#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqg h LEU 5 N 0.00 0.85 -9.34 -3.43 5.85 -1.93 -3.42 115.31 103.88 1gqg h LEU 5 Ca 0.00 -0.07 -0.56 0.00 0.84 0.00 0.00 57.88 58.10 1gqg h LEU 5 Cb 0.00 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1gqg h LEU 5 CO 0.00 0.69 0.25 -0.63 -0.34 0.00 0.00 178.44 178.42 1gqg s ILE 6 N -5.63 4.95 0.20 4.05 1.01 -1.26 -1.09 121.20 123.43 1gqg s ILE 6 Ca -0.11 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.34 1gqg s ILE 6 Cb 0.17 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1gqg s ILE 6 CO 0.79 0.17 -0.17 0.68 0.00 0.00 0.00 174.94 176.42 1gqg s VAL 7 N 1.14 1.90 -0.09 2.92 -7.23 -0.44 -4.94 120.40 113.66 1gqg s VAL 7 Ca 0.43 -2.15 0.22 0.00 -1.81 0.00 0.00 61.98 58.67 1gqg s VAL 7 Cb -0.19 -2.02 -0.25 0.00 0.56 0.00 0.00 36.38 34.48 1gqg s VAL 7 CO 0.21 -0.46 0.58 -0.62 -0.31 0.00 0.00 175.10 174.49 1gqg n GLU 8 N -0.19 0.65 -4.08 4.82 -0.58 -1.26 -4.37 120.64 115.63 1gqg n GLU 8 Ca -0.09 -0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.41 1gqg n GLU 8 Cb 0.59 -1.60 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1gqg n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gqg s ASP 9 N -4.84 0.92 0.36 1.62 1.01 -1.26 -1.18 116.67 113.30 1gqg s ASP 9 Ca -0.06 -0.53 -0.28 0.00 0.71 0.00 0.00 52.55 52.39 1gqg s ASP 9 Cb 0.12 0.02 -0.11 0.00 1.01 0.00 0.00 42.92 43.97 1gqg s ASP 9 CO 0.87 -0.17 1.44 0.00 0.21 0.00 0.00 175.17 177.52 1gqg s ALA 10 N -1.29 3.56 0.93 5.23 0.00 -1.26 -4.95 121.76 123.98 1gqg s ALA 10 Ca -0.08 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1gqg s ALA 10 Cb -0.10 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.61 1gqg s ALA 10 CO 0.01 -0.93 1.11 -2.14 0.00 0.00 0.00 175.76 173.81 1gqg s PRO 11 N -1.93 0.88 0.00 0.00 0.02 -1.26 -4.92 135.00 127.79 1gqg s PRO 11 Ca 0.52 1.31 0.14 0.00 0.02 0.00 0.00 61.00 63.00 1gqg s PRO 11 Cb -0.44 -1.73 0.45 0.00 0.02 0.00 0.00 34.50 32.79 1gqg s PRO 11 CO 0.59 -2.65 1.35 -0.40 -0.33 0.00 0.00 177.00 175.57 1gqg n ASP 12 N -4.22 1.95 -3.92 2.53 5.68 -1.26 -3.19 116.55 114.11 1gqg n ASP 12 Ca 0.10 -1.92 -0.09 0.00 -0.50 0.00 0.00 54.79 52.37 1gqg n ASP 12 Cb 0.53 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 1gqg n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1gqg s HIS 13 N -1.57 0.19 -0.08 2.11 -3.43 -1.25 -4.73 115.29 106.54 1gqg s HIS 13 Ca 0.27 -0.56 -0.30 0.00 -0.80 0.00 0.00 55.06 53.67 1gqg s HIS 13 Cb 0.14 0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1gqg s HIS 13 CO 0.20 -0.99 1.07 0.08 -2.00 0.00 0.00 174.74 173.10 1gqg s VAL 14 N -3.97 4.62 0.01 -5.38 1.01 -1.25 -4.50 120.40 110.93 1gqg s VAL 14 Ca 0.18 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.77 1gqg s VAL 14 Cb -0.01 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1gqg s VAL 14 CO 0.06 0.02 0.86 0.00 0.00 0.00 0.00 175.10 176.04 1gqg s ARG 15 N 1.96 0.86 0.24 2.72 1.70 -1.26 -5.06 118.95 120.10 1gqg s ARG 15 Ca 0.51 -0.31 -0.30 0.00 -0.47 0.00 0.00 55.73 55.16 1gqg s ARG 15 Cb -0.21 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 1gqg s ARG 15 CO 0.20 -0.37 1.49 -2.14 -1.08 0.00 0.00 175.30 173.40 1gqg s PRO 16 N -3.14 4.23 0.15 3.89 0.02 -1.26 -4.64 135.00 134.25 1gqg s PRO 16 Ca 0.04 2.36 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 1gqg s PRO 16 Cb -0.01 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.45 1gqg s PRO 16 CO -0.09 -0.49 0.51 1.52 -0.33 0.00 0.00 177.00 178.11 1gqg s TYR 17 N 0.24 -0.34 -0.03 6.54 1.13 -1.03 -4.88 117.35 118.99 1gqg s TYR 17 Ca 0.62 0.07 0.05 0.00 -1.41 0.00 0.00 57.07 56.40 1gqg s TYR 17 Cb -0.43 0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1gqg s TYR 17 CO 0.41 -0.80 -0.19 0.08 -2.51 0.00 0.00 175.55 172.55 1gqg s VAL 18 N -3.79 1.53 -0.09 -3.49 1.01 -0.25 -1.04 120.40 114.28 1gqg s VAL 18 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1gqg s VAL 18 Cb 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1gqg s VAL 18 CO -0.11 0.43 -0.09 -0.51 0.00 0.00 0.00 175.10 174.82 1gqg s ILE 19 N -0.24 1.06 0.53 2.22 2.07 -0.15 -1.33 121.20 125.37 1gqg s ILE 19 Ca 0.02 -0.36 -0.20 0.00 -1.41 0.00 0.00 60.65 58.70 1gqg s ILE 19 Cb -0.09 -1.03 -0.06 0.00 0.13 0.00 0.00 42.46 41.40 1gqg s ILE 19 CO 0.01 0.36 1.11 -0.13 -1.91 0.00 0.00 174.94 174.38 1gqg s ARG 20 N 1.27 3.45 0.21 3.50 1.81 -1.26 -0.95 118.95 126.98 1gqg s ARG 20 Ca -0.03 1.56 -0.32 0.00 -1.72 0.00 0.00 55.73 55.22 1gqg s ARG 20 Cb -0.14 -2.03 -0.14 0.00 -0.45 0.00 0.00 34.95 32.19 1gqg s ARG 20 CO -0.03 -0.76 1.28 1.58 -0.68 0.00 0.00 175.30 176.69 1gqg n HIS 21 N -1.22 1.74 -1.19 -0.53 -0.00 -1.25 -1.63 115.22 111.14 1gqg n HIS 21 Ca 0.11 0.55 -0.07 0.00 0.46 0.00 0.00 57.72 58.78 1gqg n HIS 21 Cb 0.51 -2.37 -0.03 0.00 -0.12 0.00 0.00 29.99 27.98 1gqg n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1gqg n TYR 22 N 1.63 0.00 -0.70 1.57 4.01 -1.26 -4.98 117.16 117.43 1gqg n TYR 22 Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1gqg n TYR 22 Cb 0.28 -1.74 0.20 0.00 -0.31 0.00 0.00 39.34 37.77 1gqg n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqg s SER 23 N -2.48 2.14 0.16 7.72 0.01 -0.65 -4.81 113.70 115.79 1gqg s SER 23 Ca 0.00 1.80 -0.21 0.00 1.31 0.00 0.00 55.95 58.86 1gqg s SER 23 Cb 0.00 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.88 1gqg s SER 23 CO 0.00 -3.52 1.64 -0.74 0.41 0.00 0.00 173.24 171.03 1gqg h HIS 24 N -2.16 -0.50 -6.54 2.43 2.76 -1.88 -3.46 115.15 105.80 1gqg h HIS 24 Ca -0.52 0.04 -0.51 0.00 -2.20 0.00 0.00 60.37 57.18 1gqg h HIS 24 Cb 1.30 0.27 -0.08 0.00 1.55 0.00 0.00 27.41 30.44 1gqg h HIS 24 CO 0.39 -0.27 -0.87 0.00 -1.30 0.00 0.00 177.93 175.87 1gqg n ALA 25 N -2.78 -1.84 -3.92 5.26 0.00 -0.33 -0.97 120.51 115.94 1gqg n ALA 25 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1gqg n ALA 25 Cb 0.27 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 17.76 1gqg n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqg n ARG 26 N -4.41 -5.11 -1.68 0.00 1.74 -1.26 -1.09 116.66 104.84 1gqg n ARG 26 Ca -0.22 0.57 -0.44 0.00 -0.77 0.00 0.00 57.85 56.99 1gqg n ARG 26 Cb 0.64 -5.36 -0.02 0.00 -1.02 0.00 0.00 32.46 26.70 1gqg n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqg n ALA 27 N -4.59 1.33 -2.27 7.54 0.00 -0.14 -4.73 120.51 117.65 1gqg n ALA 27 Ca -0.02 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 1gqg n ALA 27 Cb 0.55 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 1gqg n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1gqg s VAL 28 N -0.23 1.02 0.08 0.00 -7.23 -0.86 -1.51 120.40 111.68 1gqg s VAL 28 Ca 0.65 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 1gqg s VAL 28 Cb -0.62 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1gqg s VAL 28 CO 0.52 -0.58 -0.14 0.42 -0.31 0.00 0.00 175.10 175.00 1gqg s THR 29 N -3.43 3.09 -0.22 5.32 -4.23 0.22 -0.53 115.64 115.85 1gqg s THR 29 Ca 0.21 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1gqg s THR 29 Cb 0.04 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.56 1gqg s THR 29 CO 0.03 0.20 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.60 1gqg s VAL 30 N -1.09 1.23 0.00 2.29 1.01 -0.07 -0.92 120.40 122.84 1gqg s VAL 30 Ca 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1gqg s VAL 30 Cb -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1gqg s VAL 30 CO 0.10 -0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.53 1gqg n ASP 31 N 4.78 0.00 -0.10 3.32 8.00 -1.26 -1.04 116.55 130.26 1gqg n ASP 31 Ca -0.11 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.53 1gqg n ASP 31 Cb 0.45 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.12 1gqg n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1gqg n THR 32 N 0.00 0.00 -3.19 -3.53 -2.24 -1.26 -4.90 114.28 99.17 1gqg n THR 32 Ca 0.00 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 1gqg n THR 32 Cb 0.00 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 1gqg n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1gqg s GLN 33 N -2.58 4.30 -0.16 -0.78 -0.21 -0.20 -4.52 119.66 115.51 1gqg s GLN 33 Ca 0.26 0.86 0.00 0.00 0.02 0.00 0.00 55.36 56.49 1gqg s GLN 33 Cb 0.20 -3.23 -0.00 0.00 1.00 0.00 0.00 33.01 30.98 1gqg s GLN 33 CO 0.50 0.61 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.96 1gqg s LEU 34 N -1.16 2.46 -0.09 2.90 0.20 -0.32 -0.90 118.68 121.77 1gqg s LEU 34 Ca 0.31 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 1gqg s LEU 34 Cb -0.20 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 1gqg s LEU 34 CO 0.21 0.08 -0.02 -0.31 -0.29 0.00 0.00 176.35 176.01 1gqg s TYR 35 N 0.87 3.08 -0.02 5.38 1.51 0.31 -1.03 117.35 127.45 1gqg s TYR 35 Ca -0.04 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1gqg s TYR 35 Cb -0.15 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1gqg s TYR 35 CO -0.01 0.38 -0.14 1.03 -1.11 0.00 0.00 175.55 175.69 1gqg s ARG 36 N -0.73 1.26 -0.63 -0.62 0.52 0.30 -2.03 118.95 117.02 1gqg s ARG 36 Ca 0.11 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 54.78 1gqg s ARG 36 Cb -0.11 -1.19 0.16 0.00 0.52 0.00 0.00 34.95 34.33 1gqg s ARG 36 CO 0.02 0.28 0.44 -0.06 0.02 0.00 0.00 175.30 176.01 1gqg s PHE 37 N -0.22 3.40 0.16 -0.53 0.08 -0.25 -0.38 117.98 120.23 1gqg s PHE 37 Ca 0.03 -2.74 -0.05 0.00 0.12 0.00 0.00 56.93 54.29 1gqg s PHE 37 Cb -0.07 -3.19 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1gqg s PHE 37 CO -0.00 -0.83 1.44 1.88 -0.10 0.00 0.00 175.22 177.61 1gqg h TYR 38 N 6.97 0.77 -3.38 0.36 0.05 -1.44 -3.39 116.97 116.91 1gqg h TYR 38 Ca -0.01 -0.30 -0.52 0.00 0.05 0.00 0.00 58.73 57.94 1gqg h TYR 38 Cb 0.95 -0.13 -0.34 0.00 1.01 0.00 0.00 36.73 38.21 1gqg h TYR 38 CO 0.71 1.07 -0.82 0.08 -1.05 0.00 0.00 178.16 178.15 1gqg s VAL 39 N -3.87 1.17 0.52 -2.88 1.01 -0.70 -4.57 120.40 111.09 1gqg s VAL 39 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1gqg s VAL 39 Cb 0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1gqg s VAL 39 CO 0.86 0.37 0.00 0.42 0.00 0.00 0.00 175.10 176.75 1gqg s THR 40 N 0.79 1.03 0.07 3.92 -4.23 -1.26 -0.86 115.64 115.11 1gqg s THR 40 Ca -0.12 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.04 1gqg s THR 40 Cb -0.15 -2.04 -0.18 0.00 1.34 0.00 0.00 72.50 71.47 1gqg s THR 40 CO 0.02 0.00 1.54 1.23 -0.54 0.00 0.00 174.62 176.87 1gqg h GLY 41 N 1.29 -1.28 0.50 3.99 0.00 -1.86 -1.00 103.07 104.71 1gqg h GLY 41 Ca -0.44 0.56 0.10 0.00 0.00 0.00 0.00 47.33 47.56 1gqg h GLY 41 CO 0.73 -0.40 0.53 -2.55 0.00 0.00 0.00 176.54 174.84 1gqg h PRO 42 N -1.07 0.83 0.00 4.80 0.11 -1.90 0.22 132.00 135.00 1gqg h PRO 42 Ca -0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 1gqg h PRO 42 Cb 0.89 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1gqg h PRO 42 CO 0.01 0.55 -0.11 0.66 -0.21 0.00 0.00 178.00 178.90 1gqg h SER 43 N 0.86 0.00 -0.28 -2.05 4.64 -1.48 -3.18 113.55 112.07 1gqg h SER 43 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1gqg h SER 43 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1gqg h SER 43 CO -0.26 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 174.27 1gqg n SER 44 N -3.19 2.71 -2.13 4.97 3.41 -0.39 -4.27 113.62 114.72 1gqg n SER 44 Ca 0.01 -1.91 -0.17 0.00 -0.26 0.00 0.00 58.87 56.54 1gqg n SER 44 Cb 0.44 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1gqg n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqg n GLY 45 N 0.47 -0.33 2.37 5.00 0.00 -0.53 -2.44 105.19 109.74 1gqg n GLY 45 Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1gqg n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqg n TYR 46 N -4.11 0.00 -0.07 1.61 4.01 0.67 -4.91 117.16 114.36 1gqg n TYR 46 Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.45 1gqg n TYR 46 Cb 0.64 -1.66 -0.06 0.00 -0.31 0.00 0.00 39.34 37.95 1gqg n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqg h ALA 47 N 0.00 0.30 -2.18 -0.72 0.00 -1.73 -0.28 119.26 114.65 1gqg h ALA 47 Ca -0.14 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 54.62 1gqg h ALA 47 Cb 0.62 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1gqg h ALA 47 CO 0.21 0.18 0.54 -0.59 0.00 0.00 0.00 179.25 179.59 1gqg s PHE 48 N -4.48 -0.20 -0.03 0.00 -0.12 -1.26 -3.42 117.98 108.46 1gqg s PHE 48 Ca -0.14 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 56.80 1gqg s PHE 48 Cb 0.07 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1gqg s PHE 48 CO 0.77 -0.63 -0.24 0.99 -0.05 0.00 0.00 175.22 176.05 1gqg s THR 49 N -3.09 2.18 -0.19 -4.49 2.01 -0.06 -4.27 115.64 107.73 1gqg s THR 49 Ca 0.10 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.04 1gqg s THR 49 Cb -0.01 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.78 1gqg s THR 49 CO -0.03 0.58 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.20 1gqg s LEU 50 N -0.51 1.95 0.18 4.42 0.20 -0.04 -1.33 118.68 123.55 1gqg s LEU 50 Ca 0.07 -0.85 0.08 0.00 0.69 0.00 0.00 54.13 54.12 1gqg s LEU 50 Cb -0.11 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1gqg s LEU 50 CO 0.00 -0.20 -0.16 0.00 -0.29 0.00 0.00 176.35 175.70 1gqg s MET 51 N 1.54 1.28 -0.06 1.98 0.23 0.02 -1.20 119.30 123.09 1gqg s MET 51 Ca -0.01 -1.48 0.06 0.00 -1.03 0.00 0.00 55.69 53.23 1gqg s MET 51 Cb -0.16 -1.19 -0.01 0.00 -1.53 0.00 0.00 34.83 31.93 1gqg s MET 51 CO -0.07 0.22 -0.24 0.20 -2.03 0.00 0.00 175.02 173.10 1gqg s GLY 52 N -2.95 1.26 -0.19 3.16 0.00 0.48 -0.85 107.32 108.22 1gqg s GLY 52 Ca 0.18 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1gqg s GLY 52 CO 0.06 -0.61 -0.15 -1.59 0.00 0.00 0.00 173.10 170.82 1gqg s THR 53 N -0.13 2.48 -0.09 0.90 2.01 0.76 -0.54 115.64 121.04 1gqg s THR 53 Ca -0.04 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1gqg s THR 53 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1gqg s THR 53 CO 0.04 0.50 -0.05 0.20 -0.69 0.00 0.00 174.62 174.61 1gqg s ASN 54 N 1.35 4.74 -0.06 3.53 -0.87 -0.20 -0.55 114.94 122.88 1gqg s ASN 54 Ca 0.05 -0.03 -0.30 0.00 -1.57 0.00 0.00 52.86 51.02 1gqg s ASN 54 Cb -0.13 -1.34 0.09 0.00 -0.02 0.00 0.00 41.25 39.85 1gqg s ASN 54 CO -0.10 0.32 0.79 0.00 -2.57 0.00 0.00 177.10 175.54 1gqg s ALA 55 N -0.57 -1.81 0.80 0.60 0.00 -0.74 -1.18 121.76 118.86 1gqg s ALA 55 Ca 0.09 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.24 1gqg s ALA 55 Cb -0.12 -0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.03 1gqg s ALA 55 CO 0.02 -0.42 1.13 -1.25 0.00 0.00 0.00 175.76 175.24 1gqg s PRO 56 N -1.62 1.65 0.38 0.00 0.04 -1.26 -2.81 135.00 131.37 1gqg s PRO 56 Ca -0.05 -0.32 -0.27 0.00 0.04 0.00 0.00 61.00 60.40 1gqg s PRO 56 Cb -0.00 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1gqg s PRO 56 CO 0.03 -1.67 1.22 1.58 0.04 0.00 0.00 177.00 178.20 1gqg n HIS 57 N -3.23 1.99 -4.10 0.56 -0.00 -1.19 -4.73 115.22 104.52 1gqg n HIS 57 Ca 0.11 0.55 -0.14 0.00 -0.00 0.00 0.00 57.72 58.23 1gqg n HIS 57 Cb 0.60 -2.36 -0.13 0.00 -0.00 0.00 0.00 29.99 28.10 1gqg n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1gqg s SER 58 N -0.47 0.64 0.00 0.26 0.15 -0.60 -5.00 113.70 108.68 1gqg s SER 58 Ca 0.59 -0.25 0.27 0.00 0.70 0.00 0.00 55.95 57.26 1gqg s SER 58 Cb -0.56 -0.02 0.92 0.00 -1.71 0.00 0.00 66.02 64.65 1gqg s SER 58 CO 0.60 -0.04 1.67 0.47 1.20 0.00 0.00 173.24 177.14 1gqg n ASP 59 N 2.43 0.89 -4.52 5.45 8.00 -1.26 -4.67 116.55 122.87 1gqg n ASP 59 Ca -0.16 -0.84 -0.24 0.00 0.71 0.00 0.00 54.79 54.26 1gqg n ASP 59 Cb 0.57 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 1gqg n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gqg s ALA 60 N -2.46 2.86 0.54 2.24 0.00 -1.26 -5.11 121.76 118.57 1gqg s ALA 60 Ca 0.27 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 50.18 1gqg s ALA 60 Cb 0.20 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 1gqg s ALA 60 CO 0.49 0.26 1.01 1.28 0.00 0.00 0.00 175.76 178.80 1gqg n LEU 61 N -0.70 3.46 0.20 0.00 4.77 -1.26 -4.64 117.00 118.83 1gqg n LEU 61 Ca -0.05 0.90 0.12 0.00 -0.03 0.00 0.00 56.01 56.94 1gqg n LEU 61 Cb 0.60 -1.39 0.19 0.00 -2.33 0.00 0.00 43.42 40.49 1gqg n LEU 61 CO 0.39 -1.62 0.79 1.23 -1.33 0.00 0.00 177.39 176.85 1gqg h GLY 62 N 0.94 0.00 -3.69 -0.72 0.00 -1.05 -3.46 103.07 95.09 1gqg h GLY 62 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1gqg h GLY 62 CO 0.53 0.00 0.13 0.54 0.00 0.00 0.00 176.54 177.75 1gqg s VAL 63 N -3.20 0.01 0.46 4.60 0.11 -1.26 -5.01 120.40 116.12 1gqg s VAL 63 Ca 0.07 -0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1gqg s VAL 63 Cb 0.06 -0.98 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 1gqg s VAL 63 CO 0.67 -0.05 1.06 -0.76 -3.33 0.00 0.00 175.10 172.68 1gqg s LEU 64 N -1.77 3.94 0.25 2.54 1.43 -1.26 -4.60 118.68 119.20 1gqg s LEU 64 Ca -0.07 2.01 -0.31 0.00 -1.03 0.00 0.00 54.13 54.73 1gqg s LEU 64 Cb -0.01 -4.43 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 1gqg s LEU 64 CO 0.01 -0.74 1.37 -2.65 0.23 0.00 0.00 176.35 174.57 1gqg n PRO 65 N -0.69 2.00 -3.93 1.29 -0.02 -1.26 -4.86 135.00 127.53 1gqg n PRO 65 Ca 0.08 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 1gqg n PRO 65 Cb 0.51 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1gqg n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1gqg s HIS 66 N -0.23 0.24 0.13 6.00 -3.43 -0.94 -2.04 115.29 115.01 1gqg s HIS 66 Ca 0.66 -0.68 0.07 0.00 -0.80 0.00 0.00 55.06 54.32 1gqg s HIS 66 Cb -0.65 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1gqg s HIS 66 CO 0.52 -1.22 -0.17 0.42 -2.00 0.00 0.00 174.74 172.29 1gqg s ILE 67 N -3.48 1.59 -0.11 -5.38 1.01 -0.15 -1.59 121.20 113.09 1gqg s ILE 67 Ca 0.18 -1.71 0.03 0.00 0.00 0.00 0.00 60.65 59.16 1gqg s ILE 67 Cb -0.03 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1gqg s ILE 67 CO 0.10 -0.27 -0.23 -1.00 0.00 0.00 0.00 174.94 173.55 1gqg s HIS 68 N -1.78 2.57 -0.23 3.97 3.76 -1.26 -1.60 115.29 120.73 1gqg s HIS 68 Ca 0.10 -1.15 0.20 0.00 -0.15 0.00 0.00 55.06 54.05 1gqg s HIS 68 Cb -0.07 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.92 1gqg s HIS 68 CO 0.05 -0.49 1.14 1.96 -0.85 0.00 0.00 174.74 176.54 1gqg h GLN 69 N 6.96 0.00 0.00 1.40 4.20 -1.96 0.20 115.11 125.91 1gqg h GLN 69 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1gqg h GLN 69 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1gqg h GLN 69 CO 0.50 0.15 0.00 1.63 -0.67 0.00 0.00 178.83 180.44 1gqg n LYS 70 N -2.89 0.64 -4.44 1.46 5.02 -1.26 -4.58 118.16 112.11 1gqg n LYS 70 Ca -0.02 -0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 55.21 1gqg n LYS 70 Cb 0.65 -0.92 -0.13 0.00 -0.02 0.00 0.00 35.03 34.61 1gqg n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1gqg s HIS 71 N -0.37 1.79 -0.19 2.13 3.76 -1.26 -4.38 115.29 116.77 1gqg s HIS 71 Ca 0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1gqg s HIS 71 Cb 0.00 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 1gqg s HIS 71 CO 0.00 0.15 -0.08 -0.47 -0.85 0.00 0.00 174.74 173.49 1gqg s TYR 72 N -1.00 2.90 0.13 1.40 6.14 -0.19 -3.63 117.35 123.11 1gqg s TYR 72 Ca 0.07 -0.94 0.06 0.00 0.64 0.00 0.00 57.07 56.90 1gqg s TYR 72 Cb -0.09 -2.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.23 1gqg s TYR 72 CO 0.03 -0.49 0.02 -1.21 0.64 0.00 0.00 175.55 174.54 1gqg s GLU 73 N 1.16 2.54 -0.08 4.97 8.01 -0.02 -1.97 118.70 133.31 1gqg s GLU 73 Ca 0.02 -0.94 0.00 0.00 0.01 0.00 0.00 54.97 54.06 1gqg s GLU 73 Cb -0.14 -2.49 0.02 0.00 -4.31 0.00 0.00 34.13 27.21 1gqg s GLU 73 CO -0.02 0.50 -0.06 -0.80 0.01 0.00 0.00 175.26 174.89 1gqg s ASN 74 N -2.64 1.66 -0.23 -0.19 0.01 0.02 -0.66 114.94 112.92 1gqg s ASN 74 Ca 0.27 -0.20 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1gqg s ASN 74 Cb -0.11 -0.64 -0.03 0.00 0.41 0.00 0.00 41.25 40.88 1gqg s ASN 74 CO 0.19 -0.10 0.07 -0.36 -1.51 0.00 0.00 177.10 175.40 1gqg s PHE 75 N 1.41 3.15 -0.07 2.20 0.40 0.01 -1.32 117.98 123.75 1gqg s PHE 75 Ca -0.02 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1gqg s PHE 75 Cb -0.13 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.23 1gqg s PHE 75 CO -0.03 -0.15 -0.11 -0.47 0.70 0.00 0.00 175.22 175.15 1gqg s TYR 76 N 1.15 1.47 -0.41 0.36 5.04 0.40 -0.76 117.35 124.60 1gqg s TYR 76 Ca 0.05 -0.58 -0.22 0.00 -2.44 0.00 0.00 57.07 53.88 1gqg s TYR 76 Cb -0.14 -1.10 0.02 0.00 0.35 0.00 0.00 41.96 41.08 1gqg s TYR 76 CO 0.03 -0.32 0.71 0.00 -1.34 0.00 0.00 175.55 174.63 1gqg h ASN 78 N 8.75 0.80 -5.01 0.00 4.21 -1.41 0.30 115.58 123.21 1gqg h ASN 78 Ca -0.25 -0.76 0.05 0.00 1.21 0.00 0.00 56.30 56.55 1gqg h ASN 78 Cb 1.10 -0.25 -0.08 0.00 -1.12 0.00 0.00 38.32 37.97 1gqg h ASN 78 CO 0.90 1.46 0.26 -1.59 -1.29 0.00 0.00 177.43 177.17 1gqg s LYS 79 N -3.22 1.56 4.47 0.81 -2.85 -1.18 -4.49 119.74 114.82 1gqg s LYS 79 Ca -0.11 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 1gqg s LYS 79 Cb 0.06 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 1gqg s LYS 79 CO 0.89 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1gqg n GLY 80 N -0.43 1.09 3.56 0.59 0.00 -1.15 -1.14 105.19 107.71 1gqg n GLY 80 Ca -0.08 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 1gqg n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqg s SER 81 N -4.00 -0.45 -0.04 1.61 1.04 -1.26 -3.43 113.70 107.18 1gqg s SER 81 Ca 0.00 0.47 -0.20 0.00 0.48 0.00 0.00 55.95 56.70 1gqg s SER 81 Cb 0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1gqg s SER 81 CO 0.00 -0.43 0.44 0.72 0.98 0.00 0.00 173.24 174.95 1gqg s PHE 82 N -1.23 -0.36 0.09 5.02 -0.12 -0.72 -1.07 117.98 119.59 1gqg s PHE 82 Ca -0.04 0.61 -0.13 0.00 -0.05 0.00 0.00 56.93 57.32 1gqg s PHE 82 Cb -0.00 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.53 1gqg s PHE 82 CO 0.03 -0.45 0.46 -1.14 -0.05 0.00 0.00 175.22 174.08 1gqg s GLN 83 N -1.17 3.88 -0.04 1.99 0.74 0.36 -0.44 119.66 124.97 1gqg s GLN 83 Ca -0.12 0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.67 1gqg s GLN 83 Cb -0.03 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1gqg s GLN 83 CO 0.06 0.55 -0.13 -1.17 -0.55 0.00 0.00 175.29 174.05 1gqg s LEU 84 N -1.77 1.79 -0.02 3.68 2.96 -0.30 -0.84 118.68 124.17 1gqg s LEU 84 Ca 0.33 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1gqg s LEU 84 Cb -0.15 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1gqg s LEU 84 CO 0.18 0.09 -0.17 0.26 -1.32 0.00 0.00 176.35 175.39 1gqg s TRP 85 N 0.28 2.62 -0.06 5.38 0.51 -0.32 -1.99 118.94 125.36 1gqg s TRP 85 Ca -0.07 -0.22 -0.14 0.00 -2.12 0.00 0.00 56.10 53.55 1gqg s TRP 85 Cb -0.12 -1.56 0.03 0.00 -0.81 0.00 0.00 33.47 31.01 1gqg s TRP 85 CO 0.02 0.18 0.34 0.00 -0.51 0.00 0.00 176.95 176.98 1gqg s ALA 86 N -0.78 -0.85 -0.18 0.98 0.00 0.05 -2.51 121.76 118.47 1gqg s ALA 86 Ca 0.12 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1gqg s ALA 86 Cb -0.11 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1gqg s ALA 86 CO 0.02 -0.23 0.46 -1.14 0.00 0.00 0.00 175.76 174.87 1gqg s GLN 87 N -0.78 0.47 -0.20 0.00 0.74 -0.25 -1.09 119.66 118.55 1gqg s GLN 87 Ca -0.09 0.80 -0.06 0.00 0.05 0.00 0.00 55.36 56.06 1gqg s GLN 87 Cb -0.04 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1gqg s GLN 87 CO 0.03 -0.13 0.04 0.45 -0.55 0.00 0.00 175.29 175.13 1gqg s SER 88 N 1.10 5.19 0.94 6.67 0.15 -1.26 -0.86 113.70 125.63 1gqg s SER 88 Ca -0.07 