#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb7 n GLY 3 N 0.00 1.63 3.77 5.00 0.00 -1.26 -4.98 105.19 109.36 3mb7 n GLY 3 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3mb7 n GLY 3 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mb7 s PRO 4 N 0.24 3.93 0.16 1.61 0.02 -1.26 -4.83 135.00 134.87 3mb7 s PRO 4 Ca 0.00 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 3mb7 s PRO 4 Cb 0.00 -2.48 -0.09 0.00 0.02 0.00 0.00 34.50 31.95 3mb7 s PRO 4 CO 0.00 -0.39 1.42 0.08 -0.33 0.00 0.00 177.00 177.78 3mb7 s VAL 5 N -1.57 3.05 0.91 3.83 1.01 0.19 -4.99 120.40 122.83 3mb7 s VAL 5 Ca 0.61 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 3mb7 s VAL 5 Cb -0.27 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.75 3mb7 s VAL 5 CO 0.33 0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.44 3mb7 s PRO 6 N 0.73 1.12 0.03 2.72 0.04 -1.26 -4.89 135.00 133.48 3mb7 s PRO 6 Ca 0.64 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 3mb7 s PRO 6 Cb -0.39 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 3mb7 s PRO 6 CO 0.33 -2.40 -0.01 0.45 0.04 0.00 0.00 177.00 175.41 3mb7 s SER 7 N -3.13 0.29 0.03 6.66 0.15 -1.26 -5.08 113.70 111.34 3mb7 s SER 7 Ca 0.64 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.71 3mb7 s SER 7 Cb -0.20 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3mb7 s SER 7 CO 0.58 -0.40 -0.10 -0.13 1.20 0.00 0.00 173.24 174.39 3mb7 s ARG 8 N -2.19 0.69 0.48 5.44 0.52 -1.26 -4.39 118.95 118.24 3mb7 s ARG 8 Ca -0.09 -0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 54.30 3mb7 s ARG 8 Cb -0.04 -0.62 -0.08 0.00 0.52 0.00 0.00 34.95 34.73 3mb7 s ARG 8 CO -0.04 0.15 1.17 0.00 0.02 0.00 0.00 175.30 176.60 3mb7 n ALA 9 N 2.11 0.88 0.92 2.13 0.00 -1.26 -4.92 120.51 120.38 3mb7 n ALA 9 Ca -0.18 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3mb7 n ALA 9 Cb 0.56 -2.21 0.27 0.00 0.00 0.00 0.00 19.45 18.06 3mb7 n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mb7 n ARG 10 N -0.36 0.06 -4.18 0.00 1.74 -1.26 -4.63 116.66 108.03 3mb7 n ARG 10 Ca 0.09 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.06 3mb7 n ARG 10 Cb 0.42 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 3mb7 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mb7 s VAL 11 N -3.03 0.89 -1.27 1.55 -7.23 -1.26 -4.85 120.40 105.20 3mb7 s VAL 11 Ca 0.10 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3mb7 s VAL 11 Cb 0.17 -1.48 0.09 0.00 0.56 0.00 0.00 36.38 35.72 3mb7 s VAL 11 CO 0.69 -0.67 0.48 -1.22 -0.31 0.00 0.00 175.10 174.07 3mb7 n TYR 12 N 0.32 -1.72 -0.12 2.82 4.01 -1.26 -4.83 117.16 116.38 3mb7 n TYR 12 Ca -0.14 0.48 -0.09 0.00 -0.16 0.00 0.00 57.90 57.98 3mb7 n TYR 12 Cb 0.59 -2.61 -0.01 0.00 -0.31 0.00 0.00 39.34 37.00 3mb7 n TYR 12 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3mb7 h THR 13 N -0.90 1.18 -0.20 -0.72 2.02 -1.89 -3.25 112.91 109.15 3mb7 h THR 13 Ca -0.42 