 CO 0.01 0.11 -0.14 0.00 -0.34 0.00 0.00 178.44 178.07 1sqp h ALA 164 N 1.89 1.36 -2.45 1.25 0.00 -1.43 -3.44 119.26 116.45 1sqp h ALA 164 Ca -0.00 -0.13 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 1sqp h ALA 164 Cb 0.65 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.45 1sqp h ALA 164 CO 0.01 0.18 0.41 -0.65 0.00 0.00 0.00 179.25 179.20 1sqp s GLN 165 N -4.28 3.72 0.67 0.00 -0.21 -1.07 -3.46 119.66 115.04 1sqp s GLN 165 Ca -0.03 1.48 -0.10 0.00 0.02 0.00 0.00 55.36 56.72 1sqp s GLN 165 Cb 0.14 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 32.01 1sqp s GLN 165 CO 0.61 -0.52 1.05 -1.54 -2.12 0.00 0.00 175.29 172.77 1sqp s SER 166 N -1.83 5.62 0.13 5.90 1.04 -1.26 -4.93 113.70 118.37 1sqp s SER 166 Ca 0.67 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 58.09 1sqp s SER 166 Cb -0.20 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1sqp s SER 166 CO 0.24 -1.20 1.47 0.58 0.98 0.00 0.00 173.24 175.30 1sqp h VAL 167 N -0.50 1.28 0.00 5.02 2.07 -1.92 -3.29 116.25 118.90 1sqp h VAL 167 Ca -0.45 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1sqp h VAL 167 Cb 1.24 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1sqp h VAL 167 CO 0.63 0.49 0.00 1.05 0.02 0.00 0.00 177.57 179.76 1sqp h GLU 168 N 0.66 0.00 -0.20 1.57 9.09 -1.92 -3.38 114.58 120.40 1sqp h GLU 168 Ca 0.06 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.50 1sqp h GLU 168 Cb 0.90 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.99 1sqp h GLU 168 CO 0.08 0.00 -0.05 0.41 0.05 0.00 0.00 179.01 179.50 1sqp n GLY 169 N 1.04 -2.01 3.86 1.06 0.00 -1.21 -4.12 105.19 103.81 1sqp n GLY 169 Ca 0.04 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1sqp n GLY 169 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqp s PRO 170 N -2.11 3.40 0.25 1.61 0.04 -1.26 -4.89 135.00 132.03 1sqp s PRO 170 Ca 0.00 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 1sqp s PRO 170 Cb 0.00 -2.06 0.49 0.00 0.04 0.00 0.00 34.50 32.97 1sqp s PRO 170 CO 0.00 -0.72 1.71 0.77 0.04 0.00 0.00 177.00 178.80 1sqp h SER 171 N -0.43 0.18 -0.43 6.66 0.02 -2.00 -2.22 113.55 115.33 1sqp h SER 171 Ca -0.44 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1sqp h SER 171 Cb 1.20 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1sqp h SER 171 CO 0.61 0.04 0.16 -0.08 -1.14 0.00 0.00 176.83 176.42 1sqp h GLU 172 N 0.37 0.71 0.00 3.45 4.57 -1.98 -0.28 114.58 121.41 1sqp h GLU 172 Ca 0.43 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 1sqp h GLU 172 Cb 0.70 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1sqp h GLU 172 CO -0.46 0.61 -0.22 -0.91 -1.18 0.00 0.00 179.01 176.85 1sqp h ASN 173 N 0.70 0.00 0.11 1.04 2.35 -1.79 -1.23 115.58 116.76 1sqp h ASN 173 Ca 0.16 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.65 1sqp h ASN 173 Cb 0.19 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.59 1sqp h ASN 173 CO -0.01 0.22 -1.09 0.58 -1.65 0.00 0.00 177.43 175.48 1sqp h VAL 174 N 0.00 1.34 -0.09 2.81 2.07 -1.04 -2.82 116.25 118.52 1sqp h VAL 174 Ca -0.00 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.04 1sqp h VAL 174 Cb 0.78 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1sqp h VAL 174 CO 0.03 0.72 -0.24 0.03 0.02 0.00 0.00 177.57 178.13 1sqp h ARG 175 N 0.12 0.16 -0.00 1.57 3.08 -0.76 -3.32 114.38 115.23 1sqp h ARG 175 Ca -0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1sqp h ARG 175 Cb 1.79 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1sqp h ARG 175 CO 0.21 0.39 -0.20 0.36 -1.07 0.00 0.00 179.97 179.67 1sqp n LYS 176 N -4.20 3.76 -1.81 0.04 2.85 -0.50 -5.02 118.16 113.27 1sqp n LYS 176 Ca -0.01 -0.23 -0.42 0.00 -1.05 0.00 0.00 58.31 56.60 1sqp n LYS 176 Cb 0.33 -0.86 -0.02 0.00 -0.65 0.00 0.00 35.03 33.83 1sqp n LYS 176 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1sqp s LEU 177 N -1.81 4.36 0.38 -5.58 2.96 -1.06 -5.02 118.68 112.91 1sqp s LEU 177 Ca 0.04 2.82 0.08 0.00 -0.22 0.00 0.00 54.13 56.84 1sqp s LEU 177 Cb 0.05 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1sqp s LEU 177 CO 0.19 -0.90 0.27 -0.94 -1.32 0.00 0.00 176.35 173.66 1sqp s SER 178 N 0.88 4.93 0.28 3.68 1.04 -1.26 -5.02 113.70 118.24 1sqp s SER 178 Ca 0.69 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1sqp s SER 178 Cb -0.47 -0.69 0.60 0.00 0.10 0.00 0.00 66.02 65.56 1sqp s SER 178 CO 0.38 -0.48 1.79 -0.09 0.98 0.00 0.00 173.24 175.82 1sqp h ARG 179 N 1.26 0.79 0.08 4.02 2.43 -1.95 -1.23 114.38 119.76 1sqp h ARG 179 Ca -0.43 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1sqp h ARG 179 Cb 1.26 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1sqp h ARG 179 CO 0.61 0.52 -0.05 0.00 -1.51 0.00 0.00 179.97 179.54 1sqp h ALA 180 N 1.58 -0.12 -0.82 2.80 0.00 -1.98 0.19 119.26 120.91 1sqp h ALA 180 Ca 0.51 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.55 1sqp h ALA 180 Cb 0.66 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1sqp h ALA 180 CO -0.33 -0.57 0.39 -0.44 0.00 0.00 0.00 179.25 178.30 1sqp h ASP 181 N -0.13 0.44 -0.05 0.00 3.32 -1.76 -0.73 116.42 117.52 1sqp h ASP 181 Ca -0.00 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1sqp h ASP 181 Cb 0.11 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1sqp h ASP 181 CO 0.00 0.17 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.56 1sqp h LEU 182 N 0.55 0.15 -0.86 1.55 3.38 -0.79 -3.05 115.31 116.24 1sqp h LEU 182 Ca 0.45 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sqp h LEU 182 Cb 0.66 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1sqp h LEU 182 CO -0.38 0.64 0.53 0.74 0.09 0.00 0.00 178.44 180.06 1sqp h THR 183 N -0.34 1.24 0.29 0.22 2.02 -0.12 -2.32 112.91 113.90 1sqp h THR 183 Ca 0.01 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1sqp h THR 183 Cb 0.61 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1sqp h THR 183 CO 0.02 0.24 -0.14 -0.08 0.37 0.00 0.00 175.52 175.93 1sqp h GLU 184 N 1.18 -0.38 -0.41 6.66 4.22 -1.19 0.53 114.58 125.20 1sqp h GLU 184 Ca 0.31 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.79 1sqp h GLU 184 Cb -0.06 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1sqp h GLU 184 CO -0.06 -0.25 0.24 -0.92 -2.18 0.00 0.00 179.01 175.84 1sqp h TYR 185 N -0.40 0.46 -0.35 0.92 5.03 -1.51 -1.21 116.97 119.92 1sqp h TYR 185 Ca -0.04 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.36 1sqp h TYR 185 Cb 0.30 -0.15 -0.08 0.00 1.55 0.00 0.00 36.73 38.36 1sqp h TYR 185 CO -0.06 0.27 -0.19 1.25 -1.32 0.00 0.00 178.16 178.12 1sqp h LEU 186 N 0.50 -0.63 -0.76 2.82 6.46 -1.28 -0.40 115.31 122.03 1sqp h LEU 186 Ca 0.16 0.14 -0.13 0.00 -0.12 0.00 0.00 57.88 57.93 1sqp h LEU 186 Cb -0.01 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1sqp h LEU 186 CO -0.07 -0.22 -0.60 0.77 -0.62 0.00 0.00 178.44 177.70 1sqp h SER 187 N -0.13 0.08 1.99 1.25 4.64 -0.72 -0.12 113.55 120.53 1sqp h SER 187 Ca 0.18 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1sqp h SER 187 Cb 0.40 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1sqp h SER 187 CO -0.43 0.66 -0.01 0.03 -0.87 0.00 0.00 176.83 176.21 1sqp h ARG 188 N 0.05 0.00 0.00 4.77 2.47 -0.80 -3.40 114.38 117.47 1sqp h ARG 188 Ca -0.01 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1sqp h ARG 188 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1sqp h ARG 188 CO 0.08 0.01 -1.17 0.72 0.56 0.00 0.00 179.97 180.17 1sqp n HIS 189 N -3.10 0.00 -0.89 3.04 8.25 -0.20 -4.73 115.22 117.60 1sqp n HIS 189 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1sqp n HIS 189 Cb 0.53 -0.12 -0.14 0.00 1.12 0.00 0.00 29.99 31.39 1sqp n HIS 189 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqp n TYR 190 N -2.49 0.00 -3.83 4.41 4.02 -0.07 -4.86 117.16 114.35 1sqp n TYR 190 Ca -0.05 -1.36 -0.37 0.00 -0.01 0.00 0.00 57.90 56.11 1sqp n TYR 190 Cb 0.56 -1.39 -0.06 0.00 -0.02 0.00 0.00 39.34 38.43 1sqp n TYR 190 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1sqp s LYS 191 N 0.95 3.64 0.30 -0.72 1.02 -1.26 -4.98 119.74 118.69 1sqp s LYS 191 Ca 0.55 -0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.45 1sqp s LYS 191 Cb 0.26 -3.25 0.81 0.00 -0.52 0.00 0.00 37.83 35.13 1sqp s LYS 191 CO 0.00 0.66 1.65 0.00 -0.92 0.00 0.00 175.35 176.74 1sqp h ALA 192 N 5.39 1.44 0.00 5.17 0.00 -1.89 -0.58 119.26 128.80 1sqp h ALA 192 Ca -0.51 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1sqp h ALA 192 Cb 1.21 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1sqp h ALA 192 CO 0.63 -0.50 0.00 -2.30 0.00 0.00 0.00 179.25 177.08 1sqp n PRO 193 N -5.19 0.29 -0.23 0.00 -0.02 -1.23 -2.24 135.00 126.38 1sqp n PRO 193 Ca 0.24 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1sqp n PRO 193 Cb 0.76 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.89 1sqp n PRO 193 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sqp n ARG 194 N -1.09 1.30 -4.47 -0.52 1.74 -0.22 -4.97 116.66 108.43 1sqp n ARG 194 Ca 0.07 -2.70 -0.21 0.00 -0.77 0.00 0.00 57.85 54.24 1sqp n ARG 194 Cb 0.05 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 1sqp n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqp s MET 195 N -2.83 1.12 -0.18 5.56 -1.94 -0.95 -0.56 119.30 119.52 1sqp s MET 195 Ca 0.32 -0.36 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1sqp s MET 195 Cb 0.29 -1.02 0.02 0.00 2.01 0.00 0.00 34.83 36.13 1sqp s MET 195 CO 0.00 0.13 -0.18 0.08 -0.01 0.00 0.00 175.02 175.04 1sqp s VAL 196 N 0.20 1.96 -0.45 -6.03 1.01 0.37 -3.19 120.40 114.26 1sqp s VAL 196 Ca -0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1sqp s VAL 196 Cb -0.09 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1sqp s VAL 196 CO 0.01 0.46 0.90 -0.22 0.00 0.00 0.00 