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1gqg s SER 88 Cb -0.07 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1gqg s SER 88 CO -0.10 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1gqg n GLY 89 N 4.10 3.14 1.10 9.45 0.00 -1.26 -1.05 105.19 120.68 1gqg n GLY 89 Ca -0.17 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1gqg n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gqg n ASN 90 N 4.55 4.04 -4.75 1.61 5.03 -1.26 -5.00 115.26 119.49 1gqg n ASN 90 Ca 0.00 -2.59 -0.31 0.00 0.87 0.00 0.00 54.58 52.55 1gqg n ASN 90 Cb 0.00 -0.49 0.11 0.00 -1.02 0.00 0.00 39.78 38.38 1gqg n ASN 90 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1gqg s GLU 91 N -2.08 1.95 0.23 3.52 2.02 -0.21 -4.90 118.70 119.22 1gqg s GLU 91 Ca 0.41 1.21 -0.32 0.00 0.02 0.00 0.00 54.97 56.29 1gqg s GLU 91 Cb 0.29 -1.86 -0.14 0.00 0.10 0.00 0.00 34.13 32.52 1gqg s GLU 91 CO 0.16 -1.87 1.40 2.41 0.02 0.00 0.00 175.26 177.37 1gqg n THR 92 N -3.68 0.86 -2.11 3.63 -1.04 -1.26 -4.65 114.28 106.03 1gqg n THR 92 Ca 0.09 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 1gqg n THR 92 Cb 0.53 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 1gqg n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1gqg s GLN 93 N -0.30 4.33 0.02 -2.82 0.74 -1.26 -4.79 119.66 115.57 1gqg s GLN 93 Ca 0.70 2.19 0.05 0.00 0.05 0.00 0.00 55.36 58.35 1gqg s GLN 93 Cb -0.67 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 1gqg s GLN 93 CO 0.49 -0.32 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.13 1gqg s GLN 94 N -0.45 2.33 -0.10 1.67 -1.52 -0.25 -4.24 119.66 117.10 1gqg s GLN 94 Ca 0.57 -0.84 -0.12 0.00 -1.95 0.00 0.00 55.36 53.02 1gqg s GLN 94 Cb -0.39 -2.35 0.03 0.00 -0.22 0.00 0.00 33.01 30.07 1gqg s GLN 94 CO 0.42 0.57 0.33 -0.08 -0.25 0.00 0.00 175.29 176.29 1gqg s THR 95 N -0.95 0.01 0.04 -0.19 -1.32 -0.55 -0.77 115.64 111.90 1gqg s THR 95 Ca 0.16 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1gqg s THR 95 Cb -0.11 -0.50 -0.02 0.00 -1.51 0.00 0.00 72.50 70.36 1gqg s THR 95 CO 0.06 -0.05 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.24 1gqg s ARG 96 N -0.10 0.45 -0.38 7.08 1.81 -0.84 -1.94 118.95 125.03 1gqg s ARG 96 Ca -0.03 -0.74 -0.16 0.00 -1.72 0.00 0.00 55.73 53.08 1gqg s ARG 96 Cb -0.03 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.37 1gqg s ARG 96 CO 0.01 -0.00 0.40 0.08 -0.68 0.00 0.00 175.30 175.11 1gqg s VAL 97 N -1.61 5.13 -0.09 3.52 1.01 0.15 -1.15 120.40 127.36 1gqg s VAL 97 Ca -0.11 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1gqg s VAL 97 Cb -0.09 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1gqg s VAL 97 CO -0.01 -0.25 0.56 -0.76 0.00 0.00 0.00 175.10 174.64 1gqg s LEU 98 N 2.08 4.30 0.00 3.92 1.02 0.41 -4.93 118.68 125.49 1gqg s LEU 98 Ca 0.12 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.25 1gqg s LEU 98 Cb -0.17 -2.84 0.01 0.00 0.02 0.00 0.00 46.19 43.21 1gqg s LEU 98 CO 0.13 -0.03 0.06 -1.54 0.02 0.00 0.00 176.35 174.99 1gqg n SER 99 N 3.62 1.54 -4.65 2.29 3.41 -1.26 -1.76 113.62 116.81 1gqg n SER 99 Ca -0.05 -1.37 -0.52 0.00 -0.26 0.00 0.00 58.87 56.66 1gqg n SER 99 Cb 0.51 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1gqg n SER 99 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gqg n SER 100 N -1.77 2.32 0.00 4.04 2.88 -1.22 -1.25 113.62 118.63 1gqg n SER 100 Ca -0.01 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1gqg n SER 100 Cb 0.12 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1gqg n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gqg n GLY 101 N 3.40 1.59 3.83 0.46 0.00 0.11 -4.75 105.19 109.82 1gqg n GLY 101 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1gqg n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 102 N -3.16 5.91 0.01 1.61 1.01 -0.38 -3.96 116.67 117.71 1gqg s ASP 102 Ca 0.00 1.65 0.02 0.00 0.71 0.00 0.00 52.55 54.93 1gqg s ASP 102 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1gqg s ASP 102 CO 0.00 -1.08 -0.06 -0.47 0.21 0.00 0.00 175.17 173.76 1gqg s TYR 103 N -2.77 0.54 -0.05 4.23 5.04 -0.18 -1.61 117.35 122.56 1gqg s TYR 103 Ca 0.60 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1gqg s TYR 103 Cb -0.13 -0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.85 1gqg s TYR 103 CO 0.43 -0.02 -0.07 0.20 -1.34 0.00 0.00 175.55 174.75 1gqg s GLY 104 N -0.42 0.55 -0.19 8.97 0.00 0.06 -1.12 107.32 115.17 1gqg s GLY 104 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.48 1gqg s GLY 104 CO -0.00 0.30 0.05 -0.45 0.00 0.00 0.00 173.10 173.00 1gqg s SER 105 N 0.77 5.47 -0.47 1.64 0.15 0.90 -0.81 113.70 121.34 1gqg s SER 105 Ca -0.12 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1gqg s SER 105 Cb -0.14 -1.94 0.14 0.00 -1.71 0.00 0.00 66.02 62.37 1gqg s SER 105 CO 0.01 0.14 0.28 -0.69 1.20 0.00 0.00 173.24 174.18 1gqg s VAL 106 N 0.56 1.54 1.20 4.45 1.01 0.17 -2.82 120.40 126.51 1gqg s VAL 106 Ca 0.03 -2.80 -0.14 0.00 0.00 0.00 0.00 61.98 59.07 1gqg s VAL 106 Cb -0.13 -2.07 0.30 0.00 0.00 0.00 0.00 36.38 34.48 1gqg s VAL 106 CO 0.01 -0.93 1.01 -2.84 0.00 0.00 0.00 175.10 172.35 1gqg s PRO 107 N 0.09 -1.22 0.59 2.72 0.02 -1.26 -0.84 135.00 135.09 1gqg s PRO 107 Ca 0.20 0.75 -0.19 0.00 0.02 0.00 0.00 61.00 61.78 1gqg s PRO 107 Cb -0.20 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.76 1gqg s PRO 107 CO -0.03 -3.90 1.17 0.54 -0.33 0.00 0.00 177.00 174.44 1gqg n ARG 108 N -5.03 1.19 -3.22 5.54 1.74 -1.24 -2.99 116.66 112.66 1gqg n ARG 108 Ca 0.03 0.45 -0.21 0.00 -0.77 0.00 0.00 57.85 57.35 1gqg n ARG 108 Cb 0.55 -2.38 0.05 0.00 -1.02 0.00 0.00 32.46 29.66 1gqg n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1gqg n ASN 109 N -1.10 -5.94 -4.11 0.55 3.02 0.06 -4.94 115.26 102.80 1gqg n ASN 109 Ca 0.13 -0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 53.99 1gqg n ASN 109 Cb 0.46 -4.67 -0.16 0.00 -0.61 0.00 0.00 39.78 34.80 1gqg n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gqg s VAL 110 N -3.21 1.96 0.27 2.41 1.01 -1.16 -4.52 120.40 117.15 1gqg s VAL 110 Ca 0.40 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1gqg s VAL 110 Cb -0.18 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 1gqg s VAL 110 CO 0.50 0.52 1.34 -0.89 0.00 0.00 0.00 175.10 176.57 1gqg s THR 111 N 1.24 2.87 0.17 3.92 2.01 -0.04 -4.56 115.64 121.26 1gqg s THR 111 Ca 0.03 0.78 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 1gqg s THR 111 Cb -0.13 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1gqg s THR 111 CO -0.11 0.15 0.45 -1.38 -0.69 0.00 0.00 174.62 173.04 1gqg s HIS 112 N -0.43 -0.04 0.22 4.92 -3.43 -0.62 -1.09 115.29 114.81 1gqg s HIS 112 Ca 0.54 -0.30 -0.23 0.00 -0.80 0.00 0.00 55.06 54.27 1gqg s HIS 112 Cb -0.39 0.27 0.04 0.00 -1.43 0.00 0.00 32.58 31.07 1gqg s HIS 112 CO 0.45 -0.83 0.81 -0.08 -2.00 0.00 0.00 174.74 173.09 1gqg s THR 113 N -3.87 0.00 0.12 -5.38 -1.32 -1.04 -2.22 115.64 101.92 1gqg s THR 113 Ca 0.09 -0.79 -0.04 0.00 -1.21 0.00 0.00 61.69 59.74 1gqg s THR 113 Cb 0.01 -1.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.06 1gqg s THR 113 CO -0.05 0.00 0.12 0.72 -2.21 0.00 0.00 174.62 173.20 1gqg s PHE 114 N -3.65 0.59 -0.08 9.09 -0.71 -1.26 -1.17 117.98 120.79 1gqg s PHE 114 Ca 0.11 -1.00 -0.03 0.00 -1.04 0.00 0.00 56.93 54.97 1gqg s PHE 114 Cb -0.04 -0.30 0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1gqg s PHE 114 CO 0.04 -0.55 0.16 -1.14 -1.34 0.00 0.00 175.22 172.38 1gqg s GLN 115 N -3.98 0.07 -0.01 1.99 0.74 -0.02 -0.32 119.66 118.12 1gqg s GLN 115 Ca 0.17 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 55.76 1gqg s GLN 115 Cb 0.06 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 1gqg s GLN 115 CO -0.02 -0.24 1.17 0.42 -0.55 0.00 0.00 175.29 176.07 1gqg s ILE 116 N 1.75 4.27 -0.26 -2.34 -1.09 -1.26 -0.49 121.20 121.77 1gqg s ILE 116 Ca -0.03 1.61 -0.11 0.00 -2.23 0.00 0.00 60.65 59.88 1gqg s ILE 116 Cb -0.12 -4.03 -0.12 0.00 -1.58 0.00 0.00 42.46 36.61 1gqg s ILE 116 CO -0.06 0.06 -0.32 1.67 -1.23 0.00 0.00 174.94 175.06 1gqg n GLN 117 N 4.57 0.56 -3.61 2.79 7.27 -0.24 -1.56 117.38 127.16 1gqg n GLN 117 Ca 0.10 0.23 -0.28 0.00 0.07 0.00 0.00 57.00 57.11 1gqg n GLN 117 Cb 0.47 -1.43 -0.03 0.00 2.41 0.00 0.00 30.24 31.65 1gqg n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1gqg s ASP 118 N -7.24 6.42 0.29 1.69 1.01 -1.09 -4.35 116.67 113.39 1gqg s ASP 118 Ca -0.36 0.51 -0.01 0.00 0.71 0.00 0.00 52.55 53.40 1gqg s ASP 118 Cb 0.13 -2.05 0.48 0.00 1.01 0.00 0.00 42.92 42.48 1gqg s ASP 118 CO 0.47 -0.06 1.90 -0.65 0.21 0.00 0.00 175.17 177.04 1gqg h PRO 119 N 2.09 1.07 -2.39 8.23 0.11 -1.89 -3.15 132.00 136.07 1gqg h PRO 119 Ca -0.47 -0.06 -0.69 0.00 0.11 0.00 0.00 66.00 64.88 1gqg h PRO 119 Cb 1.19 -0.24 -0.36 0.00 0.11 0.00 0.00 31.00 31.70 1gqg h PRO 119 CO 0.68 0.71 0.05 -3.47 -0.21 0.00 0.00 178.00 175.76 1gqg n ASP 120 N -4.49 5.32 -4.80 -2.05 2.03 -1.26 -4.02 116.55 107.28 1gqg n ASP 120 Ca 0.14 -3.56 -0.37 0.00 0.52 0.00 0.00 54.79 51.53 1gqg n ASP 120 Cb 0.19 -0.88 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 1gqg n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1gqg s THR 121 N -3.49 5.28 -0.07 5.18 2.01 -1.12 -2.92 115.64 120.50 1gqg s THR 121 Ca 0.40 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1gqg s THR 121 Cb 0.17 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1gqg s THR 121 CO -0.04 0.51 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.63 1gqg s GLU 122 N -0.38 1.18 -0.22 4.92 2.12 -0.29 -1.80 118.70 124.23 1gqg s GLU 122 Ca 0.18 -0.18 -0.00 0.00 0.36 0.00 0.00 54.97 55.32 1gqg s GLU 122 Cb -0.14 -1.17 0.02 0.00 0.26 0.00 0.00 34.13 33.10 1gqg s GLU 122 CO 0.06 -0.13 -0.13 1.41 -0.54 0.00 0.00 175.26 175.94 1gqg s MET 123 N 1.19 2.91 -0.18 4.30 -2.45 0.28 -1.04 119.30 124.32 1gqg s MET 123 Ca -0.06 -0.90 -0.15 0.00 -1.25 0.00 0.00 55.69 53.32 1gqg s MET 123 Cb -0.14 -2.79 -0.04 0.00 1.25 0.00 0.00 34.83 33.10 1gqg s MET 123 CO -0.02 -0.31 0.37 0.99 1.05 0.00 0.00 175.02 177.11 1gqg s THR 124 N 1.31 5.23 -0.15 10.11 2.01 0.13 -0.17 115.64 134.11 1gqg s THR 124 Ca 0.02 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 1gqg s THR 124 Cb -0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1gqg s THR 124 CO -0.08 0.31 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.20 1gqg s GLY 125 N 0.81 1.54 -0.21 4.40 0.00 -0.03 -0.45 107.32 113.38 1gqg s GLY 125 Ca 0.19 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 1gqg s GLY 125 CO 0.07 -0.05 -0.10 0.14 0.00 0.00 0.00 173.10 173.16 1gqg s VAL 126 N 0.61 2.85 -0.04 1.40 1.01 -0.44 -0.80 120.40 124.99 1gqg s VAL 126 Ca -0.07 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1gqg s VAL 126 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1gqg s VAL 126 CO 0.03 0.44 -0.23 -0.63 0.00 0.00 0.00 175.10 174.71 1gqg s ILE 127 N 1.40 1.84 -0.06 2.22 1.09 -0.44 -0.80 121.20 126.44 1gqg s ILE 127 Ca 0.05 -0.96 0.02 0.00 -1.10 0.00 0.00 60.65 58.66 1gqg s ILE 127 Cb -0.14 -1.55 0.01 0.00 -1.06 0.00 0.00 42.46 39.72 1gqg s ILE 127 CO -0.07 0.52 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.49 1gqg s VAL 128 N -0.20 1.03 0.75 2.92 1.01 -0.83 -0.88 120.40 124.19 1gqg s VAL 128 Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1gqg s VAL 128 Cb -0.12 -0.95 0.17 0.00 0.00 0.00 0.00 36.38 35.48 1gqg s VAL 128 CO 0.02 0.33 1.01 -0.81 0.00 0.00 0.00 175.10 175.66 1gqg n PRO 129 N 3.85 -0.96 -1.81 2.72 -0.04 -1.26 -1.02 135.00 136.48 1gqg n PRO 129 Ca -0.23 -1.60 -0.30 0.00 -0.04 0.00 0.00 63.50 61.32 1gqg n PRO 129 Cb 0.52 -1.03 0.04 0.00 -0.04 0.00 0.00 