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3mb7 h THR 13 Cb 1.28 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3mb7 h THR 13 CO 0.55 0.20 0.00 0.47 0.37 0.00 0.00 175.52 177.11 3mb7 n ASP 14 N -4.69 3.07 -0.33 4.18 8.00 -1.26 -4.35 116.55 121.17 3mb7 n ASP 14 Ca -0.01 -2.58 0.09 0.00 0.71 0.00 0.00 54.79 52.99 3mb7 n ASP 14 Cb 0.13 -0.35 0.25 0.00 -0.02 0.00 0.00 41.12 41.13 3mb7 n ASP 14 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3mb7 h VAL 15 N 1.30 0.80 -0.04 2.53 -1.51 -1.91 -2.53 116.25 114.90 3mb7 h VAL 15 Ca 0.00 -0.27 -0.14 0.00 -1.23 0.00 0.00 66.70 65.05 3mb7 h VAL 15 Cb 1.02 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 3mb7 h VAL 15 CO 0.09 0.15 -0.62 0.78 -1.23 0.00 0.00 177.57 176.73 3mb7 h ASN 16 N 0.80 0.18 0.49 4.19 2.35 -1.85 -3.24 115.58 118.50 3mb7 h ASN 16 Ca 0.50 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 56.11 3mb7 h ASN 16 Cb 0.65 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3mb7 h ASN 16 CO -0.33 0.75 -0.19 0.71 -1.65 0.00 0.00 177.43 176.72 3mb7 h THR 17 N 0.11 0.69 0.00 2.81 1.35 -1.81 -2.01 112.91 114.06 3mb7 h THR 17 Ca -0.01 -0.81 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3mb7 h THR 17 Cb 1.12 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3mb7 h THR 17 CO 0.09 0.19 -0.30 0.45 -0.25 0.00 0.00 175.52 175.70 3mb7 h HIS 18 N 0.00 0.00 -4.25 4.73 3.86 -1.62 -3.47 115.15 114.41 3mb7 h HIS 18 Ca -0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3mb7 h HIS 18 Cb 0.49 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.08 3mb7 h HIS 18 CO 0.00 0.02 0.35 1.03 0.86 0.00 0.00 177.93 180.19 3mb7 s ARG 19 N -3.24 2.50 0.49 2.45 1.81 -0.76 -5.01 118.95 117.19 3mb7 s ARG 19 Ca 0.05 1.33 -0.24 0.00 -1.72 0.00 0.00 55.73 55.15 3mb7 s ARG 19 Cb 0.06 -1.92 -0.07 0.00 -0.45 0.00 0.00 34.95 32.58 3mb7 s ARG 19 CO 0.71 -1.48 1.41 -2.14 -0.68 0.00 0.00 175.30 173.12 3mb7 s PRO 20 N -4.42 3.44 0.30 3.54 0.02 -1.26 -4.89 135.00 131.73 3mb7 s PRO 20 Ca 0.65 2.38 0.05 0.00 0.02 0.00 0.00 61.00 64.10 3mb7 s PRO 20 Cb -0.20 -2.49 0.78 0.00 0.02 0.00 0.00 34.50 32.62 3mb7 s PRO 20 CO 0.48 -1.00 1.66 0.00 -0.33 0.00 0.00 177.00 177.81 3mb7 h ARG 21 N 1.95 0.26 -0.21 5.54 3.08 -1.95 -1.63 114.38 121.43 3mb7 h ARG 21 Ca -0.51 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.58 3mb7 h ARG 21 Cb 1.28 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3mb7 h ARG 21 CO 0.59 0.17 0.15 1.05 -1.07 0.00 0.00 179.97 180.86 3mb7 h GLU 22 N 0.26 0.01 -0.48 0.04 9.09 -1.90 0.12 114.58 121.73 3mb7 h GLU 22 Ca 0.59 -0.00 0.08 0.00 0.05 0.00 0.00 59.36 60.07 3mb7 h GLU 22 Cb 1.21 -0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.24 3mb7 h GLU 22 CO -0.62 0.01 0.11 -0.92 0.05 0.00 0.00 179.01 177.64 3mb7 h TYR 23 N 0.01 0.19 0.00 2.06 3.20 -1.66 -3.28 116.97 117.49 3mb7 h TYR 23 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3mb7 