175.10 176.25 1sqp s LEU 197 N 1.32 4.05 -0.02 3.92 2.96 -0.12 -0.84 118.68 129.95 1sqp s LEU 197 Ca 0.04 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1sqp s LEU 197 Cb -0.14 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1sqp s LEU 197 CO -0.12 -1.02 -0.01 0.00 -1.32 0.00 0.00 176.35 173.88 1sqp s ALA 198 N 3.66 3.22 0.04 5.97 0.00 0.61 -0.20 121.76 135.06 1sqp s ALA 198 Ca 0.36 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1sqp s ALA 198 Cb -0.11 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1sqp s ALA 198 CO 0.25 0.63 0.11 0.00 0.00 0.00 0.00 175.76 176.75 1sqp s ALA 199 N -1.02 -0.10 -0.18 0.00 0.00 -0.14 -0.15 121.76 120.17 1sqp s ALA 199 Ca 0.18 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1sqp s ALA 199 Cb -0.11 0.27 0.06 0.00 0.00 0.00 0.00 23.12 23.33 1sqp s ALA 199 CO 0.08 -0.34 0.44 0.00 0.00 0.00 0.00 175.76 175.94 1sqp s ALA 200 N -2.72 -1.14 0.00 0.00 0.00 0.01 -2.50 121.76 115.41 1sqp s ALA 200 Ca -0.04 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1sqp s ALA 200 Cb -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1sqp s ALA 200 CO -0.05 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1sqp n GLY 201 N 4.00 0.69 3.40 0.00 0.00 -0.95 -1.62 105.19 110.71 1sqp n GLY 201 Ca -0.21 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1sqp n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 202 N 0.00 1.48 3.80 -0.02 0.00 -1.09 -1.35 105.19 108.01 1sqp n GLY 202 Ca 0.00 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1sqp n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 203 N 7.07 2.30 -0.07 0.99 1.02 -1.26 -4.80 118.68 123.93 1sqp s LEU 203 Ca 0.65 -1.62 -0.02 0.00 0.02 0.00 0.00 54.13 53.16 1sqp s LEU 203 Cb 0.06 -0.78 0.04 0.00 0.02 0.00 0.00 46.19 45.52 1sqp s LEU 203 CO 0.15 -0.94 0.06 -1.61 0.02 0.00 0.00 176.35 174.03 1sqp s GLU 204 N -3.96 0.00 0.42 1.70 0.41 -1.26 -4.87 118.70 111.14 1sqp s GLU 204 Ca 0.07 0.27 0.16 0.00 -0.41 0.00 0.00 54.97 55.07 1sqp s GLU 204 Cb 0.00 -0.79 1.05 0.00 -1.78 0.00 0.00 34.13 32.61 1sqp s GLU 204 CO 0.04 -0.39 1.88 1.25 -0.49 0.00 0.00 175.26 177.56 1sqp h HIS 205 N 8.43 0.54 0.01 1.61 -0.00 -1.98 -0.25 115.15 123.51 1sqp h HIS 205 Ca -0.13 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1sqp h HIS 205 Cb 1.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.33 1sqp h HIS 205 CO 0.42 0.17 -0.20 0.00 -0.00 0.00 0.00 177.93 178.32 1sqp h ARG 206 N 0.43 -0.32 -0.15 5.26 2.47 -1.99 -1.15 114.38 118.93 1sqp h ARG 206 Ca 0.43 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.13 1sqp h ARG 206 Cb 1.01 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1sqp h ARG 206 CO -0.16 -0.21 -0.09 -0.56 0.56 0.00 0.00 179.97 179.51 1sqp h GLN 207 N -0.33 0.23 -0.04 0.04 3.07 -1.51 -1.55 115.11 115.02 1sqp h GLN 207 Ca 0.05 -0.04 -0.09 0.00 0.09 0.00 0.00 58.65 58.66 1sqp h GLN 207 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1sqp h GLN 207 CO -0.18 0.33 -0.31 1.25 0.09 0.00 0.00 178.83 180.01 1sqp h LEU 208 N 0.22 0.35 -1.11 0.06 5.85 -0.98 -2.13 115.31 117.57 1sqp h LEU 208 Ca 0.05 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1sqp h LEU 208 Cb 0.30 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1sqp h LEU 208 CO 0.02 0.98 0.58 0.25 -0.34 0.00 0.00 178.44 179.93 1sqp h LEU 209 N -0.26 1.03 -0.50 2.25 5.85 -0.90 0.19 115.31 122.97 1sqp h LEU 209 Ca -0.03 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1sqp h LEU 209 Cb 0.99 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1sqp h LEU 209 CO 0.06 0.75 0.24 0.44 -0.34 0.00 0.00 178.44 179.60 1sqp h ASP 210 N 1.22 0.34 -0.11 1.25 3.32 -1.25 -0.79 116.42 120.40 1sqp h ASP 210 Ca 0.33 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 1sqp h ASP 210 Cb -0.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1sqp h ASP 210 CO -0.07 0.24 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.13 1sqp h LEU 211 N 0.48 0.74 -0.83 1.55 3.38 -0.63 0.08 115.31 120.08 1sqp h LEU 211 Ca 0.22 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1sqp h LEU 211 Cb 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1sqp h LEU 211 CO -0.16 1.10 0.34 0.00 0.09 0.00 0.00 178.44 179.80 1sqp h ALA 212 N 0.92 1.07 -0.08 1.53 0.00 -0.35 -0.22 119.26 122.12 1sqp h ALA 212 Ca 0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1sqp h ALA 212 Cb 1.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sqp h ALA 212 CO 0.10 0.67 -0.68 0.37 0.00 0.00 0.00 179.25 179.71 1sqp h GLN 213 N 1.17 0.36 -0.42 0.00 5.75 -0.98 -1.84 115.11 119.16 1sqp h GLN 213 Ca 0.27 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1sqp h GLN 213 Cb 0.20 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1sqp h GLN 213 CO -0.02 0.91 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.80 1sqp h LYS 214 N 0.26 0.71 0.00 1.69 3.64 -0.16 -3.29 116.57 119.42 1sqp h LYS 214 Ca -0.02 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1sqp h LYS 214 Cb 1.23 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1sqp h LYS 214 CO 0.11 0.76 -1.10 0.72 -2.27 0.00 0.00 179.45 177.67 1sqp n HIS 215 N -4.21 0.00 -0.08 1.91 8.25 -0.17 -4.74 115.22 116.18 1sqp n HIS 215 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 1sqp n HIS 215 Cb 0.31 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 1sqp n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqp n PHE 216 N -1.89 0.36 -1.62 4.41 3.01 -0.70 -4.83 117.46 116.19 1sqp n PHE 216 Ca -0.02 0.10 -0.47 0.00 1.01 0.00 0.00 57.45 58.08 1sqp n PHE 216 Cb 0.38 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 38.75 1sqp n PHE 216 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sqp n SER 217 N -3.05 3.30 0.00 4.37 2.88 -1.17 -3.12 113.62 116.83 1sqp n SER 217 Ca -0.34 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1sqp n SER 217 Cb 1.08 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1sqp n SER 217 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqp n GLY 218 N 5.11 -0.53 0.03 0.46 0.00 -1.26 -4.92 105.19 104.08 1sqp n GLY 218 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.31 1sqp n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sqp n LEU 219 N 0.00 1.75 0.00 0.99 4.77 -1.18 -5.02 117.00 118.31 1sqp n LEU 219 Ca 0.00 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1sqp n LEU 219 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1sqp n LEU 219 CO 0.00 0.47 0.00 -0.24 -1.33 0.00 0.00 177.39 176.29 1sqp n SER 220 N -0.61 0.00 0.00 -1.43 2.88 -1.26 -4.78 113.62 108.41 1sqp n SER 220 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1sqp n SER 220 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1sqp n SER 220 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqp n GLY 221 N 4.75 0.86 3.11 0.46 0.00 -1.26 -4.34 105.19 108.77 1sqp n GLY 221 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 1sqp n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqp s THR 222 N 0.00 0.03 -0.00 2.61 2.01 -1.26 -5.19 115.64 113.84 1sqp s THR 222 Ca 0.00 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1sqp s THR 222 Cb 0.00 -0.37 -0.00 0.00 0.01 0.00 0.00 72.50 72.14 1sqp s THR 222 CO 0.00 -0.15 0.05 -0.31 -0.69 0.00 0.00 174.62 173.52 1sqp s TYR 223 N -0.50 0.07 -0.83 4.92 1.51 -1.26 -4.95 117.35 116.31 1sqp s TYR 223 Ca -0.06 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1sqp s TYR 223 Cb -0.04 -0.07 0.00 0.00 -0.11 0.00 0.00 41.96 41.75 1sqp s TYR 223 CO 0.01 -0.15 0.00 -0.25 -1.11 0.00 0.00 175.55 174.05 1sqp n ASP 224 N 2.18 -5.62 0.07 2.29 8.00 -1.26 -4.89 116.55 117.33 1sqp n ASP 224 Ca -0.19 0.19 0.10 0.00 0.71 0.00 0.00 54.79 55.61 1sqp n ASP 224 Cb 0.57 -3.81 0.42 0.00 -0.02 0.00 0.00 41.12 38.29 1sqp n ASP 224 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sqp n GLU 225 N -0.53 0.12 -0.04 -1.24 -0.58 -1.26 -3.85 120.64 113.25 1sqp n GLU 225 Ca -0.08 0.33 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 1sqp n GLU 225 Cb 0.54 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1sqp n GLU 225 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1sqp n ASP 226 N -1.93 2.32 -3.73 1.62 2.03 -1.26 -5.09 116.55 110.51 1sqp n ASP 226 Ca 0.03 0.01 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 1sqp n ASP 226 Cb 0.22 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 1sqp n ASP 226 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sqp s ALA 227 N -2.16 -0.97 -0.08 -1.67 0.00 -1.25 -5.17 121.76 110.46 1sqp s ALA 227 Ca -0.12 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1sqp s ALA 227 Cb 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1sqp s ALA 227 CO 0.18 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 175.66 1sqp s VAL 228 N 0.39 1.46 -0.25 0.00 1.01 -1.26 -4.83 120.40 116.91 1sqp s VAL 228 Ca -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1sqp s VAL 228 Cb -0.04 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1sqp s VAL 228 CO -0.01 0.43 0.08 -2.16 0.00 0.00 0.00 175.10 173.43 1sqp s PRO 229 N 0.58 3.63 -0.05 2.72 0.04 -1.26 -5.10 135.00 135.56 1sqp s PRO 229 Ca -0.15 -0.50 0.04 0.00 0.04 0.00 0.00 61.00 60.43 1sqp s PRO 229 Cb -0.16 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1sqp s PRO 229 CO 0.05 -0.21 -0.16 0.99 0.04 0.00 0.00 177.00 177.72 1sqp s THR 230 N 1.62 2.92 0.20 1.26 2.01 -1.26 -5.11 115.64 117.27 1sqp s THR 230 Ca 0.06 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 1sqp s THR 230 Cb -0.15 -2.