33.50 32.98 1gqg n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1gqg s GLY 130 N -5.21 1.64 0.00 0.55 0.00 -0.12 -4.41 107.32 99.78 1gqg s GLY 130 Ca 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1gqg s GLY 130 CO 0.40 0.14 0.00 0.61 0.00 0.00 0.00 173.10 174.26 1gqg n GLY 131 N -2.70 0.40 0.30 0.20 0.00 -1.26 -4.75 105.19 97.37 1gqg n GLY 131 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1gqg n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gqg h PHE 132 N 0.00 0.00 0.00 1.61 3.57 -1.95 -2.83 116.94 117.34 1gqg h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gqg h PHE 132 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1gqg h PHE 132 CO 0.00 0.01 0.12 1.05 -2.23 0.00 0.00 178.31 177.27 1gqg h GLU 133 N 0.00 0.00 -0.56 1.11 9.09 -1.95 -1.78 114.58 120.49 1gqg h GLU 133 Ca -0.00 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 1gqg h GLU 133 Cb 0.04 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.10 1gqg h GLU 133 CO 0.00 0.00 0.38 -0.44 0.05 0.00 0.00 179.01 179.00 1gqg h ASP 134 N 0.00 0.30 -1.00 3.06 3.32 -1.93 0.12 116.42 120.29 1gqg h ASP 134 Ca 0.00 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1gqg h ASP 134 Cb 0.25 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1gqg h ASP 134 CO 0.00 0.18 0.65 0.25 -1.72 0.00 0.00 179.24 178.60 1gqg h LEU 135 N 0.33 1.08 -0.33 1.55 5.85 -1.59 -0.79 115.31 121.40 1gqg h LEU 135 Ca 0.26 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 1gqg h LEU 135 Cb 0.58 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1gqg h LEU 135 CO -0.06 0.73 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.66 1gqg h PHE 136 N 1.24 0.21 -0.54 1.25 0.04 -0.98 -1.07 116.94 117.09 1gqg h PHE 136 Ca 0.41 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 1gqg h PHE 136 Cb 0.04 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1gqg h PHE 136 CO -0.00 0.92 0.25 1.88 -0.60 0.00 0.00 178.31 180.75 1gqg h TYR 137 N 0.08 0.80 0.23 -0.55 0.05 -0.87 0.83 116.97 117.54 1gqg h TYR 137 Ca -0.03 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1gqg h TYR 137 Cb 1.46 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1gqg h TYR 137 CO 0.02 0.63 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.73 1gqg h TYR 138 N 0.73 -0.29 0.00 4.88 3.20 -0.82 -3.12 116.97 121.55 1gqg h TYR 138 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1gqg h TYR 138 Cb 0.15 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1gqg h TYR 138 CO 0.00 -0.03 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.29 1gqg h LEU 139 N -0.51 0.00-10.50 2.82 3.38 -1.24 -3.46 115.31 105.79 1gqg h LEU 139 Ca -0.03 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.46 1gqg h LEU 139 Cb 0.38 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.20 1gqg h LEU 139 CO 0.05 0.01 0.21 -0.83 0.09 0.00 0.00 178.44 177.97 1gqg s GLY 140 N -3.99 1.65 -0.13 0.83 0.00 0.28 -4.88 107.32 101.08 1gqg s GLY 140 Ca 0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1gqg s GLY 140 CO 0.66 -0.46 -0.09 -1.59 0.00 0.00 0.00 173.10 171.62 1gqg s THR 141 N -3.13 3.41 0.49 0.90 2.01 -0.10 -4.90 115.64 114.32 1gqg s THR 141 Ca 0.57 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 1gqg s THR 141 Cb -0.11 -2.44 -0.08 0.00 0.01 0.00 0.00 72.50 69.88 1gqg s THR 141 CO 0.45 0.53 1.05 -0.46 -0.69 0.00 0.00 174.62 175.50 1gqg n ASN 142 N 3.30 1.37 -3.85 3.53 6.94 -1.26 -0.61 115.26 124.67 1gqg n ASN 142 Ca -0.18 0.96 -0.27 0.00 -0.02 0.00 0.00 54.58 55.07 1gqg n ASN 142 Cb 0.53 -1.40 -0.17 0.00 -2.36 0.00 0.00 39.78 36.37 1gqg n ASN 142 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqg s ALA 143 N -1.36 1.22 0.11 -2.53 0.00 -0.57 -4.72 121.76 113.92 1gqg s ALA 143 Ca 0.68 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1gqg s ALA 143 Cb -0.49 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 1gqg s ALA 143 CO 0.53 -0.64 1.48 1.15 0.00 0.00 0.00 175.76 178.28 1gqg h THR 144 N 6.32 1.29 -6.88 0.00 2.02 -1.94 -3.41 112.91 110.31 1gqg h THR 144 Ca -0.24 -1.33 -0.55 0.00 0.77 0.00 0.00 66.41 65.06 1gqg h THR 144 Cb 1.12 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1gqg h THR 144 CO 0.37 0.43 -1.06 -0.67 0.37 0.00 0.00 175.52 174.96 1gqg n ASP 145 N -4.29 -4.39 -0.24 4.18 -0.08 -1.26 -4.84 116.55 105.63 1gqg n ASP 145 Ca -0.02 -1.15 0.03 0.00 -1.51 0.00 0.00 54.79 52.14 1gqg n ASP 145 Cb 0.42 -1.57 0.16 0.00 2.34 0.00 0.00 41.12 42.47 1gqg n ASP 145 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1gqg h THR 146 N -1.49 0.73 0.00 5.18 2.02 -1.99 -1.42 112.91 115.95 1gqg h THR 146 Ca -0.68 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1gqg h THR 146 Cb 1.40 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1gqg h THR 146 CO 0.44 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.77 1gqg n THR 147 N -4.96 0.01 -2.40 3.16 -2.24 -1.26 -4.91 114.28 101.68 1gqg n THR 147 Ca 0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.70 1gqg n THR 147 Cb 0.35 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.05 1gqg n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqg n HIS 148 N -1.08 -1.01 -1.97 4.78 -0.00 -0.54 -4.96 115.22 110.45 1gqg n HIS 148 Ca 0.21 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.52 1gqg n HIS 148 Cb 0.14 -3.97 -0.01 0.00 -0.00 0.00 0.00 29.99 26.15 1gqg n HIS 148 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1gqg s THR 149 N -3.04 2.45 0.21 1.59 -1.32 -1.26 -4.90 115.64 109.37 1gqg s THR 149 Ca 0.00 0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 60.82 1gqg s THR 149 Cb -0.00 -3.27 0.18 0.00 -1.51 0.00 0.00 72.50 67.89 1gqg s THR 149 CO 0.00 0.09 1.70 -0.65 -2.21 0.00 0.00 174.62 173.55 1gqg h PRO 150 N 3.69 0.24 -4.06 7.08 0.11 -1.95 -3.43 132.00 133.68 1gqg h PRO 150 Ca -0.49 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1gqg h PRO 150 Cb 1.23 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1gqg h PRO 150 CO 0.68 0.16 -0.46 1.52 -0.21 0.00 0.00 178.00 179.69 1gqg s TYR 151 N -6.10 0.49 -0.19 0.65 -0.85 -1.26 -4.66 117.35 105.43 1gqg s TYR 151 Ca -0.13 -0.89 -0.29 0.00 -0.52 0.00 0.00 57.07 55.24 1gqg s TYR 151 Cb 0.18 -0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.31 1gqg s TYR 151 CO 0.74 -0.60 1.11 0.42 -1.52 0.00 0.00 175.55 175.70 1gqg s ILE 152 N -3.97 4.56 0.33 -3.49 -1.09 -1.26 -4.98 121.20 111.30 1gqg s ILE 152 Ca 0.16 1.87 -0.29 0.00 -2.23 0.00 0.00 60.65 60.16 1gqg s ILE 152 Cb 0.05 -4.21 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 1gqg s ILE 152 CO -0.03 -0.14 1.56 -2.65 -1.23 0.00 0.00 174.94 172.45 1gqg n PRO 153 N 6.23 2.72 0.00 2.79 -0.02 -1.26 -4.95 135.00 140.50 1gqg n PRO 153 Ca 0.12 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1gqg n PRO 153 Cb 0.46 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1gqg n PRO 153 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gqg n SER 154 N 1.51 0.00 -0.01 2.55 7.64 -1.26 -5.22 113.62 118.83 1gqg n SER 154 Ca 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 1gqg n SER 154 Cb 0.38 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1gqg n SER 154 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1gqg n SER 155 N 0.00 4.03 0.00 6.43 3.41 -1.26 -5.17 113.62 121.06 1gqg n SER 155 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1gqg n SER 155 Cb 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1gqg n SER 155 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gqg n SER 170 N -2.36 0.00 -1.71 4.04 3.41 -1.26 -5.03 113.62 110.71 1gqg n SER 170 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1gqg n SER 170 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1gqg n SER 170 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gqg n THR 171 N 9.00 1.13 -1.08 6.66 -2.24 -1.26 -4.83 114.28 121.66 1gqg n THR 171 Ca 0.00 -2.39 -0.05 0.00 -2.27 0.00 0.00 64.05 59.33 1gqg n THR 171 Cb 0.00 0.52 0.29 0.00 -2.10 0.00 0.00 70.33 69.05 1gqg n THR 171 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gqg n LEU 172 N -0.29 5.85 0.18 3.22 4.77 -1.26 -4.56 117.00 124.91 1gqg n LEU 172 Ca 0.14 -3.26 0.08 0.00 -0.03 0.00 0.00 56.01 52.94 1gqg n LEU 172 Cb 0.94 -0.73 0.60 0.00 -2.33 0.00 0.00 43.42 41.90 1gqg n LEU 172 CO 0.05 0.84 1.10 1.56 -1.33 0.00 0.00 177.39 179.61 1gqg h GLN 173 N 2.44 0.12 0.00 3.23 7.50 -1.86 -0.81 115.11 125.73 1gqg h GLN 173 Ca 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.39 1gqg h GLN 173 Cb 2.25 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 29.76 1gqg h GLN 173 CO 0.70 0.08 -0.06 1.03 -1.50 0.00 0.00 178.83 179.07 1gqg h SER 174 N 0.12 0.00 -0.59 1.46 0.87 -1.87 -1.16 113.55 112.39 1gqg h SER 174 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1gqg h SER 174 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1gqg h SER 174 CO -0.01 0.06 0.00 0.49 -0.53 0.00 0.00 176.83 176.84 1gqg n PHE 175 N -4.06 1.10 -3.29 2.24 3.72 -0.34 -4.92 117.46 111.91 1gqg n PHE 175 Ca -0.03 -0.47 -0.17 0.00 -0.05 0.00 0.00 57.45 56.73 1gqg n PHE 175 Cb 0.15 -0.13 0.07 0.00 -0.94 0.00 0.00 39.48 38.63 1gqg n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gqg n ASP 176 N 1.12 -4.31 -4.01 4.37 2.03 -0.44 -4.91 116.55 110.39 1gqg n ASP 176 Ca 0.22 -0.45 -0.30 0.00 0.52 0.00 0.00 54.79 54.78 1gqg n ASP 176 Cb 0.68 -4.12 -0.16 0.00 -0.72 0.00 0.00 41.12 36.79 1gqg n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1gqg s VAL 177 N -3.26 1.55 -0.17 5.18 1.01 -1.01 -4.30 120.40 119.40 1gqg s VAL 177 Ca 0.31 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1gqg s VAL 177 Cb -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1gqg s VAL 177 CO 0.58 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.63 1gqg s TYR 178 N 1.49 2.69 0.53 5.22 1.51 -0.63 -3.09 117.35 125.08 1gqg s TYR 178 Ca 0.05 -1.56 -0.21 0.00 -1.01 0.00 0.00 57.07 54.34 1gqg s TYR 178 Cb -0.13 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 1gqg s TYR 178 CO -0.11 -0.77 1.27 0.00 -1.11 0.00 0.00 175.55 174.84 1gqg s ALA 179 N 1.25 2.80 -0.55 3.71 0.00 -1.26 -0.97 121.76 126.73 1gqg s ALA 179 Ca 0.03 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.21 1gqg s ALA 179 Cb -0.13 -3.49 0.21 0.00 0.00 0.00 0.00 23.12 19.71 1gqg s ALA 179 CO -0.11 -1.14 0.55 0.39 0.00 0.00 0.00 175.76 175.46 1gqg n GLU 180 N -1.00 1.48 0.28 0.00 -0.58 -0.87 -4.83 120.64 115.12 1gqg n GLU 180 Ca 0.10 -4.00 0.14 0.00 -0.42 0.00 0.00 57.16 52.98 1gqg n GLU 180 Cb 0.47 -1.90 0.80 0.00 -0.57 0.00 0.00 31.44 30.24 1gqg n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1gqg h LEU 181 N 4.71 0.00 0.00 -4.62 -0.00 -1.94 -2.43 115.31 111.03 1gqg h LEU 181 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1gqg h LEU 181 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1gqg h LEU 181 CO 0.63 0.08 -0.26 -1.54 -0.00 0.00 0.00 178.44 177.34 1gqg n SER 182 N -3.68 0.35 -4.70 -0.43 3.41 -1.26 -4.88 113.62 102.43 1gqg n SER 182 Ca -0.02 0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 1gqg n SER 182 Cb 0.18 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1gqg n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1gqg s PHE 183 N -3.03 2.90 -0.32 7.33 5.36 -0.92 -5.00 117.98 124.30 1gqg s PHE 183 Ca 0.12 0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 56.79 1gqg s PHE 183 Cb 0.17 -3.78 0.07 0.00 -0.34 0.00 0.00 43.02 39.14 1gqg s PHE 183 CO 0.62 -2.91 0.02 0.99 -1.46 0.00 0.00 175.22 172.49 1gqg s THR 184 N 1.89 2.85 0.14 0.12 2.01 -1.26 -4.94 115.64 116.45 1gqg s THR 184 Ca 0.67 -1.62 -0.33 0.00 0.31 0.00 0.00 61.69 60.72 1gqg s THR 184 Cb -0.37 -2.74 -0.13 0.00 0.01 0.00 0.00 72.50 69.27 1gqg s THR 184 CO 0.30 -0.24 1.69 -2.65 -0.69 0.00 0.00 174.62 173.03 1gqg n PRO 185 N 4.56 2.41 -2.15 4.92 -0.02 -1.26 -4.92 135.00 138.53 1gqg n PRO 185 Ca -0.10 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 61.91 1gqg n PRO 185 Cb 0.43 -2.69 0.01 0.00 -0.02 0.00 0.00 33.50 31.23 1gqg n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1gqg s ARG 186 N 1.60 3.23 -0.19 -0.52 1.70 -1.26 -4.96 118.95 118.55 1gqg s ARG 186 Ca 0.80 1.60 0.15 0.00 -0.47 0.00 0.00 55.73 57.81 1gqg s ARG 186 Cb -0.61 -1.99 0.45 0.00 -0.57 0.00 0.00 34.95 32.23 1gqg s ARG 186 CO 0.38 -0.95 1.19 0.25 -1.08 0.00 0.00 175.30 175.09 1gqg n THR 187 N -1.51 1.67 -1.45 4.99 -2.24 -1.26 -4.73 114.28 109.75 1gqg n THR 187 Ca 0.12 -2.95 -0.11 0.00 -2.27 0.00 0.00 64.05 58.84 1gqg n THR 187 Cb 0.51 0.03 0.18 0.00 -2.10 0.00 0.00 70.33 68.95 1gqg n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gqg n ASP 188 N -0.58 3.12 -4.75 3.42 5.75 -1.26 -5.02 116.55 117.22 1gqg n ASP 188 Ca 0.21 -3.76 -0.41 0.00 -0.01 0.00 0.00 54.79 50.81 1gqg n ASP 188 Cb 0.88 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1gqg n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1gqg s THR 189 N -3.43 2.63 -0.03 2.12 2.01 -1.26 -4.81 115.64 112.86 1gqg s THR 189 Ca 0.49 0.