h TYR 23 Cb 0.37 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3mb7 h TYR 23 CO -0.00 0.02 -1.29 -2.67 -1.64 0.00 0.00 178.16 172.59 3mb7 n TRP 24 N -5.08 0.00 -1.75 -3.82 4.27 -0.94 -4.75 117.44 105.37 3mb7 n TRP 24 Ca 0.05 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.24 3mb7 n TRP 24 Cb 0.22 -0.20 -0.00 0.00 -1.36 0.00 0.00 31.31 29.97 3mb7 n TRP 24 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3mb7 n ASP 25 N -1.75 4.68 0.31 -0.67 2.03 0.39 -4.73 116.55 116.81 3mb7 n ASP 25 Ca -0.01 -2.84 0.18 0.00 0.52 0.00 0.00 54.79 52.64 3mb7 n ASP 25 Cb 0.29 -1.62 0.98 0.00 -0.72 0.00 0.00 41.12 40.05 3mb7 n ASP 25 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3mb7 h TYR 26 N 5.82 0.00 0.00 -0.67 -0.00 -1.85 -2.02 116.97 118.25 3mb7 h TYR 26 Ca 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.32 3mb7 h TYR 26 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.32 3mb7 h TYR 26 CO 1.49 0.03 -0.01 0.93 -0.00 0.00 0.00 178.16 180.59 3mb7 h GLU 27 N 0.00 0.00 -0.01 0.10 5.08 -1.91 -2.00 114.58 115.84 3mb7 h GLU 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mb7 h GLU 27 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3mb7 h GLU 27 CO 0.00 0.01 -0.26 -1.13 -1.00 0.00 0.00 179.01 176.64 3mb7 n SER 28 N -4.27 1.51 -4.76 1.42 3.41 -0.76 -4.97 113.62 105.21 3mb7 n SER 28 Ca -0.03 -1.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.94 3mb7 n SER 28 Cb 0.10 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3mb7 n SER 28 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3mb7 s HIS 29 N -2.38 2.89 -0.31 7.33 5.04 -0.75 -5.00 115.29 122.10 3mb7 s HIS 29 Ca 0.25 1.19 -0.09 0.00 -1.54 0.00 0.00 55.06 54.88 3mb7 s HIS 29 Cb 0.19 -3.84 0.00 0.00 0.04 0.00 0.00 32.58 28.97 3mb7 s HIS 29 CO 0.49 -2.53 0.13 0.08 -2.34 0.00 0.00 174.74 170.57 3mb7 s VAL 30 N -0.74 4.31 0.19 0.89 1.01 -1.26 -5.07 120.40 119.73 3mb7 s VAL 30 Ca 0.54 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3mb7 s VAL 30 Cb -0.43 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 3mb7 s VAL 30 CO 0.53 0.03 1.35 -0.69 0.00 0.00 0.00 175.10 176.32 3mb7 s VAL 31 N 1.55 3.14 -0.22 2.92 1.01 -1.26 -5.01 120.40 122.53 3mb7 s VAL 31 Ca 0.03 0.90 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 3mb7 s VAL 31 Cb -0.17 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3mb7 s VAL 31 CO 0.05 0.12 0.26 -0.70 0.00 0.00 0.00 175.10 174.83 3mb7 s GLU 32 N 0.16 4.13 -0.12 2.72 2.12 -1.26 -5.08 118.70 121.36 3mb7 s GLU 32 Ca 0.59 -0.06 -0.05 0.00 0.36 0.00 0.00 54.97 55.81 3mb7 s GLU 32 Cb -0.37 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 3mb7 s GLU 32 CO 0.37 0.05 0.07 -1.58 -0.54 0.00 0.00 175.26 173.62 3mb7 s TRP 33 N 1.08 3.35 0.00 5.30 0.52 -1.26 -4.56 118.94 123.37 3mb7 s TRP 33 Ca 0.13 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.54 3mb7 s TRP 33 Cb -0.14 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.26 