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 1sqp s THR 230 CO 0.04 0.59 1.54 -0.76 -0.69 0.00 0.00 174.62 175.34 1sqp s LEU 231 N -0.66 4.37 0.15 4.42 1.43 -1.26 -5.02 118.68 122.12 1sqp s LEU 231 Ca 0.10 2.67 -0.18 0.00 -1.03 0.00 0.00 54.13 55.69 1sqp s LEU 231 Cb -0.11 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1sqp s LEU 231 CO 0.01 -0.81 0.63 -0.44 0.23 0.00 0.00 176.35 175.97 1sqp s SER 232 N 0.88 7.01 0.64 2.29 0.01 -1.26 -5.06 113.70 118.22 1sqp s SER 232 Ca 0.67 1.29 -0.18 0.00 1.31 0.00 0.00 55.95 59.04 1sqp s SER 232 Cb -0.44 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 1sqp s SER 232 CO 0.36 0.13 1.17 -2.65 0.41 0.00 0.00 173.24 172.66 1sqp n PRO 233 N 1.07 0.98 -4.04 12.44 -0.02 -1.26 -5.01 135.00 139.17 1sqp n PRO 233 Ca -0.06 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1sqp n PRO 233 Cb 0.51 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 1sqp n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqp n ARG 235 N 4.60 2.80 -3.32 0.00 0.63 -1.26 -5.00 116.66 115.11 1sqp n ARG 235 Ca -0.17 1.02 -0.38 0.00 -0.92 0.00 0.00 57.85 57.39 1sqp n ARG 235 Cb 0.47 -2.90 -0.06 0.00 0.45 0.00 0.00 32.46 30.42 1sqp n ARG 235 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1sqp s PHE 236 N 2.25 3.63 -0.17 -0.14 2.19 -1.26 -4.41 117.98 120.07 1sqp s PHE 236 Ca 0.80 1.03 0.01 0.00 0.33 0.00 0.00 56.93 59.10 1sqp s PHE 236 Cb -0.49 -2.51 0.02 0.00 -1.31 0.00 0.00 43.02 38.73 1sqp s PHE 236 CO 0.36 0.35 -0.20 0.99 1.83 0.00 0.00 175.22 178.54 1sqp s THR 237 N -0.07 2.05 -0.57 0.12 2.01 0.18 -5.02 115.64 114.34 1sqp s THR 237 Ca 0.27 -0.94 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 1sqp s THR 237 Cb -0.17 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1sqp s THR 237 CO 0.14 0.54 1.82 -0.83 -0.69 0.00 0.00 174.62 175.60 1sqp s GLY 238 N 1.15 0.33 0.36 4.40 0.00 -1.26 -4.25 107.32 108.05 1sqp s GLY 238 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1sqp s GLY 238 CO -0.10 3.36 0.49 -1.14 0.00 0.00 0.00 173.10 175.71 1sqp n SER 239 N 12.19 -1.35 -3.94 1.64 3.41 -0.99 -4.93 113.62 119.64 1sqp n SER 239 Ca 0.20 -2.98 -0.18 0.00 -0.26 0.00 0.00 58.87 55.65 1sqp n SER 239 Cb 0.51 2.55 -0.15 0.00 -0.26 0.00 0.00 64.21 66.86 1sqp n SER 239 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1sqp s GLN 240 N -2.87 0.67 -0.17 4.33 0.74 -1.26 -0.36 119.66 120.75 1sqp s GLN 240 Ca 0.31 -0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1sqp s GLN 240 Cb -0.01 -0.67 0.02 0.00 1.10 0.00 0.00 33.01 33.46 1sqp s GLN 240 CO 0.22 0.04 -0.16 -1.50 -0.55 0.00 0.00 175.29 173.33 1sqp s ILE 241 N 0.35 1.79 -0.32 -2.34 2.07 0.65 -4.98 121.20 118.43 1sqp s ILE 241 Ca -0.04 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 1sqp s ILE 241 Cb -0.08 -1.66 0.08 0.00 0.13 0.00 0.00 42.46 40.92 1sqp s ILE 241 CO -0.00 0.47 0.03 0.00 -1.91 0.00 0.00 174.94 173.53 1sqp s HIS 243 N 1.10 3.13 -0.43 0.00 2.46 -0.56 -5.00 115.29 115.99 1sqp s HIS 243 Ca 0.01 -1.15 -0.26 0.00 0.47 0.00 0.00 55.06 54.13 1sqp s HIS 243 Cb -0.20 -3.95 0.02 0.00 -0.13 0.00 0.00 32.58 28.32 1sqp s HIS 243 CO -0.05 -1.21 0.98 0.50 -2.47 0.00 0.00 174.74 172.50 1sqp s ARG 244 N 2.20 3.68 -0.34 2.88 6.06 -1.26 -1.75 118.95 130.42 1sqp s ARG 244 Ca 0.10 0.40 -0.00 0.00 -2.50 0.00 0.00 55.73 53.73 1sqp s ARG 244 Cb -0.24 -3.88 0.11 0.00 0.06 0.00 0.00 34.95 31.00 1sqp s ARG 244 CO 0.04 -1.17 0.13 -2.00 -2.50 0.00 0.00 175.30 169.79 1sqp s GLU 245 N 3.82 0.81 0.00 5.12 -6.30 0.85 -4.89 118.70 118.11 1sqp s GLU 245 Ca 0.40 -1.26 0.00 0.00 -2.50 0.00 0.00 54.97 51.61 1sqp s GLU 245 Cb -0.10 -2.03 0.00 0.00 0.00 0.00 0.00 34.13 32.00 1sqp s GLU 245 CO 0.25 -1.03 0.60 -0.25 0.02 0.00 0.00 175.26 174.85 1sqp n ASP 246 N 4.57 0.56 -0.32 -1.70 8.00 -1.26 -2.88 116.55 123.53 1sqp n ASP 246 Ca 0.01 -1.77 0.04 0.00 0.71 0.00 0.00 54.79 53.78 1sqp n ASP 246 Cb 0.40 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1sqp n ASP 246 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqp n GLY 247 N 0.18 -0.66 3.78 0.44 0.00 -1.26 -4.94 105.19 102.72 1sqp n GLY 247 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1sqp n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 248 N -0.68 4.05 0.42 0.99 1.43 -1.17 -5.03 118.68 118.70 1sqp s LEU 248 Ca 0.09 0.30 0.23 0.00 -1.03 0.00 0.00 54.13 53.73 1sqp s LEU 248 Cb 0.07 -1.98 0.57 0.00 0.03 0.00 0.00 46.19 44.88 1sqp s LEU 248 CO 0.10 0.35 1.68 1.55 0.23 0.00 0.00 176.35 180.27 1sqp h PRO 249 N 5.37 0.00 -5.24 1.29 0.14 -1.92 -3.39 132.00 128.25 1sqp h PRO 249 Ca -0.50 0.00 -0.43 0.00 0.14 0.00 0.00 66.00 65.21 1sqp h PRO 249 Cb 1.20 0.00 -0.24 0.00 0.14 0.00 0.00 31.00 32.10 1sqp h PRO 249 CO 0.60 0.17 -0.79 -0.51 0.14 0.00 0.00 178.00 177.61 1sqp s LEU 250 N -6.39 2.18 0.08 1.56 1.43 -1.26 -4.57 118.68 111.71 1sqp s LEU 250 Ca 0.04 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1sqp s LEU 250 Cb 0.07 -0.56 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 1sqp s LEU 250 CO 0.66 0.01 0.61 0.00 0.23 0.00 0.00 176.35 177.86 1sqp s ALA 251 N -0.88 3.56 -0.14 4.21 0.00 0.75 -4.40 121.76 124.86 1sqp s ALA 251 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1sqp s ALA 251 Cb -0.08 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1sqp s ALA 251 CO 0.01 0.36 -0.14 -1.01 0.00 0.00 0.00 175.76 174.98 1sqp s HIS 252 N -1.02 2.80 -0.06 0.00 3.76 -0.17 -1.51 115.29 119.09 1sqp s HIS 252 Ca 0.30 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1sqp s HIS 252 Cb -0.20 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.65 1sqp s HIS 252 CO 0.20 -0.30 -0.04 0.08 -0.85 0.00 0.00 174.74 173.82 1sqp s VAL 253 N 0.52 0.59 -0.14 -0.90 1.01 -0.49 -0.61 120.40 120.37 1sqp s VAL 253 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1sqp s VAL 253 Cb -0.16 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1sqp s VAL 253 CO 0.04 0.25 -0.12 0.00 0.00 0.00 0.00 175.10 175.27 1sqp s ALA 254 N 1.20 1.73 -0.09 5.51 0.00 0.34 -0.80 121.76 129.66 1sqp s ALA 254 Ca -0.06 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.11 1sqp s ALA 254 Cb -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1sqp s ALA 254 CO -0.02 -0.40 -0.20 -1.50 0.00 0.00 0.00 175.76 173.64 1sqp s ILE 255 N 1.54 1.76 -0.08 0.00 2.07 -0.32 -0.53 121.20 125.64 1sqp s ILE 255 Ca 0.05 -0.84 -0.13 0.00 -1.41 0.00 0.00 60.65 58.32 1sqp s ILE 255 Cb -0.13 -1.54 0.03 0.00 0.13 0.00 0.00 42.46 40.95 1sqp s ILE 255 CO -0.10 0.49 0.33 0.00 -1.91 0.00 0.00 174.94 173.75 1sqp s ALA 256 N 0.46 -0.82 0.52 1.50 0.00 0.11 -1.97 121.76 121.56 1sqp s ALA 256 Ca -0.17 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1sqp s ALA 256 Cb -0.17 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1sqp s ALA 256 CO 0.07 -0.20 0.75 0.14 0.00 0.00 0.00 175.76 176.52 1sqp s VAL 257 N -0.41 3.05 -0.00 0.00 -7.23 0.91 0.13 120.40 116.85 1sqp s VAL 257 Ca -0.05 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 1sqp s VAL 257 Cb -0.03 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1sqp s VAL 257 CO 0.02 -0.10 1.24 -0.70 -0.31 0.00 0.00 175.10 175.25 1sqp s GLU 258 N -4.71 4.37 0.61 4.82 2.12 -1.26 -1.11 118.70 123.53 1sqp s GLU 258 Ca 0.55 1.76 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 1sqp s GLU 258 Cb -0.10 -3.49 0.05 0.00 0.26 0.00 0.00 34.13 30.85 1sqp s GLU 258 CO 0.38 -0.41 0.86 0.20 -0.54 0.00 0.00 175.26 175.76 1sqp s GLY 259 N 1.41 1.79 0.19 -1.50 0.00 -0.74 -4.78 107.32 103.69 1sqp s GLY 259 Ca 0.58 -1.29 0.15 0.00 0.00 0.00 0.00 44.72 44.17 1sqp s GLY 259 CO 0.25 -0.94 1.22 -0.56 0.00 0.00 0.00 173.10 173.07 1sqp h PRO 260 N -0.17 0.00 0.00 2.90 0.13 -1.87 -2.10 132.00 130.90 1sqp h PRO 260 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1sqp h PRO 260 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1sqp h PRO 260 CO 0.52 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1sqp n GLY 261 N 1.29 2.63 0.32 1.56 0.00 -1.20 -3.22 105.19 106.57 1sqp n GLY 261 Ca -0.02 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 1sqp n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sqp n TRP 262 N 0.86 -0.03 0.09 1.61 7.02 -1.07 -2.55 117.44 123.36 1sqp n TRP 262 Ca 0.00 1.01 0.01 0.00 -1.02 0.00 0.00 57.50 57.50 1sqp n TRP 262 Cb 0.00 -0.77 0.32 0.00 -2.42 0.00 0.00 31.31 28.44 1sqp n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sqp h ALA 263 N 1.02 1.37 -2.31 6.99 0.00 -1.89 -3.46 119.26 120.98 1sqp h ALA 263 Ca 0.26 -0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1sqp h ALA 263 Cb 0.47 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sqp h ALA 263 CO -0.81 0.43 1.10 1.58 0.00 0.00 0.00 179.25 181.56 1sqp n HIS 264 N -4.21 2.48 0.13 0.00 -0.00 -1.06 -4.90 115.22 107.65 1sqp n HIS 264 Ca -0.00 -0.11 0.19 0.00 0.46 0.00 0.00 57.72 58.25 1sqp n HIS 264 Cb 0.32 -2.71 0.77 0.00 -0.12 0.00 0.00 29.99 28.25 1sqp n HIS 264 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1sqp h PRO 265 N 8.88 0.00 -0.90 1.57 0.11 -1.91 -2.90 132.00 136.84 1sqp h PRO 265 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1sqp h PRO 265 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1sqp h PRO 265 CO 0.94 0.00 0.03 -0.40 -0.21 0.00 0.00 178.00 178.36 1sqp n ASP 266 N -3.89 2.44 0.14 -2.05 5.68 -1.26 -3.43 116.55 114.19 1sqp n ASP 266 Ca 0.05 -2.28 0.02 0.00 -0.50 0.00 0.00 54.79 52.08 1sqp n ASP 266 Cb 0.48 -0.56 0.06 0.00 -1.14 0.00 0.00 41.12 39.97 1sqp n ASP 266 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1sqp h ASN 267 N 0.99 0.00 0.12 -1.12 2.35 -1.88 -3.02 115.58 113.03 1sqp h ASN 267 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1sqp h ASN 267 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1sqp h ASN 267 CO 0.16 0.52 -0.06 0.58 -1.65 0.00 0.00 177.43 176.98 1sqp h VAL 268 N 0.00 1.02 -0.44 2.81 2.07 -1.83 -1.26 116.25 118.62 1sqp h VAL 268 Ca -0.01 