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.02 1gqg s THR 189 Cb 0.43 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.62 1gqg s THR 189 CO 0.02 0.09 0.01 -0.69 -0.69 0.00 0.00 174.62 173.36 1gqg s VAL 190 N -0.15 0.16 -1.57 3.82 1.01 -0.96 -4.84 120.40 117.88 1gqg s VAL 190 Ca 0.58 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1gqg s VAL 190 Cb -0.42 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1gqg s VAL 190 CO 0.45 0.16 0.60 0.59 0.00 0.00 0.00 175.10 176.90 1gqg n ASN 191 N 4.36 -6.12 -0.12 3.32 3.02 -1.26 -2.59 115.26 115.87 1gqg n ASN 191 Ca -0.22 -0.29 -0.02 0.00 -0.03 0.00 0.00 54.58 54.03 1gqg n ASN 191 Cb 0.50 -4.95 -0.01 0.00 -0.61 0.00 0.00 39.78 34.72 1gqg n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gqg n GLY 192 N -1.52 0.52 3.31 7.41 0.00 -1.26 -4.96 105.19 108.69 1gqg n GLY 192 Ca -0.11 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1gqg n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqg s THR 193 N -1.97 0.06 -0.06 2.61 -1.32 -1.07 -0.67 115.64 113.22 1gqg s THR 193 Ca 0.00 -0.49 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 1gqg s THR 193 Cb 0.00 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.10 1gqg s THR 193 CO 0.00 -0.27 0.60 0.00 -2.21 0.00 0.00 174.62 172.74 1gqg s ALA 194 N -2.49 -1.55 1.18 11.08 0.00 -0.82 -2.25 121.76 126.91 1gqg s ALA 194 Ca -0.05 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1gqg s ALA 194 Cb -0.01 -0.07 0.28 0.00 0.00 0.00 0.00 23.12 23.32 1gqg s ALA 194 CO -0.03 -0.34 1.13 -1.25 0.00 0.00 0.00 175.76 175.28 1gqg s PRO 195 N -1.09 -1.06 0.40 0.00 0.04 -1.26 -1.48 135.00 130.54 1gqg s PRO 195 Ca -0.11 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 60.91 1gqg s PRO 195 Cb -0.01 -1.62 0.88 0.00 0.04 0.00 0.00 34.50 33.79 1gqg s PRO 195 CO 0.08 -3.60 1.99 0.00 0.04 0.00 0.00 177.00 175.52 1gqg h ALA 196 N -2.50 1.82 -0.65 8.56 0.00 -1.92 -3.16 119.26 121.41 1gqg h ALA 196 Ca -0.45 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 1gqg h ALA 196 Cb 1.29 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1gqg h ALA 196 CO 0.34 0.09 1.42 0.27 0.00 0.00 0.00 179.25 181.37 1gqg n ASN 197 N -4.47 7.32 -4.41 0.00 6.94 -1.26 -4.87 115.26 114.51 1gqg n ASN 197 Ca 0.08 -3.23 -0.20 0.00 -0.02 0.00 0.00 54.58 51.21 1gqg n ASN 197 Cb 0.23 -1.28 -0.10 0.00 -2.36 0.00 0.00 39.78 36.27 1gqg n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gqg s THR 198 N -1.98 1.21 -0.17 5.53 -4.23 -1.20 -5.14 115.64 109.66 1gqg s THR 198 Ca 0.55 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1gqg s THR 198 Cb 0.28 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1gqg s THR 198 CO -0.16 -0.15 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.90 1gqg s VAL 199 N -3.29 2.33 -0.24 2.29 1.01 -1.26 -5.07 120.40 116.17 1gqg s VAL 199 Ca 0.33 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1gqg s VAL 199 Cb 0.07 -1.99 0.11 0.00 0.00 0.00 0.00 36.38 34.57 1gqg s VAL 199 CO 0.13 0.52 0.24 0.86 0.00 0.00 0.00 175.10 176.85 1gqg s TRP 200 N 1.15 -0.28 -0.86 5.22 -0.00 -1.26 -4.83 118.94 118.08 1gqg s TRP 200 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.10 1gqg s TRP 200 Cb -0.14 -0.45 0.00 0.00 -0.00 0.00 0.00 33.47 32.88 1gqg s TRP 200 CO -0.08 -0.73 0.00 0.72 -0.00 0.00 0.00 176.95 176.86 1gqg n HIS 201 N 5.31 0.00 -0.22 5.86 8.25 -1.26 -4.81 115.22 128.35 1gqg n HIS 201 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1gqg n HIS 201 Cb 0.48 -1.99 0.00 0.00 1.12 0.00 0.00 29.99 29.60 1gqg n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gqg n THR 202 N -2.50 0.00 -0.23 1.59 -2.24 -1.26 -5.10 114.28 104.54 1gqg n THR 202 Ca -0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1gqg n THR 202 Cb 0.40 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1gqg n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqg n GLY 203 N 0.08 -1.15 3.77 3.38 0.00 -1.26 -5.13 105.19 104.88 1gqg n GLY 203 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1gqg n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqg s ALA 204 N -1.92 2.82 0.02 4.61 0.00 -1.26 -4.77 121.76 121.26 1gqg s ALA 204 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1gqg s ALA 204 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1gqg s ALA 204 CO 0.00 -0.72 -0.19 -0.80 0.00 0.00 0.00 175.76 174.05 1gqg s ASN 205 N -1.58 3.73 0.16 0.00 0.02 -0.29 -4.95 114.94 112.03 1gqg s ASN 205 Ca 0.69 -0.40 0.07 0.00 -1.02 0.00 0.00 52.86 52.19 1gqg s ASN 205 Cb -0.26 -0.60 -0.04 0.00 0.02 0.00 0.00 41.25 40.37 1gqg s ASN 205 CO 0.30 0.28 -0.02 0.00 0.02 0.00 0.00 177.10 177.68 1gqg s ALA 206 N -0.86 3.15 0.46 0.60 0.00 -1.26 -4.01 121.76 119.84 1gqg s ALA 206 Ca 0.14 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 1gqg s ALA 206 Cb -0.10 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 1gqg s ALA 206 CO 0.04 0.52 1.12 -0.51 0.00 0.00 0.00 175.76 176.92 1gqg s LEU 207 N -2.79 4.00 0.26 0.00 1.02 -1.26 -4.82 118.68 115.09 1gqg s LEU 207 Ca 0.26 2.18 -0.31 0.00 0.02 0.00 0.00 54.13 56.28 1gqg s LEU 207 Cb -0.10 -4.30 -0.11 0.00 0.02 0.00 0.00 46.19 41.70 1gqg s LEU 207 CO 0.18 -0.83 1.63 0.00 0.02 0.00 0.00 176.35 177.35 1gqg s ALA 208 N -1.65 3.80 -0.26 4.21 0.00 -1.26 -4.88 121.76 121.72 1gqg s ALA 208 Ca 0.64 1.56 0.21 0.00 0.00 0.00 0.00 51.96 54.37 1gqg s ALA 208 Cb -0.25 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 19.28 1gqg s ALA 208 CO 0.30 -0.95 1.17 0.66 0.00 0.00 0.00 175.76 176.94 1gqg h SER 209 N 5.52 0.00 -3.42 0.00 4.64 -1.97 -3.44 113.55 114.88 1gqg h SER 209 Ca -0.46 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.26 1gqg h SER 209 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1gqg h SER 209 CO 0.85 0.12 0.26 -0.89 -0.87 0.00 0.00 176.83 176.29 1gqg s THR 210 N -3.24 4.94 0.47 2.95 2.01 -1.26 -4.96 115.64 116.55 1gqg s THR 210 Ca 0.01 1.26 -0.22 0.00 0.31 0.00 0.00 61.69 63.05 1gqg s THR 210 Cb 0.08 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1gqg s THR 210 CO 0.76 -0.00 1.16 0.00 -0.69 0.00 0.00 174.62 175.85 1gqg s ALA 211 N 2.61 2.94 0.00 7.40 0.00 -1.26 -2.97 121.76 130.48 1gqg s ALA 211 Ca 0.29 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1gqg s ALA 211 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1gqg s ALA 211 CO 0.08 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1gqg n GLY 212 N 0.42 1.50 3.83 0.00 0.00 -1.26 -5.04 105.19 104.63 1gqg n GLY 212 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1gqg n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 213 N -3.13 6.85 0.64 1.61 1.11 -1.16 -4.74 116.67 117.84 1gqg s ASP 213 Ca 0.00 1.01 -0.14 0.00 0.18 0.00 0.00 52.55 53.60 1gqg s ASP 213 Cb 0.00 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 1gqg s ASP 213 CO 0.00 0.31 1.06 -2.16 1.18 0.00 0.00 175.17 175.56 1gqg s PRO 214 N -1.04 3.13 0.18 8.23 0.04 -1.26 -4.68 135.00 139.60 1gqg s PRO 214 Ca 0.25 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1gqg s PRO 214 Cb -0.17 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1gqg s PRO 214 CO 0.14 -0.95 0.58 1.52 0.04 0.00 0.00 177.00 178.33 1gqg s TYR 215 N -2.68 -0.37 0.01 0.56 1.13 -1.13 -4.91 117.35 109.97 1gqg s TYR 215 Ca 0.62 0.08 0.02 0.00 -1.41 0.00 0.00 57.07 56.38 1gqg s TYR 215 Cb -0.15 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1gqg s TYR 215 CO 0.44 -0.91 -0.06 -0.06 -2.51 0.00 0.00 175.55 172.45 1gqg s PHE 216 N -3.81 0.57 -0.12 -3.49 0.40 -1.26 -0.07 117.98 110.19 1gqg s PHE 216 Ca 0.04 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1gqg s PHE 216 Cb -0.01 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.19 1gqg s PHE 216 CO -0.08 -0.03 -0.07 0.42 0.70 0.00 0.00 175.22 176.17 1gqg s ILE 217 N -0.48 1.00 0.41 0.64 1.01 -0.28 -4.79 121.20 118.72 1gqg s ILE 217 Ca -0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 1gqg s ILE 217 Cb -0.04 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.26 1gqg s ILE 217 CO -0.00 0.30 0.99 0.00 0.00 0.00 0.00 174.94 176.23 1gqg s ALA 218 N 1.71 3.06 -0.37 9.38 0.00 -1.26 -1.01 121.76 133.27 1gqg s ALA 218 Ca 0.04 0.54 -0.39 0.00 0.00 0.00 0.00 51.96 52.15 1gqg s ALA 218 Cb -0.13 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 1gqg s ALA 218 CO -0.08 -0.02 2.04 -1.71 0.00 0.00 0.00 175.76 175.98 1gqg n ASN 219 N -0.28 1.86 0.00 0.00 5.15 -1.25 -0.94 115.26 119.79 1gqg n ASN 219 Ca 0.06 0.68 0.00 0.00 -0.60 0.00 0.00 54.58 54.72 1gqg n ASN 219 Cb 0.52 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 1gqg n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gqg n GLY 220 N 6.04 0.88 0.42 8.20 0.00 -1.26 -4.91 105.19 114.56 1gqg n GLY 220 Ca 0.40 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.51 1gqg n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gqg n TRP 221 N -2.00 0.00 -2.20 1.61 7.02 -0.12 -4.86 117.44 116.89 1gqg n TRP 221 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1gqg n TRP 221 Cb 0.00 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.02 1gqg n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gqg n GLY 222 N 1.28 -0.31 3.77 6.99 0.00 -1.26 -1.14 105.19 114.52 1gqg n GLY 222 Ca 0.08 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1gqg n GLY 222 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqg s PRO 223 N -5.05 3.83 0.06 1.61 0.04 -1.26 -4.89 135.00 129.35 1gqg s PRO 223 Ca 0.60 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.64 1gqg s PRO 223 Cb -0.02 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1gqg s PRO 223 CO 0.41 -0.54 -0.10 0.15 0.04 0.00 0.00 177.00 176.96 1gqg s LYS 224 N -2.46 0.68 -0.03 4.56 1.02 -1.26 -3.82 119.74 118.43 1gqg s LYS 224 Ca 0.61 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1gqg s LYS 224 Cb -0.34 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1gqg s LYS 224 CO 0.42 0.09 -0.10 0.71 -0.92 0.00 0.00 175.35 175.55 1gqg s TYR 225 N -1.68 1.09 -0.26 3.18 1.51 -0.02 -1.12 117.35 120.05 1gqg s TYR 225 Ca -0.04 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.62 1gqg s TYR 225 Cb -0.08 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.94 1gqg s TYR 225 CO 0.01 -0.14 0.17 -1.17 -1.11 0.00 0.00 175.55 173.31 1gqg s LEU 226 N 0.29 4.05 -0.17 -1.29 2.96 