3mb7 s TRP 33 CO 0.05 0.49 0.00 0.41 0.02 0.00 0.00 176.95 177.92 3mb7 n GLY 34 N 2.45 1.32 3.34 0.98 0.00 0.14 -5.00 105.19 108.42 3mb7 n GLY 34 Ca -0.19 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 3mb7 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mb7 s ASN 35 N -1.00 5.61 0.43 1.61 0.02 -1.26 -4.71 114.94 115.65 3mb7 s ASN 35 Ca 0.00 -1.08 0.18 0.00 -1.02 0.00 0.00 52.86 50.93 3mb7 s ASN 35 Cb 0.00 -1.98 1.10 0.00 0.02 0.00 0.00 41.25 40.39 3mb7 s ASN 35 CO 0.00 -0.38 1.90 -0.61 0.02 0.00 0.00 177.10 178.02 3mb7 h GLN 36 N 8.38 0.36 0.00 -0.60 5.75 -1.93 -1.19 115.11 125.87 3mb7 h GLN 36 Ca -0.24 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3mb7 h GLN 36 Cb 1.10 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.56 3mb7 h GLN 36 CO 0.66 0.24 0.00 -0.40 -2.65 0.00 0.00 178.83 176.68 3mb7 n ASP 37 N -4.47 0.14 0.17 -0.69 5.75 -1.26 -1.67 116.55 114.52 3mb7 n ASP 37 Ca 0.16 0.54 0.13 0.00 -0.01 0.00 0.00 54.79 55.61 3mb7 n ASP 37 Cb 0.62 -0.57 0.59 0.00 -1.03 0.00 0.00 41.12 40.73 3mb7 n ASP 37 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3mb7 h ASP 38 N 0.00 0.00 -3.47 -1.12 3.32 -1.61 -3.45 116.42 110.10 3mb7 h ASP 38 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3mb7 h ASP 38 Cb 0.23 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.45 3mb7 h ASP 38 CO 0.00 0.00 -0.86 -0.31 -1.72 0.00 0.00 179.24 176.35 3mb7 s TYR 39 N -3.47 2.16 -0.19 4.55 1.51 -0.67 -0.53 117.35 120.71 3mb7 s TYR 39 Ca 0.02 -0.83 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 3mb7 s TYR 39 Cb 0.09 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 3mb7 s TYR 39 CO 0.37 -0.34 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.21 3mb7 s GLN 40 N 0.37 3.22 0.36 -0.62 2.00 -0.55 -4.98 119.66 119.45 3mb7 s GLN 40 Ca -0.15 -0.72 -0.27 0.00 -2.00 0.00 0.00 55.36 52.22 3mb7 s GLN 40 Cb -0.16 -2.76 -0.09 0.00 0.80 0.00 0.00 33.01 30.79 3mb7 s GLN 40 CO 0.06 -0.13 1.20 -0.51 -0.50 0.00 0.00 175.29 175.41 3mb7 s LEU 41 N 1.21 4.32 -0.09 3.68 1.43 -1.26 -0.96 118.68 127.00 3mb7 s LEU 41 Ca 0.02 2.44 -0.06 0.00 -1.03 0.00 0.00 54.13 55.50 3mb7 s LEU 41 Cb -0.14 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3mb7 s LEU 41 CO -0.05 -0.56 -0.14 0.52 0.23 0.00 0.00 176.35 176.35 3mb7 n VAL 42 N 0.45 0.69 -3.57 -1.59 0.31 0.53 -4.89 118.33 110.25 3mb7 n VAL 42 Ca 0.02 -0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.10 3mb7 n VAL 42 Cb 0.45 -1.68 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 3mb7 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mb7 s ARG 43 N -2.22 0.96 0.18 5.55 1.70 -1.00 -5.00 118.95 119.12 3mb7 s ARG 43 Ca -0.14 0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 3mb7 s ARG 43 Cb 0.05 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 3mb7 s ARG 43 CO 0.19 -0.26 1.18 0.21 -1.08 0.00 0.00 175.30 175.53 3mb7 s LYS 44 N -0.86 4.50 -0.22 3.89 2.20 -1.26 -0.39 119.74 127.60 3mb7 s LYS 44 Ca -0.09 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.42 3mb7 s LYS 44 Cb -0.02 -3.25 -0.17 0.00 -1.51 0.00 0.00 37.83 32.88 3mb7 s LYS 44 CO 0.07 -0.07 -0.14 1.28 -0.36 0.00 0.00 175.35 176.13 3mb7 n LEU 45 N 2.56 2.25 -3.74 5.43 4.77 0.10 -4.86 117.00 123.51 3mb7 n LEU 45 Ca 0.04 -0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 3mb7 n LEU 45 Cb 0.45 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3mb7 n LEU 45 CO 0.55 0.79 0.90 -0.83 -1.33 0.00 0.00 177.39 177.47 3mb7 s GLY 46 N -6.01 -0.24 -0.01 -0.72 0.00 -1.07 -5.01 107.32 94.26 3mb7 s GLY 46 Ca -0.26 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3mb7 s GLY 46 CO 0.59 0.88 0.01 -1.60 0.00 0.00 0.00 173.10 172.98 3mb7 s ARG 47 N -2.67 0.08 0.29 2.90 3.52 -1.26 -0.85 118.95 120.95 3mb7 s ARG 47 Ca 0.16 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 3mb7 s ARG 47 Cb 0.01 -0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 3mb7 s ARG 47 CO 0.00 -0.08 0.11 0.41 -0.81 0.00 0.00 175.30 174.93 3mb7 n GLY 48 N 3.67 3.37 0.17 8.12 0.00 0.18 -5.01 105.19 115.70 3mb7 n GLY 48 Ca -0.21 -2.27 0.13 0.00 0.00 0.00 0.00 46.02 43.67 3mb7 n GLY 48 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mb7 h LYS 49 N 0.00 0.00 0.00 1.61 2.10 -2.01 -3.28 116.57 114.99 3mb7 h LYS 49 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3mb7 h LYS 49 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3mb7 h LYS 49 CO 0.34 0.00 -0.67 0.66 -2.00 0.00 0.00 179.45 177.78 3mb7 n TYR 50 N -2.43 0.00 -3.93 0.07 4.01 -1.26 -4.86 117.16 108.76 3mb7 n TYR 50 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 3mb7 n TYR 50 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 3mb7 n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3mb7 s SER 51 N -1.60 -0.14 -0.04 7.72 1.04 -1.24 0.99 113.70 120.43 3mb7 s SER 51 Ca 0.00 -0.81 0.06 0.00 0.48 0.00 0.00 55.95 55.68 3mb7 s SER 51 Cb 0.00 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 3mb7 s SER 51 CO 0.00 -1.27 -0.21 -1.61 0.98 0.00 0.00 173.24 171.14 3mb7 s GLU 52 N -3.87 1.94 -0.09 4.02 2.02 -0.79 -0.64 118.70 121.28 3mb7 s GLU 52 Ca 0.17 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3mb7 s GLU 52 Cb -0.03 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 3mb7 s GLU 52 CO 0.08 0.36 -0.20 0.08 0.02 0.00 0.00 175.26 175.61 3mb7 s VAL 53 N -0.23 2.49 0.03 2.63 1.01 -0.03 -0.46 120.40 125.84 3mb7 s VAL 53 Ca 0.01 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3mb7 s VAL 53 Cb -0.11 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3mb7 s VAL 53 CO 0.01 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.14 3mb7 s PHE 54 N 0.11 1.48 0.24 5.22 0.40 0.60 0.03 117.98 126.05 3mb7 s PHE 54 Ca -0.10 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 3mb7 s PHE 54 Cb -0.16 -0.89 -0.09 0.00 0.51 0.00 0.00 43.02 