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1sqp h VAL 268 Cb 1.34 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1sqp h VAL 268 CO 0.07 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 1sqp h ALA 269 N 0.38 1.12 -0.10 1.67 0.00 -1.81 -0.72 119.26 119.80 1sqp h ALA 269 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sqp h ALA 269 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sqp h ALA 269 CO 0.03 0.56 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 1sqp h LEU 270 N 0.69 0.12 -0.88 0.00 3.38 -1.55 -0.89 115.31 116.18 1sqp h LEU 270 Ca 0.13 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1sqp h LEU 270 Cb 0.47 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1sqp h LEU 270 CO 0.02 0.11 0.57 1.56 0.09 0.00 0.00 178.44 180.80 1sqp h GLN 271 N 0.12 1.10 0.00 1.13 1.08 -0.48 0.12 115.11 118.19 1sqp h GLN 271 Ca 0.04 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1sqp h GLN 271 Cb 0.01 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1sqp h GLN 271 CO -0.01 0.72 -0.03 0.28 -0.95 0.00 0.00 178.83 178.84 1sqp h VAL 272 N 1.13 0.91 -0.86 -0.54 2.07 -0.92 0.25 116.25 118.29 1sqp h VAL 272 Ca 0.34 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.87 1sqp h VAL 272 Cb -0.03 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1sqp h VAL 272 CO -0.11 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.05 1sqp h ALA 273 N 0.93 1.39 -0.68 1.67 0.00 -0.61 -1.75 119.26 120.21 1sqp h ALA 273 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1sqp h ALA 273 Cb 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1sqp h ALA 273 CO -0.03 0.57 0.13 -0.91 0.00 0.00 0.00 179.25 179.01 1sqp h ASN 274 N 1.17 1.06 -0.81 0.00 4.21 -0.44 -2.92 115.58 117.86 1sqp h ASN 274 Ca 0.32 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1sqp h ASN 274 Cb -0.14 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.74 1sqp h ASN 274 CO -0.07 1.04 0.48 0.00 -1.29 0.00 0.00 177.43 177.59 1sqp h ALA 275 N 1.06 1.03 -0.20 -0.83 0.00 0.30 0.73 119.26 121.34 1sqp h ALA 275 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sqp h ALA 275 Cb 0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1sqp h ALA 275 CO 0.01 0.51 0.03 0.82 0.00 0.00 0.00 179.25 180.61 1sqp h ILE 276 N 1.11 0.89 -0.21 0.00 2.04 -1.24 -2.11 117.51 117.99 1sqp h ILE 276 Ca 0.29 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.94 1sqp h ILE 276 Cb -0.02 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1sqp h ILE 276 CO -0.05 0.02 -0.54 0.40 0.00 0.00 0.00 178.15 177.97 1sqp h ILE 277 N 0.10 1.30 0.00 -0.67 2.04 -1.38 -3.38 117.51 115.52 1sqp h ILE 277 Ca 0.09 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1sqp h ILE 277 Cb 0.10 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sqp h ILE 277 CO -0.13 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1sqp n GLY 278 N 0.49 2.49 3.59 5.37 0.00 0.25 -4.66 105.19 112.72 1sqp n GLY 278 Ca -0.06 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1sqp n GLY 278 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sqp s HIS 279 N 0.00 -0.72 0.06 1.61 -3.43 -1.26 -2.23 115.29 109.32 1sqp s HIS 279 Ca 0.00 1.55 0.01 0.00 -0.80 0.00 0.00 55.06 55.82 1sqp s HIS 279 Cb 0.00 0.33 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 1sqp s HIS 279 CO 0.00 -0.46 -0.05 -0.47 -2.00 0.00 0.00 174.74 171.76 1sqp s TYR 280 N -0.28 0.61 -0.26 0.38 5.04 0.23 -4.98 117.35 118.10 1sqp s TYR 280 Ca -0.04 -0.80 -0.20 0.00 -2.44 0.00 0.00 57.07 53.59 1sqp s TYR 280 Cb -0.03 -0.39 0.07 0.00 0.35 0.00 0.00 41.96 41.96 1sqp s TYR 280 CO 0.04 -0.21 0.68 0.34 -1.34 0.00 0.00 175.55 175.06 1sqp s ASP 281 N -2.38 -0.80 0.39 4.32 -1.08 -1.26 -0.16 116.67 115.70 1sqp s ASP 281 Ca 0.00 1.41 0.09 0.00 -0.52 0.00 0.00 52.55 53.53 1sqp s ASP 281 Cb -0.00 1.37 0.46 0.00 -1.46 0.00 0.00 42.92 43.29 1sqp s ASP 281 CO -0.04 -0.24 1.12 0.00 0.52 0.00 0.00 175.17 176.53 1sqp n THR 283 N -2.06 0.44 -2.44 0.00 -2.24 -1.26 -4.92 114.28 101.80 1sqp n THR 283 Ca -0.01 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 1sqp n THR 283 Cb 0.55 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 1sqp n THR 283 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1sqp s TYR 284 N -1.56 3.48 -0.29 4.78 1.51 0.41 -4.95 117.35 120.73 1sqp s TYR 284 Ca 0.37 1.66 0.23 0.00 -1.01 0.00 0.00 57.07 58.32 1sqp s TYR 284 Cb 0.21 -3.31 0.08 0.00 -0.11 0.00 0.00 41.96 38.83 1sqp s TYR 284 CO 0.30 -0.70 1.16 0.78 -1.11 0.00 0.00 175.55 175.97 1sqp h GLY 285 N 3.60 0.00 0.81 0.71 0.00 -1.91 -3.39 103.07 102.89 1sqp h GLY 285 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1sqp h GLY 285 CO 0.66 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.86 1sqp h GLY 286 N 4.02 -0.02 0.00 4.60 0.00 -1.98 -3.48 103.07 106.22 1sqp h GLY 286 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1sqp h GLY 286 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1sqp n GLY 287 N -0.57 4.01 0.42 4.60 0.00 -1.26 -3.17 105.19 109.21 1sqp n GLY 287 Ca -0.08 0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.30 1sqp n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp h ALA 288 N -0.88 2.35 -0.01 4.61 0.00 -1.91 -2.21 119.26 121.22 1sqp h ALA 288 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sqp h ALA 288 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sqp h ALA 288 CO 0.00 -0.67 -0.07 0.72 0.00 0.00 0.00 179.25 179.23 1sqp n HIS 289 N -4.49 0.00 -1.72 0.00 8.25 -1.19 -4.82 115.22 111.26 1sqp n HIS 289 Ca 0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.26 1sqp n HIS 289 Cb 0.81 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.87 1sqp n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sqp n LEU 290 N -0.35 4.05 0.41 2.41 4.77 -0.83 -4.94 117.00 122.52 1sqp n LEU 290 Ca 0.18 1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 57.16 1sqp n LEU 290 Cb 0.30 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.79 1sqp n LEU 290 CO 0.20 -0.42 0.43 0.28 -1.33 0.00 0.00 177.39 176.55 1sqp h SER 291 N 2.42 -0.90 -1.08 -1.43 0.02 -1.91 -3.41 113.55 107.25 1sqp h SER 291 Ca -0.48 0.03 -0.74 0.00 -0.84 0.00 0.00 61.79 59.76 1sqp h SER 291 Cb 1.28 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1sqp h SER 291 CO 0.62 -0.54 1.10 -0.24 -1.14 0.00 0.00 176.83 176.62 1sqp n SER 292 N -5.42 1.90 -0.24 3.07 2.88 -1.26 -4.82 113.62 109.72 1sqp n SER 292 Ca -0.13 0.84 0.14 0.00 -1.33 0.00 0.00 58.87 58.39 1sqp n SER 292 Cb 0.42 -1.10 0.44 0.00 -0.75 0.00 0.00 64.21 63.22 1sqp n SER 292 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1sqp h PRO 293 N 8.69 0.54 -0.27 -1.46 0.11 -1.86 -1.45 132.00 136.30 1sqp h PRO 293 Ca -0.34 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1sqp h PRO 293 Cb 1.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1sqp h PRO 293 CO 1.00 0.36 -0.09 1.25 -0.21 0.00 0.00 178.00 180.31 1sqp h LEU 294 N 0.56 0.55 -0.32 2.35 5.85 -1.88 0.01 115.31 122.44 1sqp h LEU 294 Ca 0.44 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sqp h LEU 294 Cb 0.86 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1sqp h LEU 294 CO -0.18 0.81 0.19 0.00 -0.34 0.00 0.00 178.44 178.92 1sqp h ALA 295 N 0.76 0.41 -0.53 1.25 0.00 -1.73 0.14 119.26 119.56 1sqp h ALA 295 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1sqp h ALA 295 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1sqp h ALA 295 CO 0.03 -0.08 -0.00 0.66 0.00 0.00 0.00 179.25 179.86 1sqp h SER 296 N 0.41 0.93 -0.01 0.00 4.64 -1.19 0.68 113.55 119.00 1sqp h SER 296 Ca 0.12 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 1sqp h SER 296 Cb 0.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1sqp h SER 296 CO -0.02 1.01 -0.37 0.40 -0.87 0.00 0.00 176.83 176.98 1sqp h ILE 297 N 0.82 1.29 -0.31 0.95 2.04 -0.79 -0.32 117.51 121.20 1sqp h ILE 297 Ca 0.15 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1sqp h ILE 297 Cb 0.54 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1sqp h ILE 297 CO 0.03 0.47 0.15 0.00 0.00 0.00 0.00 178.15 178.79 1sqp h ALA 298 N 1.18 0.40 -0.11 1.87 0.00 -0.52 -1.40 119.26 120.67 1sqp h ALA 298 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1sqp h ALA 298 Cb 0.84 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sqp h ALA 298 CO 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 1sqp h ALA 299 N 1.00 0.16 0.27 0.00 0.00 -0.68 0.22 119.26 120.23 1sqp h ALA 299 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sqp h ALA 299 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sqp h ALA 299 CO -0.01 -0.07 -0.13 1.15 0.00 0.00 0.00 179.25 180.19 1sqp h THR 300 N -0.11 0.77 -0.15 0.00 2.02 -1.03 -2.65 112.91 111.76 1sqp h THR 300 Ca 0.03 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1sqp h THR 300 Cb 0.50 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1sqp h THR 300 CO 0.02 0.07 0.00 0.59 0.37 0.00 0.00 175.52 176.56 1sqp n ASN 301 N -5.18 1.18 -4.04 4.18 3.02 -0.53 -4.92 115.26 108.96 1sqp n ASN 301 Ca -0.10 -1.72 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 1sqp n ASN 301 Cb 0.21 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1sqp n ASN 301 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sqp n LYS 302 N 0.04 -0.81 -0.07 3.52 5.02 -0.22 -4.85 118.16 120.79 1sqp n LYS 302 Ca 0.13 0.17 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1sqp n LYS 302 Cb 0.23 -3.17 0.24 0.00 -0.02 0.00 0.00 35.03 32.32 1sqp n LYS 302 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sqp n LEU 303 N -4.77 0.93 0.00 -0.35 4.77 0.62 -4.93 117.00 113.27 1sqp n LEU 303 Ca -0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1sqp n LEU 303 Cb 0.60 