0.37 -0.57 118.68 124.33 1gqg s LEU 226 Ca -0.05 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1gqg s LEU 226 Cb -0.10 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1gqg s LEU 226 CO 0.01 0.01 0.01 0.21 -1.32 0.00 0.00 176.35 175.27 1gqg s ASN 227 N 1.42 5.22 -0.09 3.68 3.84 0.12 -1.81 114.94 127.31 1gqg s ASN 227 Ca 0.07 -0.02 0.13 0.00 0.21 0.00 0.00 52.86 53.25 1gqg s ASN 227 Cb -0.15 -1.87 0.27 0.00 -0.55 0.00 0.00 41.25 38.95 1gqg s ASN 227 CO 0.08 0.18 1.18 -1.20 -2.79 0.00 0.00 177.10 174.54 1gqg n SER 228 N 3.50 2.62 0.12 -4.21 7.64 -1.26 -1.23 113.62 120.80 1gqg n SER 228 Ca -0.17 -2.69 -0.01 0.00 1.01 0.00 0.00 58.87 57.01 1gqg n SER 228 Cb 0.52 -0.32 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 1gqg n SER 228 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1gqg h GLN 229 N 0.56 0.00 -1.95 1.43 4.20 -1.94 -3.37 115.11 114.03 1gqg h GLN 229 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1gqg h GLN 229 Cb 0.93 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.31 1gqg h GLN 229 CO 0.04 0.66 -1.11 0.66 -0.67 0.00 0.00 178.83 178.41 1gqg n TYR 230 N -3.46 0.86 -3.62 2.96 4.01 -1.26 -5.02 117.16 111.63 1gqg n TYR 230 Ca 0.00 -3.75 0.00 0.00 -0.16 0.00 0.00 57.90 53.99 1gqg n TYR 230 Cb 0.73 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1gqg n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqg n GLY 231 N 0.17 -1.78 3.70 2.72 0.00 -1.26 -4.82 105.19 103.91 1gqg n GLY 231 Ca 0.25 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1gqg n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gqg s TYR 232 N 0.00 3.30 -0.01 1.61 2.02 -1.26 -4.09 117.35 118.92 1gqg s TYR 232 Ca 0.00 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1gqg s TYR 232 Cb 0.00 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1gqg s TYR 232 CO 0.00 0.35 -0.00 -0.65 -1.57 0.00 0.00 175.55 173.68 1gqg s GLN 233 N -0.20 0.07 -0.20 -0.62 -0.21 -0.37 -1.13 119.66 117.01 1gqg s GLN 233 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 1gqg s GLN 233 Cb -0.12 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.75 1gqg s GLN 233 CO 0.01 -0.03 -0.14 0.42 -2.12 0.00 0.00 175.29 173.43 1gqg s ILE 234 N 0.31 2.52 -0.19 1.08 1.01 -0.02 0.15 121.20 126.06 1gqg s ILE 234 Ca -0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 1gqg s ILE 234 Cb -0.04 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1gqg s ILE 234 CO -0.01 0.46 0.17 -0.69 0.00 0.00 0.00 174.94 174.88 1gqg s VAL 235 N 1.34 5.39 -0.41 2.92 1.01 0.27 -0.71 120.40 130.21 1gqg s VAL 235 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1gqg s VAL 235 Cb -0.14 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 32.84 1gqg s VAL 235 CO -0.09 0.43 0.15 0.00 0.00 0.00 0.00 175.10 175.59 1gqg s ALA 236 N 0.33 3.08 0.45 5.51 0.00 -0.19 -0.84 121.76 130.10 1gqg s ALA 236 Ca 0.10 -2.70 -0.25 0.00 0.00 0.00 0.00 51.96 49.11 1gqg s ALA 236 Cb -0.12 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 1gqg s ALA 236 CO -0.00 -1.80 1.34 -2.14 0.00 0.00 0.00 175.76 173.16 1gqg s PRO 237 N 0.72 3.73 -0.04 0.00 0.02 -1.25 -1.77 135.00 136.41 1gqg s PRO 237 Ca 0.12 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1gqg s PRO 237 Cb -0.21 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1gqg s PRO 237 CO -0.05 -0.72 -0.04 1.19 -0.33 0.00 0.00 177.00 177.05 1gqg n PHE 238 N -0.21 0.00 -4.07 6.54 3.72 0.46 -4.79 117.46 119.11 1gqg n PHE 238 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 1gqg n PHE 238 Cb 0.44 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.65 1gqg n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1gqg s VAL 239 N -2.08 0.37 0.48 -4.37 1.01 -0.38 -4.96 120.40 110.47 1gqg s VAL 239 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1gqg s VAL 239 Cb 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1gqg s VAL 239 CO 0.09 0.18 0.05 0.35 0.00 0.00 0.00 175.10 175.78 1gqg n THR 240 N 3.98 0.00 -0.19 3.92 -2.24 -1.26 -2.19 114.28 116.31 1gqg n THR 240 Ca -0.25 -2.43 0.13 0.00 -2.27 0.00 0.00 64.05 59.23 1gqg n THR 240 Cb 0.51 0.62 0.45 0.00 -2.10 0.00 0.00 70.33 69.81 1gqg n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqg h ALA 241 N 1.41 1.97 -0.73 6.98 0.00 -1.91 0.19 119.26 127.17 1gqg h ALA 241 Ca -0.39 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.65 1gqg h ALA 241 Cb 1.27 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1gqg h ALA 241 CO 0.64 -0.16 0.30 1.15 0.00 0.00 0.00 179.25 181.18 1gqg h THR 242 N 0.54 0.69 0.09 0.00 2.02 -1.95 0.13 112.91 114.43 1gqg h THR 242 Ca 0.37 -0.16 -0.35 0.00 0.77 0.00 0.00 66.41 67.05 1gqg h THR 242 Cb 0.69 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1gqg h THR 242 CO -0.13 0.08 -1.92 0.00 0.37 0.00 0.00 175.52 173.92 1gqg n GLN 243 N -4.98 0.73 -0.10 6.66 3.00 -0.45 -4.34 117.38 117.89 1gqg n GLN 243 Ca 0.13 0.27 -0.11 0.00 -0.01 0.00 0.00 57.00 57.28 1gqg n GLN 243 Cb 0.38 -1.73 0.01 0.00 0.00 0.00 0.00 30.24 28.90 1gqg n GLN 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gqg h ALA 244 N 0.32 0.66 -0.46 -1.58 0.00 -0.54 -3.43 119.26 114.24 1gqg h ALA 244 Ca -0.39 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1gqg h ALA 244 Cb 2.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1gqg h ALA 244 CO 0.09 0.67 0.00 1.04 0.00 0.00 0.00 179.25 181.05 1gqg n GLN 245 N -4.06 0.00 0.00 0.00 6.02 0.02 -1.17 117.38 118.19 1gqg n GLN 245 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1gqg n GLN 245 Cb 0.52 0.00 0.25 0.00 1.02 0.00 0.00 30.24 32.03 1gqg n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1gqg n ASP 246 N 2.49 0.02 0.24 1.08 5.75 -1.26 -1.38 116.55 123.49 1gqg n ASP 246 Ca 0.00 0.51 0.15 0.00 -0.01 0.00 0.00 54.79 55.44 1gqg n ASP 246 Cb 0.00 -0.51 0.53 0.00 -1.03 0.00 0.00 41.12 40.11 1gqg n ASP 246 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1gqg h THR 247 N 0.00 0.00 -5.53 2.12 1.35 -1.52 -3.47 112.91 105.85 1gqg h THR 247 Ca 0.00 -0.59 -0.14 0.00 -0.55 0.00 0.00 66.41 65.13 1gqg h THR 247 Cb 0.19 1.55 0.07 0.00 -1.73 0.00 0.00 68.15 68.24 1gqg h THR 247 CO 0.00 0.00 -0.41 -3.20 -0.25 0.00 0.00 175.52 171.66 1gqg n ASN 248 N -2.94 -7.09 -3.84 5.36 5.15 -0.48 -4.85 115.26 106.57 1gqg n ASN 248 Ca 0.02 -0.40 -0.08 0.00 -0.60 0.00 0.00 54.58 53.52 1gqg n ASN 248 Cb 0.35 -4.95 -0.02 0.00 -0.53 0.00 0.00 39.78 34.63 1gqg n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1gqg s TYR 249 N -3.16 -0.15 0.10 1.20 1.13 -1.21 -0.53 117.35 114.73 1gqg s TYR 249 Ca 0.19 -0.28 0.03 0.00 -1.41 0.00 0.00 57.07 55.60 1gqg s TYR 249 Cb -0.03 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1gqg s TYR 249 CO 0.76 -1.17 -0.09 0.95 -2.51 0.00 0.00 175.55 173.49 1gqg s THR 250 N -3.92 0.87 -0.09 -3.49 -4.23 -0.14 -4.46 115.64 100.18 1gqg s THR 250 Ca 0.11 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1gqg s THR 250 Cb -0.05 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.37 1gqg s THR 250 CO 0.05 -0.65 0.26 -0.22 -0.54 0.00 0.00 174.62 173.52 1gqg s LEU 251 N -2.62 1.03 0.14 4.79 2.96 -0.93 -1.14 118.68 122.91 1gqg s LEU 251 Ca 0.07 0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 54.19 1gqg s LEU 251 Cb -0.01 0.90 0.08 0.00 0.50 0.00 0.00 46.19 47.66 1gqg s LEU 251 CO -0.01 -0.13 1.06 -0.94 -1.32 0.00 0.00 176.35 175.01 1gqg s SER 252 N -0.05 -0.05 0.09 3.68 1.04 -0.52 -0.40 113.70 117.49 1gqg s SER 252 Ca -0.02 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.95 1gqg s SER 252 Cb -0.02 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1gqg s SER 252 CO 0.01 -0.84 0.07 0.42 0.98 0.00 0.00 173.24 173.88 1gqg s THR 253 N -2.50 4.42 -0.16 2.02 -4.23 -0.73 -0.02 115.64 114.43 1gqg s THR 253 Ca 0.19 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1gqg s THR 253 Cb -0.01 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.72 1gqg s THR 253 CO 0.03 0.10 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.46 1gqg s ILE 254 N -1.42 1.47 0.01 2.99 1.01 -0.10 -1.03 121.20 124.13 1gqg s ILE 254 Ca 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 1gqg s ILE 254 Cb -0.12 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1gqg s ILE 254 CO 0.21 0.34 0.29 -0.44 0.00 0.00 0.00 174.94 175.34 1gqg s SER 255 N 1.51 6.54 -0.00 3.58 0.01 0.11 -1.05 113.70 124.41 1gqg s SER 255 Ca 0.03 0.63 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1gqg s SER 255 Cb -0.14 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1gqg s SER 255 CO -0.09 0.26 -0.08 -0.04 0.41 0.00 0.00 173.24 173.70 1gqg s MET 256 N -1.65 0.64 0.74 12.44 1.00 0.79 -0.84 119.30 132.42 1gqg s MET 256 Ca 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 55.69 55.62 1gqg s MET 256 Cb -0.14 -0.61 0.13 0.00 0.00 0.00 0.00 34.83 34.22 1gqg s MET 256 CO 0.15 0.17 1.02 -1.54 0.00 0.00 0.00 175.02 174.81 1gqg s SER 257 N -0.28 4.25 0.82 3.03 1.04 -0.28 -1.79 113.70 120.48 1gqg s SER 257 Ca 0.02 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.00 1gqg s SER 257 Cb -0.04 -0.00 0.08 0.00 0.10 0.00 0.00 66.02 66.17 1gqg s SER 257 CO -0.00 -1.93 1.09 0.42 0.98 0.00 0.00 173.24 173.80 1gqg s THR 258 N -3.19 3.01 -0.34 2.02 -4.23 -1.25 -4.31 115.64 107.35 1gqg s THR 258 Ca 0.67 0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 61.34 1gqg s THR 258 Cb -0.05 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1gqg s THR 258 CO 0.45 -0.43 0.46 -0.89 -0.54 0.00 0.00 174.62 173.67 1gqg s THR 259 N -3.06 5.07 0.52 3.99 2.01 -1.26 -4.51 115.64 118.40 1gqg s THR 259 Ca 0.61 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.72 1gqg s THR 259 Cb -0.16 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 1gqg s THR 259 CO 0.55 -0.14 1.07 -2.65 -0.69 0.00 0.00 174.62 172.76 1gqg n PRO 260 N 5.60 1.26 0.25 4.92 -0.01 -1.26 -4.86 135.00 140.91 1gqg n PRO 260 Ca -0.06 0.47 0.15 0.00 -0.01 0.00 0.00 63.50 64.05 1gqg n PRO 260 Cb 0.49 -2.21 0.86 0.00 -0.01 0.00 0.00 33.50 32.62 1gqg n PRO 260 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1gqg h SER 261 N 1.11 0.00 1.02 2.55 4.64 -2.04 -0.05 113.55 120.78 1gqg h SER 261 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gqg h SER 261 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1gqg h SER 261 CO 0.54 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.85 1gqg n THR 262 N -3.90 0.39 -4.03 2.95 -2.24 -1.26 -4.76 114.28 101.42 1gqg n THR 262 Ca -0.01 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1gqg n THR 262 Cb 0.19 -0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 1gqg n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gqg s VAL 263 N -3.05 4.73 -0.08 2.28 1.01 -0.03 -5.08 120.40 120.17 1gqg s VAL 263 Ca 0.11 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1gqg s VAL 263 Cb 0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1gqg s VAL 263 CO 0.49 0.46 1.06 -0.89 0.00 0.00 0.00 175.10 176.23 1gqg s THR 264 N 0.36 4.64 -0.05 3.92 2.01 -1.26 -4.76 115.64 120.50 1gqg s THR 264 Ca 0.03 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 1gqg s THR 264 Cb -0.12 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1gqg s THR 264 CO 0.00 0.01 1.78 -0.69 -0.69 0.00 0.00 174.62 175.04 1gqg s VAL 265 N 1.98 3.38 0.55 3.82 1.01 -1.26 -4.94 120.40 124.95 1gqg s VAL 265 Ca 0.51 0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.76 1gqg s VAL 265 Cb -0.20 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1gqg s VAL 265 CO 0.20 -0.07 1.10 -2.16 0.00 0.00 0.00 175.10 174.18 1gqg s PRO 266 N 4.39 3.35 -0.21 2.72 0.04 -1.26 -5.01 135.00 139.02 1gqg s PRO 266 Ca 0.80 