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1sqp n LEU 303 CO 0.75 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 177.03 1sqp n GLN 305 N -0.03 0.65 -3.64 0.00 -0.06 -0.10 -4.82 117.38 109.37 1sqp n GLN 305 Ca 0.00 0.05 -0.04 0.00 -2.00 0.00 0.00 57.00 55.00 1sqp n GLN 305 Cb 0.00 -1.66 -0.07 0.00 -4.06 0.00 0.00 30.24 24.46 1sqp n GLN 305 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1sqp s SER 306 N -5.36 -0.14 0.04 1.69 1.04 -1.12 -1.70 113.70 108.15 1sqp s SER 306 Ca -0.06 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 1sqp s SER 306 Cb 0.09 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1sqp s SER 306 CO 0.84 -0.05 0.02 0.72 0.98 0.00 0.00 173.24 175.75 1sqp s PHE 307 N -0.03 0.33 -0.16 5.02 -0.12 0.78 -0.94 117.98 122.86 1sqp s PHE 307 Ca 0.07 -0.72 -0.13 0.00 -0.05 0.00 0.00 56.93 56.09 1sqp s PHE 307 Cb -0.05 -0.24 0.05 0.00 -0.63 0.00 0.00 43.02 42.15 1sqp s PHE 307 CO -0.13 -0.33 0.42 1.14 -0.05 0.00 0.00 175.22 176.28 1sqp s GLN 308 N -2.81 0.47 0.46 1.99 -2.07 -0.55 -0.60 119.66 116.55 1sqp s GLN 308 Ca -0.03 0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 54.09 1sqp s GLN 308 Cb -0.00 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1sqp s GLN 308 CO -0.06 -0.08 0.77 0.95 -1.32 0.00 0.00 175.29 175.55 1sqp s THR 309 N 0.51 4.89 0.01 3.63 -4.23 -0.94 -1.38 115.64 118.12 1sqp s THR 309 Ca -0.02 0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.62 1sqp s THR 309 Cb -0.04 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1sqp s THR 309 CO -0.03 -0.77 0.31 0.72 -0.54 0.00 0.00 174.62 174.32 1sqp s PHE 310 N -2.64 -0.16 -0.53 3.99 -0.12 0.83 -4.94 117.98 114.41 1sqp s PHE 310 Ca 0.48 0.17 0.05 0.00 -0.05 0.00 0.00 56.93 57.58 1sqp s PHE 310 Cb -0.10 0.10 0.18 0.00 -0.63 0.00 0.00 43.02 42.57 1sqp s PHE 310 CO 0.42 -0.43 0.44 -1.71 -0.05 0.00 0.00 175.22 173.88 1sqp n ASN 311 N 1.02 1.09 -4.68 1.98 5.15 -1.26 -2.01 115.26 116.55 1sqp n ASN 311 Ca -0.20 -2.77 -0.43 0.00 -0.60 0.00 0.00 54.58 50.58 1sqp n ASN 311 Cb 0.57 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 1sqp n ASN 311 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sqp s ILE 312 N -0.76 4.23 -0.15 -1.44 1.01 0.65 -4.93 121.20 119.81 1sqp s ILE 312 Ca 0.31 1.53 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 1sqp s ILE 312 Cb 0.03 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1sqp s ILE 312 CO -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 174.94 174.69 1sqp s TYR 314 N 0.18 1.99 -0.11 0.00 2.02 0.66 -4.82 117.35 117.29 1sqp s TYR 314 Ca -0.01 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 55.69 1sqp s TYR 314 Cb -0.14 -1.15 -0.08 0.00 -0.40 0.00 0.00 41.96 40.19 1sqp s TYR 314 CO 0.03 0.29 2.08 0.00 -1.57 0.00 0.00 175.55 176.37 1sqp n ALA 315 N -0.61 1.54 -0.85 3.71 0.00 -1.26 -2.34 120.51 120.70 1sqp n ALA 315 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1sqp n ALA 315 Cb 0.64 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1sqp n ALA 315 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sqp n ASP 316 N 9.23 -1.99 -3.92 0.00 9.92 -1.26 -4.93 116.55 123.60 1sqp n ASP 316 Ca 0.26 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.43 1sqp n ASP 316 Cb 0.40 -1.65 -0.05 0.00 -0.64 0.00 0.00 41.12 39.18 1sqp n ASP 316 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1sqp s THR 317 N -2.01 0.01 0.09 -3.53 -1.32 -0.99 -4.38 115.64 103.52 1sqp s THR 317 Ca 0.00 -1.23 -0.14 0.00 -1.21 0.00 0.00 61.69 59.11 1sqp s THR 317 Cb 0.00 -2.01 0.05 0.00 -1.51 0.00 0.00 72.50 69.02 1sqp s THR 317 CO 0.00 -0.05 0.67 0.61 -2.21 0.00 0.00 174.62 173.64 1sqp n GLY 318 N -0.37 0.76 3.04 6.08 0.00 -0.79 -0.24 105.19 113.67 1sqp n GLY 318 Ca -0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1sqp n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 319 N 0.00 1.76 -0.16 0.99 1.43 0.55 -1.79 118.68 121.45 1sqp s LEU 319 Ca 0.15 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1sqp s LEU 319 Cb -0.01 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1sqp s LEU 319 CO 0.03 -0.04 -0.18 -0.22 0.23 0.00 0.00 176.35 176.16 1sqp s LEU 320 N 1.43 2.28 0.00 1.79 2.96 -0.27 -0.25 118.68 126.62 1sqp s LEU 320 Ca 0.04 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1sqp s LEU 320 Cb -0.13 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1sqp s LEU 320 CO -0.11 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1sqp n GLY 321 N 4.24 -0.49 3.35 7.98 0.00 -0.85 -0.06 105.19 119.36 1sqp n GLY 321 Ca -0.20 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 1sqp n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp s ALA 322 N -1.00 2.08 -0.01 4.61 0.00 -0.83 -0.12 121.76 126.48 1sqp s ALA 322 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.40 1sqp s ALA 322 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1sqp s ALA 322 CO 0.00 0.17 -0.13 -1.58 0.00 0.00 0.00 175.76 174.22 1sqp s HIS 323 N -2.49 1.16 0.06 0.00 5.04 -0.48 -1.17 115.29 117.42 1sqp s HIS 323 Ca 0.20 -0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.49 1sqp s HIS 323 Cb -0.04 -0.75 -0.04 0.00 0.04 0.00 0.00 32.58 31.79 1sqp s HIS 323 CO 0.07 -0.03 -0.04 -0.59 -2.34 0.00 0.00 174.74 171.81 1sqp s PHE 324 N -0.26 0.63 -0.07 3.88 -0.12 0.02 -1.48 117.98 120.58 1sqp s PHE 324 Ca 0.04 -0.96 0.04 0.00 -0.05 0.00 0.00 56.93 56.00 1sqp s PHE 324 Cb -0.05 -0.42 0.00 0.00 -0.63 0.00 0.00 43.02 41.92 1sqp s PHE 324 CO -0.00 -0.28 -0.20 0.54 -0.05 0.00 0.00 175.22 175.23 1sqp s VAL 325 N -3.56 1.68 0.25 -2.49 0.11 -0.11 -1.40 120.40 114.89 1sqp s VAL 325 Ca 0.06 -0.82 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 1sqp s VAL 325 Cb 0.05 -1.46 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1sqp s VAL 325 CO -0.07 0.48 0.63 0.00 -3.33 0.00 0.00 175.10 172.80 1sqp s ASP 327 N -2.93 4.59 0.32 0.00 -1.08 -1.26 -0.18 116.67 116.13 1sqp s ASP 327 Ca 0.13 2.45 0.08 0.00 -0.52 0.00 0.00 52.55 54.70 1sqp s ASP 327 Cb -0.04 -2.60 0.91 0.00 -1.46 0.00 0.00 42.92 39.74 1sqp s ASP 327 CO 0.05 -2.00 1.64 1.12 0.52 0.00 0.00 175.17 176.50 1sqp h HIS 328 N 0.29 0.59 -0.02 -5.34 2.07 -1.80 -2.11 115.15 108.82 1sqp h HIS 328 Ca -0.49 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1sqp h HIS 328 Cb 1.31 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1sqp h HIS 328 CO 0.45 -0.24 0.00 -1.33 -3.07 0.00 0.00 177.93 173.74 1sqp n MET 329 N -5.18 1.11 -0.06 5.12 2.81 -1.26 -3.84 117.12 115.82 1sqp n MET 329 Ca 0.27 -0.17 0.02 0.00 -1.81 0.00 0.00 57.70 56.01 1sqp n MET 329 Cb 0.86 -1.31 0.05 0.00 -0.71 0.00 0.00 33.22 32.11 1sqp n MET 329 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1sqp n SER 330 N -0.62 2.30 -0.07 7.83 7.64 -0.79 -4.73 113.62 125.19 1sqp n SER 330 Ca 0.14 -1.96 -0.13 0.00 1.01 0.00 0.00 58.87 57.93 1sqp n SER 330 Cb 0.11 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1sqp n SER 330 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1sqp h ILE 331 N 0.75 1.34 0.38 0.44 2.04 -1.70 -2.06 117.51 118.70 1sqp h ILE 331 Ca 0.00 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1sqp h ILE 331 Cb 0.57 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1sqp h ILE 331 CO 0.00 0.42 -0.41 -0.78 0.00 0.00 0.00 178.15 177.39 1sqp h ASP 332 N 0.14 -1.11 -0.96 1.72 3.58 -1.85 -1.46 116.42 116.48 1sqp h ASP 332 Ca 0.03 0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.65 1sqp h ASP 332 Cb 0.77 0.38 -0.07 0.00 1.72 0.00 0.00 39.33 42.13 1sqp h ASP 332 CO 0.05 -0.55 0.62 0.44 -2.88 0.00 0.00 179.24 176.92 1sqp h ASP 333 N -0.81 0.95 -0.41 2.28 3.32 -1.87 -0.92 116.42 118.95 1sqp h ASP 333 Ca -0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sqp h ASP 333 Cb 0.73 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1sqp h ASP 333 CO -0.08 0.59 0.22 0.24 -1.72 0.00 0.00 179.24 178.49 1sqp h MET 334 N 1.07 0.58 -0.26 3.56 2.86 -0.94 -0.84 114.93 120.95 1sqp h MET 334 Ca 0.43 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1sqp h MET 334 Cb 0.26 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1sqp h MET 334 CO -0.18 0.48 0.18 1.98 1.06 0.00 0.00 176.91 180.43 1sqp h MET 335 N 0.53 0.35 0.14 1.72 1.85 -0.56 -0.07 114.93 118.89 1sqp h MET 335 Ca 0.14 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1sqp h MET 335 Cb 0.07 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1sqp h MET 335 CO -0.02 0.23 -0.10 0.35 -0.40 0.00 0.00 176.91 176.96 1sqp h PHE 336 N 0.36 -0.27 -0.25 1.39 3.57 -1.00 0.61 116.94 121.35 1sqp h PHE 336 Ca 0.10 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1sqp h PHE 336 Cb -0.04 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1sqp h PHE 336 CO -0.06 -0.16 -0.13 0.28 -2.23 0.00 0.00 178.31 176.01 1sqp h VAL 337 N -0.25 1.22 -0.02 1.41 2.07 -1.08 0.00 116.25 119.59 1sqp h VAL 337 Ca -0.01 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1sqp h VAL 337 Cb 0.22 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1sqp h VAL 337 CO -0.00 0.31 -0.04 0.25 0.02 0.00 0.00 177.57 178.11 1sqp h LEU 338 N 0.38 0.07 -0.99 2.57 5.85 -0.56 -2.70 115.31 119.94 1sqp h LEU 338 Ca 0.07 -0.53 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1sqp h LEU 338 Cb 0.46 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1sqp h LEU 338 CO 0.03 0.59 -0.40 1.56 -0.34 0.00 0.00 178.44 179.88 1sqp h GLN 339 N -0.44 0.20 -0.42 1.25 4.20 -0.66 -2.04 115.11 117.20 1sqp h GLN 339 Ca 0.00 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1sqp h GLN 339 Cb 0.58 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1sqp h GLN 339 CO 0.01 0.58 0.00 0.78 -0.67 0.00 0.00 178.83 179.53 1sqp h GLY 340 N 1.21 0.73 1.20 3.46 0.00 -1.03 -1.24 103.07 107.40 1sqp h GLY 340 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 46.69 1sqp h GLY 340 CO 0.06 0.43 -0.64 1.46 0.00 0.00 0.00 176.54 177.85 1sqp h GLN 341 N 0.64 0.82 -0.96 4.80 1.08 -1.07 0.07 115.11 120.48 1sqp h GLN 341 Ca 0.13 -0.57 0.04 0.00 -1.45 0.00 0.00 58.65 56.79 1sqp h GLN 341 Cb 0.40 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.86 1sqp h GLN 341 CO 0.01 1.20 0.63 -1.49 -0.95 0.00 0.00 178.83 178.23 1sqp h TRP 342 N 0.60 1.17 0.02 2.96 6.55 -0.81 -0.23 115.95 126.21 1sqp h TRP 342 Ca -0.01 0.03 -0.27 0.00 0.95 0.00 0.00 58.89 59.59 1sqp h TRP 342 Cb 1.25 -0.39 0.02 0.00 -0.86 0.00 0.00 29.16 29.18 1sqp h TRP 342 CO 0.08 0.67 -1.06 0.52 -1.05 0.00 0.00 178.44 177.60 1sqp h MET 343 N 1.21 0.65 -0.64 0.49 2.86 -1.21 0.99 114.93 119.28 1sqp h MET 343 Ca 0.38 -0.72 0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1sqp h MET 343 Cb 0.01 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1sqp h MET 343 CO -0.12 1.31 0.34 -0.09 1.06 0.00 0.00 176.91 179.40 1sqp h ARG 344 N 0.36 0.61 -0.23 1.72 2.43 -0.68 -1.08 114.38 117.51 1sqp h ARG 344 Ca -0.13 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.84 1sqp h ARG 344 Cb 1.71 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1sqp h ARG 344 CO 0.20 0.40 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.49 1sqp h LEU 345 N 0.63 0.70 -1.15 3.80 3.38 -0.87 0.36 115.31 122.15 1sqp h LEU 345 Ca 0.29 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1sqp h LEU 345 Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1sqp h LEU 345 CO -0.19 1.08 0.34 0.00 0.09 0.00 0.00 178.44 179.76 1sqp n THR 347 N -4.36 0.65 -2.37 0.00 -2.24 -0.46 -4.51 114.28 101.00 1sqp n THR 347 Ca 0.06 -0.38 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 1sqp n THR 347 Cb 0.12 -0.77 0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1sqp n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sqp n SER 348 N -2.40 0.60 -4.65 3.42 3.41 0.12 -5.08 113.62 109.05 1sqp n SER 348 Ca -0.16 -1.98 -0.50 0.00 -0.26 0.00 0.00 58.87 55.98 1sqp n SER 348 Cb 0.80 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1sqp n SER 348 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqp n ALA 349 N 0.37 0.28 -2.87 7.33 0.00 -1.04 -4.88 120.51 119.70 1sqp n ALA 349 Ca 0.01 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.65 1sqp n ALA 349 Cb 1.02 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1sqp n ALA 349 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqp s THR 350 N 1.38 4.82 0.22 0.00 -4.23 -1.26 -4.83 115.64 111.75 1sqp s THR 350 Ca 0.84 -1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.25 1sqp s THR 350 Cb -0.82 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 69.67 1sqp s THR 350 CO 0.45 -0.18 1.85 -0.08 -0.54 0.00 0.00 174.62 176.13 1sqp h GLU 351 N 2.00 0.86 -0.13 3.99 4.57 -1.95 -3.03 114.58 120.89 1sqp h GLU 351 Ca -0.49 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.58 1sqp h GLU 351 Cb 1.21 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1sqp h GLU 351 CO 0.64 0.57 -0.16 0.66 -1.18 0.00 0.00 179.01 179.55 1sqp h SER 352 N 0.89 0.36 -0.26 1.04 4.64 -2.00 -2.49 113.55 115.73 1sqp h SER 352 Ca 0.31 -0.50 0.07 0.00 -0.47 0.00 0.00 61.79 61.20 1sqp h SER 352 Cb 0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1sqp h SER 352 CO -0.13 0.79 0.19 1.05 -0.87 0.00 0.00 176.83 177.86 1sqp h GLU 353 N -0.07 0.00 -0.09 4.77 4.11 -2.00 0.96 114.58 122.27 1sqp h GLU 353 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 1sqp h GLU 353 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1sqp h GLU 353 CO 0.04 0.00 -0.51 0.28 0.07 0.00 0.00 179.01 178.89 1sqp h VAL 354 N 0.00 1.35 -0.29 -1.06 2.07 -1.42 -0.61 116.25 116.29 1sqp h VAL 354 Ca 0.12 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1sqp h VAL 354 Cb 0.49 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1sqp h VAL 354 CO -0.00 0.52 0.06 0.25 0.02 0.00 0.00 177.57 178.42 1sqp h LEU 355 N 0.18 0.45 -0.66 2.57 5.85 -0.39 -0.92 115.31 122.39 1sqp h LEU 355 Ca 0.01 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1sqp h LEU 355 Cb 0.97 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1sqp h LEU 355 CO 0.08 0.57 0.44 -0.09 -0.34 0.00 0.00 178.44 179.10 1sqp h ARG 356 N 0.30 0.87 -0.30 1.25 2.43 -0.88 0.46 114.38 118.51 1sqp h ARG 356 Ca 0.09 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1sqp h ARG 356 Cb 0.31 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1sqp h ARG 356 CO 0.00 0.58 0.10 0.78 -1.51 0.00 0.00 179.97 179.92 1sqp h GLY 357 N 0.90 0.37 0.96 2.80 0.00 -1.03 0.21 103.07 107.28 1sqp h GLY 357 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1sqp h GLY 357 CO -0.05 0.02 0.19 0.50 0.00 0.00 0.00 176.54 177.20 1sqp h LYS 358 N 0.22 0.46 -0.71 4.80 1.57 0.04 -1.90 116.57 121.06 1sqp h LYS 358 Ca 0.14 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1sqp h LYS 358 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1sqp h LYS 358 CO -0.15 0.38 0.46 -0.91 -0.57 0.00 0.00 179.45 178.66 1sqp h ASN 359 N 0.42 0.78 -0.44 0.86 2.35 0.14 -0.11 115.58 119.58 1sqp h ASN 359 Ca 0.12 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1sqp h ASN 359 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1sqp h ASN 359 CO -0.02 0.55 0.13 -0.07 -1.65 0.00 0.00 177.43 176.37 1sqp h LEU 360 N 0.92 0.71 -0.15 1.61 3.38 -0.40 -1.88 115.31 119.49 1sqp h LEU 360 Ca 0.27 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1sqp h LEU 360 Cb -0.05 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.52 1sqp h LEU 360 CO -0.08 0.70 -0.57 0.25 0.09 0.00 0.00 178.44 178.82 1sqp h LEU 361 N 0.74 0.77 -1.05 1.67 5.85 -0.60 0.58 115.31 123.27 1sqp h LEU 361 Ca 0.17 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1sqp h LEU 361 Cb 0.26 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1sqp h LEU 361 CO -0.00 1.25 0.54 0.03 -0.34 0.00 0.00 178.44 179.92 1sqp h ARG 362 N 0.33 1.20 -0.40 1.25 3.08 -0.91 -1.34 114.38 117.58 1sqp h ARG 362 Ca -0.03 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1sqp h ARG 362 Cb 1.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1sqp h ARG 362 CO 0.12 0.83 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.65 1sqp h ASN 363 N 1.22 0.95 -0.10 7.04 2.35 -1.11 -1.51 115.58 124.42 1sqp h ASN 363 Ca 0.32 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1sqp h ASN 363 Cb -0.07 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.03 1sqp h ASN 363 CO -0.06 1.19 0.06 0.00 -1.65 0.00 0.00 177.43 176.96 1sqp h ALA 364 N 0.79 0.13 -0.82 -0.83 0.00 -0.80 0.14 119.26 117.87 1sqp h ALA 364 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sqp h ALA 364 Cb 0.88 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1sqp h ALA 364 CO 0.08 -0.33 0.39 1.25 0.00 0.00 0.00 179.25 180.64 1sqp h LEU 365 N 0.07 1.07 0.15 0.00 5.85 -1.11 -0.18 115.31 121.16 1sqp h LEU 365 Ca 0.04 -0.13 -0.29 0.00 0.84 0.00 0.00 57.88 58.34 1sqp h LEU 365 Cb 0.07 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.84 1sqp h LEU 365 CO -0.01 0.90 -1.32 0.58 -0.34 0.00 0.00 178.44 178.26 1sqp h VAL 366 N 1.17 1.42 -0.48 1.05 2.07 -1.23 -3.01 116.25 117.24 1sqp h VAL 366 Ca 0.28 -2.98 -0.09 0.00 0.82 0.00 0.00 66.70 64.74 1sqp h VAL 366 Cb 0.11 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1sqp h VAL 366 CO -0.04 0.87 -0.05 -1.28 0.02 0.00 0.00 177.57 177.09 1sqp h SER 367 N 0.09 0.82 -0.53 0.57 0.87 -0.83 -3.21 113.55 111.33 1sqp h SER 367 Ca -0.17 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.08 1sqp h SER 367 Cb 2.01 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.73 1sqp h SER 367 CO 0.21 0.92 0.00 -0.74 -0.53 0.00 0.00 176.83 176.69 1sqp h HIS 368 N 0.77 1.02 -0.14 2.24 6.17 -1.07 -3.28 115.15 120.87 1sqp h HIS 368 Ca 0.14 -0.18 -0.21 0.00 0.71 0.00 0.00 60.37 60.84 1sqp h HIS 368 Cb 0.54 -0.27 -0.08 0.00 2.52 0.00 0.00 27.41 30.13 1sqp h HIS 368 CO 0.03 0.94 -0.23 1.28 0.71 0.00 0.00 177.93 180.66 1sqp n LEU 369 N -4.28 5.43 -4.10 0.26 7.99 -1.14 -4.74 117.00 116.41 1sqp n LEU 369 Ca 0.02 -3.19 -0.34 0.00 -0.01 0.00 0.00 56.01 52.49 1sqp n LEU 369 Cb 0.33 -1.35 -0.14 0.00 -0.11 0.00 0.00 43.42 42.15 1sqp n LEU 369 CO 0.43 1.61 -0.31 -0.62 -1.51 0.00 0.00 177.39 176.99 1sqp s ASP 370 N 1.76 4.90 0.00 -1.43 -1.08 -1.24 -4.84 116.67 114.75 1sqp s ASP 370 Ca 0.57 -1.75 0.00 0.00 -0.52 0.00 0.00 52.55 50.85 1sqp s ASP 370 Cb 0.29 -1.70 0.00 0.00 -1.46 0.00 0.00 42.92 40.04 1sqp s ASP 370 CO -0.03 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.91 1sqp n GLY 371 N 4.49 2.01 0.33 2.66 0.00 -1.26 -4.67 105.19 108.75 1sqp n GLY 371 Ca -0.06 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 1sqp n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sqp h THR 372 N 0.00 1.24 0.61 2.61 1.35 -1.95 -2.99 112.91 113.78 1sqp h THR 372 Ca 0.00 -0.53 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 1sqp h THR 372 Cb 0.00 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1sqp h THR 372 CO 0.00 0.25 -0.30 0.74 -0.25 0.00 0.00 175.52 175.97 1sqp h THR 373 N 1.15 0.33 -0.93 6.82 2.02 -1.89 -0.94 112.91 119.46 1sqp h THR 373 Ca 0.30 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1sqp h THR 373 Cb -0.02 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1sqp h THR 373 CO -0.05 0.03 0.61 -0.65 0.37 0.00 0.00 175.52 175.83 1sqp h PRO 374 N -0.97 1.13 -0.29 6.66 0.11 -1.83 -1.80 132.00 135.01 1sqp h PRO 374 Ca -0.08 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.82 1sqp h PRO 374 Cb 0.68 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1sqp h PRO 374 CO 0.14 0.75 -0.35 0.28 -0.21 