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 1gqg s PRO 266 Cb -0.35 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1gqg s PRO 266 CO 0.34 -0.83 0.13 0.99 0.04 0.00 0.00 177.00 177.67 1gqg s THR 267 N -1.95 5.34 0.20 1.26 2.01 -1.26 -4.51 115.64 116.73 1gqg s THR 267 Ca 0.70 0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.95 1gqg s THR 267 Cb -0.21 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1gqg s THR 267 CO 0.29 0.42 -0.03 0.26 -0.69 0.00 0.00 174.62 174.86 1gqg s TRP 268 N 0.54 2.74 -0.23 4.92 0.52 0.28 -4.92 118.94 122.80 1gqg s TRP 268 Ca 0.07 -0.19 -0.13 0.00 0.02 0.00 0.00 56.10 55.88 1gqg s TRP 268 Cb -0.12 -1.30 0.07 0.00 -1.15 0.00 0.00 33.47 30.97 1gqg s TRP 268 CO -0.00 0.54 0.56 0.45 0.02 0.00 0.00 176.95 178.52 1gqg s SER 269 N -3.10 -0.75 0.07 2.95 0.15 -1.26 -0.69 113.70 111.08 1gqg s SER 269 Ca 0.28 1.23 0.03 0.00 0.70 0.00 0.00 55.95 58.19 1gqg s SER 269 Cb -0.08 1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 65.30 1gqg s SER 269 CO 0.18 -0.22 -0.10 -0.36 1.20 0.00 0.00 173.24 173.94 1gqg s PHE 270 N 1.51 0.95 0.27 3.44 0.08 -1.26 -4.95 117.98 118.02 1gqg s PHE 270 Ca -0.10 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 1gqg s PHE 270 Cb -0.07 -0.54 0.38 0.00 -0.57 0.00 0.00 43.02 42.23 1gqg s PHE 270 CO -0.16 -0.03 1.80 -1.35 -0.10 0.00 0.00 175.22 175.38 1gqg h PRO 271 N 3.98 0.80 -6.01 0.24 0.11 -1.92 0.85 132.00 130.04 1gqg h PRO 271 Ca -0.37 -0.18 -0.57 0.00 0.11 0.00 0.00 66.00 64.98 1gqg h PRO 271 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1gqg h PRO 271 CO 0.47 0.76 -0.48 0.20 -0.21 0.00 0.00 178.00 178.74 1gqg s GLY 272 N -3.69 1.86 0.75 -0.55 0.00 -1.25 -3.94 107.32 100.50 1gqg s GLY 272 Ca -0.09 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 1gqg s GLY 272 CO 0.80 -0.97 1.18 0.00 0.00 0.00 0.00 173.10 174.11 1gqg n ALA 273 N -0.27 0.26 -2.85 3.20 0.00 -1.26 -4.06 120.51 115.53 1gqg n ALA 273 Ca -0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1gqg n ALA 273 Cb 0.53 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 1gqg n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqg s ALA 275 N -3.97 -1.23 -0.01 0.00 0.00 -0.04 -1.00 121.76 115.52 1gqg s ALA 275 Ca 0.18 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 1gqg s ALA 275 Cb 0.02 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1gqg s ALA 275 CO 0.02 -0.78 0.19 -0.59 0.00 0.00 0.00 175.76 174.60 1gqg s PHE 276 N -3.81 -0.03 -0.15 0.00 -0.12 -0.52 -1.17 117.98 112.17 1gqg s PHE 276 Ca 0.05 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1gqg s PHE 276 Cb -0.01 -0.00 -0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1gqg s PHE 276 CO -0.08 -0.31 -0.15 -1.14 -0.05 0.00 0.00 175.22 173.49 1gqg s GLN 277 N -1.31 3.22 0.18 1.99 0.74 0.24 -1.16 119.66 123.57 1gqg s GLN 277 Ca -0.14 -0.75 -0.31 0.00 0.05 0.00 0.00 55.36 54.22 1gqg s GLN 277 Cb -0.07 -2.63 -0.09 0.00 1.10 0.00 0.00 33.01 31.33 1gqg s GLN 277 CO 0.02 0.02 1.39 0.08 -0.55 0.00 0.00 175.29 176.26 1gqg s VAL 278 N 0.80 3.05 -0.23 1.34 1.01 -0.46 -0.68 120.40 125.23 1gqg s VAL 278 Ca -0.05 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 1gqg s VAL 278 Cb -0.15 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 1gqg s VAL 278 CO 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 175.10 174.99 1gqg n GLN 279 N 3.12 0.55 -3.86 2.72 1.13 0.79 -0.28 117.38 121.55 1gqg n GLN 279 Ca 0.09 0.14 -0.12 0.00 -1.94 0.00 0.00 57.00 55.17 1gqg n GLN 279 Cb 0.42 -1.43 -0.13 0.00 0.11 0.00 0.00 30.24 29.21 1gqg n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gqg s GLU 280 N -2.44 0.16 0.16 -1.09 2.12 -0.83 -4.68 118.70 112.10 1gqg s GLU 280 Ca -0.30 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1gqg s GLU 280 Cb 0.08 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1gqg s GLU 280 CO 0.50 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1gqg n GLY 281 N 2.72 -1.80 2.75 -1.50 0.00 -1.26 -0.83 105.19 105.27 1gqg n GLY 281 Ca -0.15 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 1gqg n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqg s ARG 282 N 0.00 0.11 -0.11 1.61 0.52 -1.26 -4.29 118.95 115.52 1gqg s ARG 282 Ca 0.00 0.27 0.03 0.00 -0.52 0.00 0.00 55.73 55.51 1gqg s ARG 282 Cb 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 34.95 34.46 1gqg s ARG 282 CO 0.00 -0.54 -0.22 0.08 0.02 0.00 0.00 175.30 174.64 1gqg s VAL 283 N 2.27 1.96 -0.14 3.52 1.01 -0.67 -0.73 120.40 127.64 1gqg s VAL 283 Ca 0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1gqg s VAL 283 Cb -0.14 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1gqg s VAL 283 CO -0.09 0.54 0.32 -0.69 0.00 0.00 0.00 175.10 175.18 1gqg s VAL 284 N 0.53 5.27 0.01 2.92 1.01 0.57 -0.14 120.40 130.58 1gqg s VAL 284 Ca -0.15 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1gqg s VAL 284 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1gqg s VAL 284 CO 0.05 0.41 -0.22 0.54 0.00 0.00 0.00 175.10 175.88 1gqg s VAL 285 N 0.27 1.72 -0.12 2.92 0.11 -0.27 -1.55 120.40 123.48 1gqg s VAL 285 Ca 0.18 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1gqg s VAL 285 Cb -0.14 -1.45 0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1gqg s VAL 285 CO 0.06 0.37 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.60 1gqg s GLN 286 N -0.80 0.99 -0.09 1.54 0.74 0.37 -1.27 119.66 121.15 1gqg s GLN 286 Ca 0.08 -0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.33 1gqg s GLN 286 Cb -0.09 -1.52 0.01 0.00 1.10 0.00 0.00 33.01 32.51 1gqg s GLN 286 CO 0.00 -0.38 -0.18 0.42 -0.55 0.00 0.00 175.29 174.60 1gqg s ILE 287 N 1.82 1.63 0.00 -2.34 1.01 -1.26 -0.89 121.20 121.17 1gqg s ILE 287 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1gqg s ILE 287 Cb -0.14 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1gqg s ILE 287 CO -0.07 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1gqg n GLY 288 N 3.76 3.00 1.75 6.18 0.00 -0.47 -1.60 105.19 117.81 1gqg n GLY 288 Ca -0.20 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1gqg n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gqg n ASP 289 N 2.56 5.26 -4.88 1.61 5.68 -1.26 -4.96 116.55 120.55 1gqg n ASP 289 Ca 0.00 -2.73 -0.29 0.00 -0.50 0.00 0.00 54.79 51.26 1gqg n ASP 289 Cb 0.00 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.32 1gqg n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1gqg s TYR 290 N -2.40 3.51 0.43 2.11 1.51 -0.63 -5.05 117.35 116.84 1gqg s TYR 290 Ca 0.52 0.99 -0.25 0.00 -1.01 0.00 0.00 57.07 57.32 1gqg s TYR 290 Cb 0.37 -2.42 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 1gqg s TYR 290 CO 0.18 -0.21 1.22 0.00 -1.11 0.00 0.00 175.55 175.63 1gqg s ALA 291 N -2.56 3.11 0.36 3.71 0.00 -1.26 -4.36 121.76 120.76 1gqg s ALA 291 Ca 0.50 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.23 1gqg s ALA 291 Cb -0.10 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1gqg s ALA 291 CO 0.38 -0.70 1.45 0.00 0.00 0.00 0.00 175.76 176.88 1gqg s ALA 292 N -1.40 3.56 -0.01 0.00 0.00 -1.26 -4.77 121.76 117.89 1gqg s ALA 292 Ca 0.60 1.50 0.02 0.00 0.00 0.00 0.00 51.96 54.08 1gqg s ALA 292 Cb -0.33 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1gqg s ALA 292 CO 0.41 -0.96 -0.06 0.99 0.00 0.00 0.00 175.76 176.14 1gqg s THR 293 N -1.10 0.53 -0.15 0.00 2.01 -0.40 -4.97 115.64 111.56 1gqg s THR 293 Ca 0.52 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1gqg s THR 293 Cb -0.45 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1gqg s THR 293 CO 0.60 0.16 0.42 -0.70 -0.69 0.00 0.00 174.62 174.41 1gqg s GLU 294 N -0.06 4.28 -0.02 4.92 2.12 -1.26 -1.12 118.70 127.56 1gqg s GLU 294 Ca 0.01 0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.66 1gqg s GLU 294 Cb -0.04 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1gqg s GLU 294 CO -0.00 0.12 0.04 -0.51 -0.54 0.00 0.00 175.26 174.36 1gqg s LEU 295 N 0.79 3.70 0.00 2.70 1.02 0.80 -4.94 118.68 122.75 1gqg s LEU 295 Ca 0.22 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.47 1gqg s LEU 295 Cb -0.15 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.98 1gqg s LEU 295 CO 0.08 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.36 1gqg n GLY 296 N 1.45 5.88 3.73 -3.19 0.00 -1.26 -1.67 105.19 110.13 1gqg n GLY 296 Ca -0.15 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 1gqg n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqg s SER 297 N -0.01 6.47 0.00 1.61 1.04 -1.26 -1.79 113.70 119.76 1gqg s SER 297 Ca 0.00 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.23 1gqg s SER 297 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1gqg s SER 297 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1gqg n GLY 298 N 3.14 2.82 3.78 7.32 0.00 0.62 -4.58 105.19 118.29 1gqg n GLY 298 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1gqg n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqg s ASP 299 N -3.91 5.97 -0.03 1.61 1.01 -0.74 -3.82 116.67 116.77 1gqg s ASP 299 Ca 0.00 2.19 0.06 0.00 0.71 0.00 0.00 52.55 55.51 1gqg s ASP 299 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1gqg s ASP 299 CO 0.00 -1.05 -0.20 -0.69 0.21 0.00 0.00 175.17 173.45 1gqg s VAL 300 N -1.71 1.59 -0.07 -1.27 1.01 -0.13 -1.35 120.40 118.47 1gqg s VAL 300 Ca 0.68 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1gqg s VAL 300 Cb -0.25 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1gqg s VAL 300 CO 0.29 0.45 -0.18 0.00 0.00 0.00 0.00 175.10 175.66 1gqg s ALA 301 N -0.29 2.48 -0.09 5.51 0.00 -0.30 -0.98 121.76 128.09 1gqg s ALA 301 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1gqg s ALA 301 Cb -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1gqg s ALA 301 CO 0.01 0.43 -0.22 0.12 0.00 0.00 0.00 175.76 176.10 1gqg s PHE 302 N -0.26 2.37 -0.17 0.00 5.36 -0.20 -1.44 117.98 123.64 1gqg s PHE 302 Ca 0.01 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.03 1gqg s PHE 302 Cb -0.13 -1.60 0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1gqg s PHE 302 CO 0.03 -0.39 -0.10 0.42 -1.46 0.00 0.00 175.22 173.72 1gqg s ILE 303 N 0.37 1.45 0.65 3.12 1.09 -0.17 -2.45 121.20 125.26 1gqg s ILE 303 Ca -0.18 -0.77 -0.17 0.00 -1.10 0.00 0.00 60.65 58.44 1gqg s ILE 303 Cb -0.17 -1.50 -0.01 0.00 -1.06 0.00 0.00 42.46 39.72 1gqg s ILE 303 CO 0.08 0.25 1.22 -2.84 -0.10 0.00 0.00 174.94 173.55 1gqg s PRO 304 N 1.50 2.61 0.45 2.79 0.02 -1.26 -1.25 135.00 139.86 1gqg s PRO 304 Ca 0.01 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 62.62 1gqg s PRO 304 Cb -0.15 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1gqg s PRO 304 CO -0.09 -1.49 1.36 0.41 -0.33 0.00 0.00 177.00 176.86 1gqg n GLY 305 N 0.51 0.79 3.07 0.52 0.00 -1.26 -2.34 105.19 106.48 1gqg n GLY 305 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1gqg n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqg n GLY 306 N 0.69 1.26 3.73 -0.02 0.00 0.29 -4.90 105.19 106.25 1gqg n GLY 306 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1gqg n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqg s VAL 307 N -3.67 5.34 0.39 1.61 1.01 -0.99 -4.90 120.40 119.19 1gqg s VAL 307 Ca 0.00 0.42 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 1gqg s VAL 307 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1gqg s VAL 307 CO 0.00 0.41 1.15 -1.61 0.00 0.00 0.00 175.10 175.05 1gqg s GLU 308 N 0.40 4.12 0.07 2.72 2.02 -1.26 -4.60 118.70 122.17 1gqg s GLU 308 Ca 0.13 1.80 -0.11 0.00 0.02 0.00 0.00 54.97 56.82 1gqg s GLU 308 Cb -0.12 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1gqg s GLU 308 CO 0.02 -0.25 0.24 -0.59 0.02 0.00 0.00 