0.00 0.00 178.00 178.60 1sqp h VAL 375 N 1.17 1.30 -0.68 3.15 2.07 -1.53 -1.14 116.25 120.58 1sqp h VAL 375 Ca 0.37 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1sqp h VAL 375 Cb 0.03 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1sqp h VAL 375 CO -0.12 0.49 0.29 0.00 0.02 0.00 0.00 177.57 178.26 1sqp h GLU 377 N 0.98 1.14 -0.29 0.00 4.22 -1.17 -2.03 114.58 117.42 1sqp h GLU 377 Ca 0.23 -0.28 -0.12 0.00 0.08 0.00 0.00 59.36 59.28 1sqp h GLU 377 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1sqp h GLU 377 CO -0.02 1.00 -0.31 0.22 -2.18 0.00 0.00 179.01 177.72 1sqp h ASP 378 N 1.08 0.63 -0.10 1.04 3.58 0.05 -1.06 116.42 121.63 1sqp h ASP 378 Ca 0.22 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1sqp h ASP 378 Cb 0.38 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1sqp h ASP 378 CO 0.00 0.90 0.01 0.40 -2.88 0.00 0.00 179.24 177.67 1sqp h ILE 379 N 0.52 1.24 -0.18 2.25 2.04 -0.79 -2.07 117.51 120.52 1sqp h ILE 379 Ca 0.06 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1sqp h ILE 379 Cb 0.79 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1sqp h ILE 379 CO 0.07 0.22 0.10 1.23 0.00 0.00 0.00 178.15 179.76 1sqp h GLY 380 N -0.08 0.27 0.81 5.37 0.00 -1.20 -2.40 103.07 105.86 1sqp h GLY 380 Ca 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1sqp h GLY 380 CO 0.00 0.12 -0.12 -0.09 0.00 0.00 0.00 176.54 176.45 1sqp h ARG 381 N 0.19 0.45 -0.33 4.80 9.65 -1.28 -2.84 114.38 125.02 1sqp h ARG 381 Ca 0.06 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1sqp h ARG 381 Cb 0.07 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1sqp h ARG 381 CO -0.01 0.75 0.16 0.77 2.80 0.00 0.00 179.97 184.44 1sqp h SER 382 N 0.14 0.23 -0.37 -3.80 0.02 -1.33 -0.23 113.55 108.22 1sqp h SER 382 Ca 0.04 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1sqp h SER 382 Cb 0.63 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1sqp h SER 382 CO 0.03 0.17 0.17 -0.07 -1.14 0.00 0.00 176.83 176.00 1sqp h LEU 383 N 0.34 0.54 -0.42 5.07 -0.00 -1.46 0.74 115.31 120.10 1sqp h LEU 383 Ca 0.14 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 1sqp h LEU 383 Cb 0.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1sqp h LEU 383 CO -0.10 0.48 -0.50 -0.07 -0.00 0.00 0.00 178.44 178.26 1sqp h LEU 384 N 0.59 0.00 0.00 1.67 3.38 -0.96 -2.87 115.31 117.13 1sqp h LEU 384 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1sqp h LEU 384 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1sqp h LEU 384 CO -0.02 0.50 -1.35 0.35 0.09 0.00 0.00 178.44 178.01 1sqp n THR 385 N -3.37 1.40 0.97 0.22 -2.24 -0.22 -4.71 114.28 106.32 1sqp n THR 385 Ca 0.01 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1sqp n THR 385 Cb 0.65 -2.09 0.25 0.00 -2.10 0.00 0.00 70.33 67.04 1sqp n THR 385 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sqp n TYR 386 N -4.22 0.03 -0.88 4.78 4.01 0.25 -4.80 117.16 116.34 1sqp n TYR 386 Ca -0.24 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1sqp n TYR 386 Cb 0.57 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1sqp n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqp n GLY 387 N 1.49 0.77 3.74 2.72 0.00 -0.98 -4.92 105.19 108.01 1sqp n GLY 387 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1sqp n GLY 387 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sqp s ARG 388 N -0.23 1.65 -0.26 1.61 1.70 -1.25 -4.86 118.95 117.30 1sqp s ARG 388 Ca 0.00 -0.91 -0.23 0.00 -0.47 0.00 0.00 55.73 54.12 1sqp s ARG 388 Cb 0.00 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1sqp s ARG 388 CO 0.00 -0.74 0.75 0.50 -1.08 0.00 0.00 175.30 174.73 1sqp s ARG 389 N -3.89 4.11 -0.39 3.89 6.06 -1.26 -3.75 118.95 123.71 1sqp s ARG 389 Ca 0.10 0.72 -0.27 0.00 -2.50 0.00 0.00 55.73 53.78 1sqp s ARG 389 Cb -0.04 -3.67 0.02 0.00 0.06 0.00 0.00 34.95 31.32 1sqp s ARG 389 CO 0.03 -0.52 1.01 0.42 -2.50 0.00 0.00 175.30 173.75 1sqp s ILE 390 N 2.75 4.46 0.75 4.11 1.01 -1.26 -5.00 121.20 128.01 1sqp s ILE 390 Ca 0.31 1.30 -0.13 0.00 0.00 0.00 0.00 60.65 62.13 1sqp s ILE 390 Cb -0.15 -4.43 0.05 0.00 0.01 0.00 0.00 42.46 37.94 1sqp s ILE 390 CO 0.09 -0.66 1.14 -2.16 0.00 0.00 0.00 174.94 173.35 1sqp s PRO 391 N 3.78 2.19 0.31 2.79 0.04 -1.26 -4.84 135.00 138.01 1sqp s PRO 391 Ca 0.42 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1sqp s PRO 391 Cb -0.11 -1.87 0.58 0.00 0.04 0.00 0.00 34.50 33.15 1sqp s PRO 391 CO 0.22 -1.74 1.90 -0.07 0.04 0.00 0.00 177.00 177.34 1sqp h LEU 392 N -0.61 0.87 -1.13 -3.56 4.07 -1.95 -2.54 115.31 110.45 1sqp h LEU 392 Ca -0.46 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.49 1sqp h LEU 392 Cb 1.26 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 1sqp h LEU 392 CO 0.50 0.53 0.22 0.00 -1.08 0.00 0.00 178.44 178.61 1sqp h ALA 393 N 1.53 1.32 -0.58 1.53 0.00 -1.92 -0.19 119.26 120.95 1sqp h ALA 393 Ca 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1sqp h ALA 393 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sqp h ALA 393 CO -0.17 0.51 0.18 1.49 0.00 0.00 0.00 179.25 181.26 1sqp h GLU 394 N 0.82 0.89 -0.22 0.00 4.81 -1.83 0.15 114.58 119.20 1sqp h GLU 394 Ca 0.20 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1sqp h GLU 394 Cb 0.17 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1sqp h GLU 394 CO -0.02 0.80 0.10 -1.49 -0.73 0.00 0.00 179.01 177.67 1sqp h TRP 395 N 0.81 0.18 -0.61 0.92 -0.00 -1.11 0.57 115.95 116.70 1sqp h TRP 395 Ca 0.19 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.13 1sqp h TRP 395 Cb 0.28 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.16 29.34 1sqp h TRP 395 CO 0.02 0.10 0.36 1.49 -0.00 0.00 0.00 178.44 180.40 1sqp h GLU 396 N 0.21 0.67 0.17 0.49 4.57 -0.86 0.32 114.58 120.15 1sqp h GLU 396 Ca 0.09 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1sqp h GLU 396 Cb 0.04 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1sqp h GLU 396 CO -0.07 0.44 -0.31 1.03 -1.18 0.00 0.00 179.01 178.92 1sqp h SER 397 N 0.69 -0.87 0.40 1.04 0.87 -0.44 0.10 113.55 115.34 1sqp h SER 397 Ca 0.26 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1sqp h SER 397 Cb 0.09 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1sqp h SER 397 CO -0.13 -0.41 -0.16 -0.09 -0.53 0.00 0.00 176.83 175.51 1sqp h ARG 398 N -0.56 0.00 0.01 2.24 2.43 -0.10 -2.64 114.38 115.76 1sqp h ARG 398 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1sqp h ARG 398 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1sqp h ARG 398 CO -0.15 0.16 -0.01 0.82 -1.51 0.00 0.00 179.97 179.29 1sqp h ILE 399 N 0.00 1.55 -0.39 1.20 2.04 0.10 -3.33 117.51 118.68 1sqp h ILE 399 Ca -0.00 -1.81 0.11 0.00 1.00 0.00 0.00 64.86 64.16 1sqp h ILE 399 Cb 0.40 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 1sqp h ILE 399 CO 0.02 0.46 0.31 0.00 0.00 0.00 0.00 178.15 178.94 1sqp h ALA 400 N 0.14 2.28 0.00 1.87 0.00 -0.48 -0.40 119.26 122.67 1sqp h ALA 400 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1sqp h ALA 400 Cb 0.77 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sqp h ALA 400 CO 0.00 -0.51 -0.27 0.93 0.00 0.00 0.00 179.25 179.40 1sqp h GLU 401 N 0.00 0.00 -6.30 0.00 5.08 -1.58 -3.43 114.58 108.34 1sqp h GLU 401 Ca 0.19 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.00 1sqp h GLU 401 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1sqp h GLU 401 CO -0.00 0.27 0.89 0.08 -1.00 0.00 0.00 179.01 179.25 1sqp s VAL 402 N -4.18 3.84 0.38 3.13 1.01 -0.16 -4.96 120.40 119.45 1sqp s VAL 402 Ca -0.03 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.10 1sqp s VAL 402 Cb 0.14 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1sqp s VAL 402 CO 0.68 -0.04 0.03 -0.90 0.00 0.00 0.00 175.10 174.86 1sqp n ASP 403 N 5.95 2.61 -0.26 3.32 5.68 -1.26 -4.98 116.55 127.61 1sqp n ASP 403 Ca 0.14 -2.72 0.06 0.00 -0.50 0.00 0.00 54.79 51.76 1sqp n ASP 403 Cb 0.44 0.41 0.19 0.00 -1.14 0.00 0.00 41.12 41.02 1sqp n ASP 403 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqp h ALA 404 N 1.28 1.06 -0.73 2.12 0.00 -1.87 -1.69 119.26 119.43 1sqp h ALA 404 Ca -0.31 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sqp h ALA 404 Cb 0.98 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1sqp h ALA 404 CO 0.51 -0.23 0.47 -0.09 0.00 0.00 0.00 179.25 179.91 1sqp h ARG 405 N 0.42 0.97 0.05 0.00 2.43 -1.97 -1.77 114.38 114.50 1sqp h ARG 405 Ca 0.42 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1sqp h ARG 405 Cb 0.65 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1sqp h ARG 405 CO -0.42 0.65 -0.02 0.28 -1.51 0.00 0.00 179.97 178.95 1sqp h VAL 406 N 0.99 0.97 0.03 0.20 2.07 -1.71 -0.74 116.25 118.06 1sqp h VAL 406 Ca 0.26 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.77 1sqp h VAL 406 Cb -0.09 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1sqp h VAL 406 CO -0.06 0.01 -0.29 0.58 0.02 0.00 0.00 177.57 177.84 1sqp h VAL 407 N -0.08 0.36 -0.07 2.57 2.07 -1.06 0.97 116.25 121.01 1sqp h VAL 407 Ca -0.01 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1sqp h VAL 407 Cb 0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1sqp h VAL 407 CO 0.01 0.00 -0.34 0.08 0.02 0.00 0.00 177.57 177.34 1sqp h ARG 408 N -0.45 0.14 -0.06 1.57 0.11 -1.26 0.66 114.38 115.09 1sqp h ARG 408 Ca 0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1sqp h ARG 408 Cb 0.52 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 1sqp h ARG 408 CO -0.23 0.47 -0.01 1.49 0.10 0.00 0.00 179.97 181.80 1sqp h GLU 409 N 0.12 0.12 -0.18 0.08 4.81 -0.73 -2.20 114.58 116.60 1sqp h GLU 409 Ca 0.02 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 1sqp h GLU 409 Cb 0.66 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1sqp h GLU 409 CO 0.05 0.41 -0.72 0.28 -0.73 0.00 0.00 179.01 178.30 1sqp h VAL 410 N -0.19 1.28 -0.58 0.32 2.07 -0.30 -1.27 116.25 117.57 1sqp h VAL 410 Ca 0.02 -1.91 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 1sqp h VAL 410 Cb 0.37 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1sqp h VAL 410 CO 0.00 0.61 0.02 0.00 0.02 0.00 0.00 177.57 178.22 1sqp h SER 412 N 0.92 0.50 -0.82 0.00 0.02 -1.32 0.51 113.55 113.36 1sqp h SER 412 Ca 0.17 -0.21 0.20 0.00 -0.84 0.00 0.00 61.79 61.11 1sqp h SER 412 Cb 0.51 -0.13 -0.13 0.00 0.14 0.00 0.00 62.40 62.79 1sqp h SER 412 CO 0.02 0.57 0.20 0.50 -1.14 0.00 0.00 176.83 176.99 1sqp h LYS 413 N 0.40 0.23 0.00 3.45 3.64 -1.01 -2.18 116.57 121.10 1sqp h LYS 413 Ca 0.11 -0.01 -0.37 0.00 -1.27 0.00 0.00 60.65 59.10 1sqp h LYS 413 Cb 0.25 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1sqp h LYS 413 CO -0.00 0.15 -2.38 0.66 -2.27 0.00 0.00 179.45 175.61 1sqp n TYR 414 N -5.20 0.05 -0.13 1.91 4.01 -1.04 -4.69 117.16 112.07 1sqp n TYR 414 Ca 0.18 0.02 -0.26 0.00 -0.16 0.00 0.00 57.90 57.68 1sqp n TYR 414 Cb 0.58 -1.01 -0.10 0.00 -0.31 0.00 0.00 39.34 38.50 1sqp n TYR 414 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1sqp n PHE 415 N -2.87 0.00 -1.61 -0.72 3.72 0.18 -4.72 117.46 111.43 1sqp n PHE 415 Ca -0.35 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.59 1sqp n PHE 415 Cb 1.12 -0.96 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 1sqp n PHE 415 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1sqp n TYR 416 N -3.98 2.11 -3.57 1.38 9.36 -0.82 -2.78 117.16 118.87 1sqp n TYR 416 Ca -0.51 -0.08 -0.20 0.00 3.32 0.00 0.00 57.90 60.43 1sqp n TYR 416 Cb 0.89 -2.69 0.07 0.00 -0.63 0.00 0.00 39.34 36.98 1sqp n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1sqp n ASP 417 N 9.21 -2.76 -4.44 2.98 2.03 0.39 -4.89 116.55 119.08 1sqp n ASP 417 Ca 0.28 -0.67 -0.28 0.00 0.52 0.00 0.00 54.79 54.64 1sqp n ASP 417 Cb 0.36 -4.74 -0.12 0.00 -0.72 0.00 0.00 41.12 35.90 1sqp n ASP 417 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1sqp s GLN 418 N -5.78 1.57 -0.28 -0.67 -1.52 -1.12 -5.08 119.66 106.79 1sqp s GLN 418 Ca 0.15 -1.37 -0.23 0.00 -1.95 0.00 0.00 55.36 51.96 1sqp s GLN 418 Cb -0.07 -1.95 -0.00 0.00 -0.22 0.00 0.00 33.01 30.77 1sqp s GLN 418 CO 0.76 0.44 0.77 0.00 -0.25 0.00 0.00 175.29 177.01 1sqp s PRO 420 N 2.85 3.50 -0.14 0.00 0.04 -1.26 -4.51 135.00 135.48 1sqp s PRO 420 Ca 0.32 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 1sqp s PRO 420 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1sqp s PRO 420 CO 0.11 -0.70 0.38 0.00 0.04 0.00 0.00 177.00 176.82 1sqp s ALA 421 N -1.93 3.55 -0.08 8.56 0.00 0.35 -2.35 121.76 129.85 1sqp s ALA 421 Ca 0.70 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1sqp s ALA 421 Cb -0.20 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1sqp s ALA 421 CO 0.26 0.07 -0.13 0.08 0.00 0.00 0.00 175.76 176.03 1sqp s VAL 422 N 0.47 1.26 -0.08 0.00 1.01 0.52 0.07 120.40 123.65 1sqp s VAL 422 Ca 0.21 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1sqp s VAL 422 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1sqp s VAL 422 CO 0.07 0.39 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 1sqp s ALA 423 N 0.85 1.17 0.10 5.51 0.00 0.31 -0.25 121.76 129.45 1sqp s ALA 423 Ca -0.11 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1sqp s ALA 423 Cb -0.15 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1sqp s ALA 423 CO 0.01 -0.08 -0.18 0.20 0.00 0.00 0.00 175.76 175.71 1sqp s GLY 424 N 1.05 1.13 -0.22 0.00 0.00 0.47 -0.50 107.32 109.26 1sqp s GLY 424 Ca -0.08 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.28 1sqp s GLY 424 CO -0.01 -1.21 0.56 -0.12 0.00 0.00 0.00 173.10 172.33 1sqp s PHE 425 N -1.30 -0.70 0.00 1.90 5.36 0.22 -1.49 117.98 121.97 1sqp s PHE 425 Ca 0.05 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 1sqp s PHE 425 Cb -0.09 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1sqp s PHE 425 CO 0.04 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 1sqp n GLY 426 N 3.27 1.06 3.55 13.12 0.00 -0.72 -1.00 105.19 124.48 1sqp n GLY 426 Ca -0.16 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1sqp n GLY 426 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sqp s PRO 427 N 0.00 4.01 -0.11 1.61 0.02 -1.14 -0.11 135.00 139.29 1sqp s PRO 427 Ca 0.00 -2.12 0.14 0.00 0.02 0.00 0.00 61.00 59.05 1sqp s PRO 427 Cb 0.00 -5.44 0.46 0.00 0.02 0.00 0.00 34.50 29.54 1sqp s PRO 427 CO 0.00 -2.15 1.37 0.44 -0.33 0.00 0.00 177.00 176.33 1sqp n ILE 428 N 6.02 1.77 -0.31 2.83 -5.35 -1.26 -4.52 119.36 118.53 1sqp n ILE 428 Ca 0.46 -1.49 0.25 0.00 -0.27 0.00 0.00 62.75 61.70 1sqp n ILE 428 Cb 0.45 0.06 0.55 0.00 -1.74 0.00 0.00 39.64 38.97 1sqp n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1sqp h GLU 429 N 2.04 0.31 -0.04 6.28 4.81 -1.92 0.16 114.58 126.22 1sqp h GLU 429 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sqp h GLU 429 Cb 1.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1sqp h GLU 429 CO 0.14 0.21 0.00 0.94 -0.73 0.00 0.00 179.01 179.57 1sqp n GLN 430 N -4.54 1.72 -2.03 1.92 7.27 -1.26 -4.87 117.38 115.59 1sqp n GLN 430 Ca 0.25 -1.06 -0.42 0.00 0.07 0.00 0.00 57.00 55.84 1sqp n GLN 430 Cb 0.93 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 32.08 1sqp n GLN 430 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1sqp s LEU 431 N -1.93 4.33 0.51 1.69 2.96 0.57 -3.88 118.68 122.94 1sqp s LEU 431 Ca 0.37 2.29 -0.21 0.00 -0.22 0.00 0.00 54.13 56.35 1sqp s LEU 431 Cb 0.20 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.27 1sqp s LEU 431 CO 0.32 -0.86 1.00 -2.65 -1.32 0.00 0.00 176.35 172.84 1sqp n PRO 432 N 6.18 1.18 -1.72 0.98 -0.02 -1.26 -4.98 135.00 135.37 1sqp n PRO 432 Ca 0.16 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 1sqp n PRO 432 Cb 0.42 -2.13 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1sqp n PRO 432 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqp s ASP 433 N -0.96 4.68 0.20 2.55 -1.08 -1.26 -4.77 116.67 116.03 1sqp s ASP 433 Ca 0.69 2.40 -0.11 0.00 -0.52 0.00 0.00 52.55 55.01 1sqp s ASP 433 Cb -0.48 -2.60 0.21 0.00 -1.46 0.00 0.00 42.92 38.60 1sqp s ASP 433 CO 0.52 -1.94 1.79 0.22 0.52 0.00 0.00 175.17 176.28 1sqp h TYR 434 N 0.30 0.56 -0.92 -5.34 5.03 -1.99 -1.11 116.97 113.49 1sqp h TYR 434 Ca -0.49 0.02 0.18 0.00 2.58 0.00 0.00 58.73 61.02 1sqp h TYR 434 Cb 1.30 -0.16 -0.10 0.00 1.55 0.00 0.00 36.73 39.31 1sqp h TYR 434 CO 0.46 0.25 0.51 -0.91 -1.32 0.00 0.00 178.16 177.15 1sqp h ASN 435 N 0.58 0.61 -0.19 -2.11 2.35 -1.98 0.37 115.58 115.20 1sqp h ASN 435 Ca 0.28 0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 56.02 1sqp h ASN 435 Cb 0.20 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1sqp h ASN 435 CO -0.19 0.21 -0.32 0.03 -1.65 0.00 0.00 177.43 175.50 1sqp h ARG 436 N 0.65 0.56 -0.44 0.81 2.47 -1.64 0.16 114.38 116.94 1sqp h ARG 436 Ca 0.53 -0.34 0.04 0.00 -1.26 0.00 0.00 59.98 58.94 1sqp h ARG 436 Cb 0.83 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.15 1sqp h ARG 436 CO -0.40 0.95 0.22 0.82 0.56 0.00 0.00 179.97 182.12 1sqp h ILE 437 N 0.23 0.96 -0.05 2.04 2.04 -0.34 -1.74 117.51 120.65 1sqp h ILE 437 Ca 0.01 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1sqp h ILE 437 Cb 0.91 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1sqp h ILE 437 CO 0.07 0.08 -0.24 -0.09 0.00 0.00 0.00 178.15 177.97 1sqp h ARG 438 N 0.43 0.09 -0.02 2.37 9.65 0.11 -1.54 114.38 125.47 1sqp h ARG 438 Ca 0.19 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.92 1sqp h ARG 438 Cb 0.10 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1sqp h ARG 438 CO -0.14 0.33 -0.57 0.77 2.80 0.00 0.00 179.97 183.16 1sqp h SER 439 N 0.08 0.06 0.21 -3.80 0.02 0.03 -2.37 113.55 107.78 1sqp h SER 439 Ca 0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1sqp h SER 439 Cb 0.48 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1sqp h SER 439 CO 0.03 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.95 1sqp n GLY 440 N 0.13 -0.69 0.42 -3.77 0.00 -0.58 -2.88 105.19 97.81 1sqp n GLY 440 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1sqp n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqp n MET 441 N -1.22 1.56 -3.93 1.61 2.00 -0.89 -4.74 117.12 111.50 1sqp n MET 441 Ca 0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 57.70 56.85 1sqp n MET 441 Cb 0.10 -1.40 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 1sqp n MET 441 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1sqp s PHE 442 N -1.87 0.28 -0.07 2.03 -0.12 -1.14 -0.46 117.98 116.64 1sqp s PHE 442 Ca 0.33 -0.64 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 1sqp s PHE 442 Cb 0.17 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1sqp s PHE 442 CO 0.27 -0.87 -0.18 -1.58 -0.05 0.00 0.00 175.22 172.82 1sqp s TRP 443 N -3.97 1.88 0.43 3.49 0.51 -1.26 -4.96 118.94 115.06 1sqp s TRP 443 Ca 0.18 -0.66 0.14 0.00 -2.12 0.00 0.00 56.10 53.64 1sqp s TRP 443 Cb 0.01 -1.29 0.94 0.00 -0.81 0.00 0.00 33.47 32.32 1sqp s TRP 443 CO 0.03 -0.27 1.95 -0.07 -0.51 0.00 0.00 176.95 178.08 1sqp h LEU 444 N 6.60 0.00 -1.35 2.99 3.38 -2.02 -2.91 115.31 122.00 1sqp h LEU 444 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1sqp h LEU 444 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1sqp h LEU 444 CO 0.47 0.23 -0.27 0.08 0.09 0.00 0.00 178.44 179.04 1sqp h ARG 445 N 0.00 0.00 -0.02 1.13 0.11 -2.05 -3.58 114.38 109.97 1sqp h ARG 445 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sqp h ARG 445 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1sqp h ARG 445 CO 0.03 0.27 0.00 0.34 0.10 0.00 0.00 179.97 180.71