175.26 174.70 1gqg s PHE 309 N -1.42 0.03 0.01 1.61 -0.71 0.14 -1.37 117.98 116.27 1gqg s PHE 309 Ca 0.56 -0.33 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 1gqg s PHE 309 Cb -0.30 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 1gqg s PHE 309 CO 0.38 -0.53 -0.08 0.15 -1.34 0.00 0.00 175.22 173.80 1gqg s LYS 310 N -3.25 0.61 0.02 1.99 1.02 -0.07 -0.55 119.74 119.52 1gqg s LYS 310 Ca 0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 1gqg s LYS 310 Cb 0.02 -0.55 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 1gqg s LYS 310 CO -0.08 0.14 0.18 1.52 -0.92 0.00 0.00 175.35 176.19 1gqg s TYR 311 N -0.51 0.05 0.16 3.18 1.13 -1.26 -0.48 117.35 119.63 1gqg s TYR 311 Ca -0.00 -0.21 -0.21 0.00 -1.41 0.00 0.00 57.07 55.23 1gqg s TYR 311 Cb -0.05 -0.04 0.06 0.00 -1.10 0.00 0.00 41.96 40.83 1gqg s TYR 311 CO 0.00 -0.38 0.56 1.52 -2.51 0.00 0.00 175.55 174.75 1gqg s TYR 312 N -2.11 -0.42 -0.20 -3.49 1.13 -0.59 -4.86 117.35 106.80 1gqg s TYR 312 Ca -0.09 0.16 -0.14 0.00 -1.41 0.00 0.00 57.07 55.60 1gqg s TYR 312 Cb -0.03 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1gqg s TYR 312 CO -0.02 -0.85 0.30 0.45 -2.51 0.00 0.00 175.55 172.93 1gqg s SER 313 N -2.78 6.35 0.02 -0.18 0.15 -1.26 -0.31 113.70 115.68 1gqg s SER 313 Ca 0.03 0.41 0.02 0.00 0.70 0.00 0.00 55.95 57.10 1gqg s SER 313 Cb -0.01 -2.18 -0.26 0.00 -1.71 0.00 0.00 66.02 61.86 1gqg s SER 313 CO -0.11 0.01 0.90 -0.08 1.20 0.00 0.00 173.24 175.16 1gqg h GLU 314 N 7.20 0.16 -7.21 5.44 4.57 -1.29 -3.40 114.58 120.05 1gqg h GLU 314 Ca -0.38 -0.27 -0.50 0.00 -1.18 0.00 0.00 59.36 57.03 1gqg h GLU 314 Cb 1.16 0.10 0.09 0.00 -0.16 0.00 0.00 28.75 29.94 1gqg h GLU 314 CO 0.71 0.99 0.37 0.00 -1.18 0.00 0.00 179.01 179.90 1gqg s ALA 315 N -2.63 2.58 0.38 2.92 0.00 -1.08 -4.93 121.76 118.99 1gqg s ALA 315 Ca -0.07 0.46 0.27 0.00 0.00 0.00 0.00 51.96 52.62 1gqg s ALA 315 Cb 0.08 -3.28 1.37 0.00 0.00 0.00 0.00 23.12 21.29 1gqg s ALA 315 CO 0.84 -1.11 2.04 1.88 0.00 0.00 0.00 175.76 179.40 1gqg h TYR 316 N 0.11 0.00 -2.87 0.00 0.05 -1.91 -3.38 116.97 108.98 1gqg h TYR 316 Ca -0.47 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.14 1gqg h TYR 316 Cb 1.23 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.68 1gqg h TYR 316 CO 0.56 0.14 -0.43 0.12 -1.05 0.00 0.00 178.16 177.50 1gqg s PHE 317 N -4.13 -0.44 0.10 4.88 2.19 -1.26 -3.87 117.98 115.45 1gqg s PHE 317 Ca -0.02 0.99 0.04 0.00 0.33 0.00 0.00 56.93 58.27 1gqg s PHE 317 Cb 0.13 0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.91 1gqg s PHE 317 CO 0.59 -0.29 -0.11 -1.12 1.83 0.00 0.00 175.22 176.12 1gqg s SER 318 N 1.53 1.60 -0.03 6.13 0.01 -0.74 -4.34 113.70 117.86 1gqg s SER 318 Ca -0.08 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1gqg s SER 318 Cb -0.10 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1gqg s SER 318 CO -0.10 -0.21 -0.01 -0.75 0.41 0.00 0.00 173.24 172.58 1gqg s LYS 319 N -2.58 0.39 0.15 12.44 2.20 -0.01 -0.15 119.74 132.18 1gqg s LYS 319 Ca 0.05 0.03 0.08 0.00 -0.36 0.00 0.00 55.97 55.78 1gqg s LYS 319 Cb -0.05 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 1gqg s LYS 319 CO 0.01 -0.12 -0.19 0.14 -0.36 0.00 0.00 175.35 174.84 1gqg s VAL 320 N 0.95 1.77 -0.18 4.02 -7.23 -0.21 -0.15 120.40 119.37 1gqg s VAL 320 Ca -0.10 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1gqg s VAL 320 Cb -0.13 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1gqg s VAL 320 CO -0.01 -0.25 0.45 -0.22 -0.31 0.00 0.00 175.10 174.77 1gqg s LEU 321 N -2.44 4.18 -0.06 1.32 2.96 0.15 -0.93 118.68 123.85 1gqg s LEU 321 Ca 0.13 0.63 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1gqg s LEU 321 Cb -0.07 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 1gqg s LEU 321 CO 0.06 -0.10 -0.19 0.12 -1.32 0.00 0.00 176.35 174.92 1gqg s PHE 322 N 1.28 1.95 -0.00 5.38 5.36 0.96 -0.59 117.98 132.32 1gqg s PHE 322 Ca 0.22 -0.65 0.05 0.00 -0.96 0.00 0.00 56.93 55.59 1gqg s PHE 322 Cb -0.15 -1.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.19 1gqg s PHE 322 CO 0.09 -0.25 -0.17 0.54 -1.46 0.00 0.00 175.22 173.97 1gqg s VAL 323 N 0.19 1.35 -0.02 3.12 0.11 -0.32 -1.44 120.40 123.40 1gqg s VAL 323 Ca -0.09 -0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1gqg s VAL 323 Cb -0.14 -1.14 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1gqg s VAL 323 CO 0.04 0.33 0.04 -0.55 -3.33 0.00 0.00 175.10 171.63 1gqg s SER 324 N -0.52 -0.01 -0.02 3.54 0.15 -0.29 -0.86 113.70 115.70 1gqg s SER 324 Ca 0.06 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.52 1gqg s SER 324 Cb -0.07 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1gqg s SER 324 CO -0.00 -0.05 0.80 -0.55 1.20 0.00 0.00 173.24 174.63 1gqg s SER 325 N 0.40 7.16 0.00 5.45 0.15 0.11 -0.97 113.70 126.00 1gqg s SER 325 Ca -0.03 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1gqg s SER 325 Cb -0.05 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1gqg s SER 325 CO -0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1gqg n GLY 326 N 2.85 1.37 0.07 9.45 0.00 0.31 -3.91 105.19 115.33 1gqg n GLY 326 Ca 0.01 -2.14 0.10 0.00 0.00 0.00 0.00 46.02 43.99 1gqg n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqg n SER 327 N 0.00 1.15 -2.56 1.61 3.41 -1.26 -3.29 113.62 112.68 1gqg n SER 327 Ca 0.00 -1.07 -0.14 0.00 -0.26 0.00 0.00 58.87 57.40 1gqg n SER 327 Cb 0.00 0.91 0.02 0.00 -0.26 0.00 0.00 64.21 64.89 1gqg n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gqg n ASP 328 N -1.28 2.85 -2.37 4.04 8.00 -1.26 -4.89 116.55 121.65 1gqg n ASP 328 Ca 0.05 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.55 1gqg n ASP 328 Cb 0.35 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1gqg n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gqg n GLY 329 N -0.37 -1.16 0.19 0.44 0.00 -1.26 -4.65 105.19 98.38 1gqg n GLY 329 Ca 0.22 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 1gqg n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gqg h LEU 330 N 0.00 -0.32 -0.53 0.99 5.85 -1.97 -1.30 115.31 118.03 1gqg h LEU 330 Ca 0.00 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1gqg h LEU 330 Cb 0.00 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1gqg h LEU 330 CO 0.00 -0.11 0.13 -2.24 -0.34 0.00 0.00 178.44 175.88 1gqg h ASP 331 N 0.05 0.80 0.02 1.25 2.03 -1.97 -1.08 116.42 117.52 1gqg h ASP 331 Ca 0.22 -0.23 -0.08 0.00 -0.73 0.00 0.00 57.03 56.21 1gqg h ASP 331 Cb 0.34 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1gqg h ASP 331 CO -0.43 0.82 -0.24 -0.61 -1.03 0.00 0.00 179.24 177.75 1gqg h GLN 332 N 0.74 0.36 -0.28 4.15 5.75 -1.84 -1.42 115.11 122.57 1gqg h GLN 332 Ca 0.17 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1gqg h GLN 332 Cb 0.33 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1gqg h GLN 332 CO 0.00 0.58 0.08 -0.97 -2.65 0.00 0.00 178.83 175.87 1gqg h ASN 333 N 0.32 0.42 -0.76 -0.69 -0.73 -0.74 -0.20 115.58 113.21 1gqg h ASN 333 Ca 0.05 -0.22 -0.06 0.00 1.87 0.00 0.00 56.30 57.94 1gqg h ASN 333 Cb 0.60 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1gqg h ASN 333 CO 0.04 0.53 0.24 -0.07 -0.37 0.00 0.00 177.43 177.81 1gqg h LEU 334 N 0.29 1.09 -0.00 0.34 3.38 -0.95 -1.12 115.31 118.34 1gqg h LEU 334 Ca 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1gqg h LEU 334 Cb 0.27 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gqg h LEU 334 CO -0.00 1.01 0.00 0.58 0.09 0.00 0.00 178.44 180.12 1gqg h VAL 335 N 1.12 1.09 -0.15 1.22 2.07 -1.11 -1.58 116.25 118.91 1gqg h VAL 335 Ca 0.25 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1gqg h VAL 335 Cb 0.30 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1gqg h VAL 335 CO -0.01 0.07 0.11 0.78 0.02 0.00 0.00 177.57 178.53 1gqg h ASN 336 N -0.11 0.09 -0.25 0.57 -0.26 -0.79 -0.48 115.58 114.35 1gqg h ASN 336 Ca 0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1gqg h ASN 336 Cb 0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1gqg h ASN 336 CO -0.00 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.04 1gqg n GLY 337 N -1.54 0.82 0.00 2.83 0.00 -0.44 -4.94 105.19 101.92 1gqg n GLY 337 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1gqg n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqg n GLY 338 N 1.26 4.13 3.27 -0.02 0.00 -0.19 -4.67 105.19 108.98 1gqg n GLY 338 Ca 0.17 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1gqg n GLY 338 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gqg s GLU 339 N 2.73 0.87 0.38 1.61 -1.05 -0.75 -4.96 118.70 117.54 1gqg s GLU 339 Ca 0.00 -0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 53.97 1gqg s GLU 339 Cb 0.00 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.96 1gqg s GLU 339 CO 0.00 -0.30 1.45 -1.21 0.95 0.00 0.00 175.26 176.16 1gqg s GLU 340 N -2.90 4.11 -0.00 -4.83 2.02 -1.26 -0.48 118.70 115.35 1gqg s GLU 340 Ca -0.03 2.50 -0.00 0.00 0.02 0.00 0.00 54.97 57.46 1gqg s GLU 340 Cb 0.00 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1gqg s GLU 340 CO -0.06 -0.51 0.01 -0.46 0.02 0.00 0.00 175.26 174.27 1gqg s TRP 341 N -1.13 -0.01 -2.16 1.61 -0.11 -0.28 -4.71 118.94 112.16 1gqg s TRP 341 Ca 0.53 0.02 0.23 0.00 1.22 0.00 0.00 56.10 58.09 1gqg s TRP 341 Cb -0.45 -0.00 0.57 0.00 -1.50 0.00 0.00 33.47 32.09 1gqg s TRP 341 CO 0.61 -0.01 1.49 -1.13 -4.62 0.00 0.00 176.95 173.29 1gqg n SER 342 N 3.03 3.70 -4.12 5.86 3.41 -1.26 -4.01 113.62 120.23 1gqg n SER 342 Ca -0.12 -1.99 -0.13 0.00 -0.26 0.00 0.00 58.87 56.36 1gqg n SER 342 Cb 0.60 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1gqg n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gqg s SER 343 N -1.16 1.12 0.17 4.04 0.15 -1.26 -5.00 113.70 111.76 1gqg s SER 343 Ca 0.45 -0.73 0.26 0.00 0.70 0.00 0.00 55.95 56.63 1gqg s SER 343 Cb 0.24 0.04 0.78 0.00 -1.71 0.00 0.00 66.02 65.38 1gqg s SER 343 CO 0.32 -0.27 1.73 1.33 1.20 0.00 0.00 173.24 177.55 1gqg n VAL 344 N 0.87 0.50 -3.90 4.45 0.24 -1.26 -4.80 118.33 114.43 1gqg n VAL 344 Ca -0.18 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.54 1gqg n VAL 344 Cb 0.57 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 1gqg n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1gqg s SER 345 N -4.32 6.37 0.67 -1.34 0.01 -1.26 -5.02 113.70 108.81 1gqg s SER 345 Ca 0.10 0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 1gqg s SER 345 Cb 0.13 -1.99 0.07 0.00 0.21 0.00 0.00 66.02 64.44 1gqg s SER 345 CO 0.61 0.23 0.95 0.72 0.41 0.00 0.00 173.24 176.16 1gqg s PHE 346 N -1.39 2.55 0.64 2.43 -0.12 -1.26 -5.02 117.98 115.81 1gqg s PHE 346 Ca 0.30 0.14 -0.18 0.00 -0.05 0.00 0.00 56.93 57.14 1gqg s PHE 346 Cb -0.13 -3.07 -0.01 0.00 -0.63 0.00 0.00 43.02 39.18 1gqg s PHE 346 CO 0.22 -1.37 1.29 -2.14 -0.05 0.00 0.00 175.22 173.16 1gqg s PRO 347 N -5.11 2.60 0.33 1.99 0.02 -1.26 -4.92 135.00 128.66 1gqg s PRO 347 Ca 0.61 2.04 0.26 0.00 0.02 0.00 0.00 61.00 63.94 1gqg s PRO 347 Cb -0.09 -1.86 0.87 0.00 0.02 0.00 0.00 34.50 33.44 1gqg s PRO 347 CO 0.43 -1.55 1.76 0.00 -0.33 0.00 0.00 177.00 177.31 1gqg h ALA 348 N 0.59 1.00 -3.80 -1.55 0.00 -2.08 -3.44 119.26 109.99 1gqg h ALA 348 Ca -0.51 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.74 1gqg h ALA 348 Cb 1.33 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.91 1gqg h ALA 348 CO 0.53 0.00 -0.86 -0.51 0.00 0.00 0.00 179.25 178.42 1gqg s ASP 349 N -4.97 3.18 0.00 0.00 1.01 -1.26 -5.29 116.67 109.34 1gqg s ASP 349 Ca 0.06 -0.75 0.22 0.00 0.71 0.00 0.00 52.55 52.79 1gqg s ASP 349 Cb 0.09 -0.21 1.30 0.00 1.01 0.00 0.00 42.92 45.12 1gqg s ASP 349 CO 0.54 0.15 1.68 0.79 0.21 0.00 0.00 175.17 178.54