42.40 3mb7 s PHE 54 CO 0.06 0.05 1.05 -2.00 0.70 0.00 0.00 175.22 175.07 3mb7 s GLU 55 N -1.01 4.69 0.27 0.44 2.12 0.47 -0.61 118.70 125.08 3mb7 s GLU 55 Ca 0.05 1.68 -0.03 0.00 0.36 0.00 0.00 54.97 57.03 3mb7 s GLU 55 Cb -0.08 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3mb7 s GLU 55 CO 0.01 0.26 0.33 0.00 -0.54 0.00 0.00 175.26 175.32 3mb7 s ALA 56 N -0.88 0.84 -0.05 6.30 0.00 0.21 -0.35 121.76 127.83 3mb7 s ALA 56 Ca 0.45 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3mb7 s ALA 56 Cb -0.29 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3mb7 s ALA 56 CO 0.37 -0.72 -0.20 -1.50 0.00 0.00 0.00 175.76 173.70 3mb7 s ILE 57 N -3.70 1.69 -0.46 0.00 2.07 -0.13 -0.72 121.20 119.95 3mb7 s ILE 57 Ca 0.33 -0.87 -0.26 0.00 -1.41 0.00 0.00 60.65 58.45 3mb7 s ILE 57 Cb 0.02 -1.44 0.03 0.00 0.13 0.00 0.00 42.46 41.21 3mb7 s ILE 57 CO 0.16 0.48 0.94 0.21 -1.91 0.00 0.00 174.94 174.82 3mb7 s ASN 58 N -0.09 6.52 0.09 4.50 3.84 0.48 -1.49 114.94 128.79 3mb7 s ASN 58 Ca -0.03 0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.45 3mb7 s ASN 58 Cb -0.12 -2.46 0.96 0.00 -0.55 0.00 0.00 41.25 39.08 3mb7 s ASN 58 CO 0.02 -1.06 1.76 2.30 -2.79 0.00 0.00 177.10 177.33 3mb7 n ILE 59 N 6.44 0.49 -0.09 -5.21 -5.35 0.31 0.01 119.36 115.96 3mb7 n ILE 59 Ca 0.07 0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 3mb7 n ILE 59 Cb 0.49 -0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 37.62 3mb7 n ILE 59 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3mb7 h THR 60 N 0.00 1.29 0.00 7.28 2.02 -1.91 -3.37 112.91 118.22 3mb7 h THR 60 Ca 0.00 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3mb7 h THR 60 Cb 0.48 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3mb7 h THR 60 CO 0.00 0.52 0.00 -0.46 0.37 0.00 0.00 175.52 175.95 3mb7 n ASN 61 N -4.12 1.12 -2.07 4.18 0.23 -1.09 -5.00 115.26 108.51 3mb7 n ASN 61 Ca -0.04 -1.21 -0.17 0.00 -0.53 0.00 0.00 54.58 52.63 3mb7 n ASN 61 Cb 0.55 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.22 3mb7 n ASN 61 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mb7 n ASN 62 N -0.11 -4.75 -4.83 0.53 5.03 0.10 -4.98 115.26 106.25 3mb7 n ASN 62 Ca 0.00 0.21 -0.38 0.00 0.87 0.00 0.00 54.58 55.28 3mb7 n ASN 62 Cb 0.08 -4.10 -0.06 0.00 -1.02 0.00 0.00 39.78 34.69 3mb7 n ASN 62 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3mb7 s GLU 63 N -4.43 3.94 0.35 3.52 2.12 -1.13 -4.85 118.70 118.22 3mb7 s GLU 63 Ca 0.00 0.45 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 3mb7 s GLU 63 Cb 0.00 -3.22 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 3mb7 s GLU 63 CO 0.00 0.68 1.29 0.15 -0.54 0.00 0.00 175.26 176.85 3mb7 s LYS 64 N -1.10 4.24 0.20 4.30 1.02 -1.26 -0.39 119.74 126.75 3mb7 s LYS 64 Ca 0.25 2.17 -0.03 0.00 0.02 0.00 0.00 55.97 58.38 3mb7 s LYS 64 Cb -0.17 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3mb7 s LYS 64 CO 0.14 -0.27 0.18 0.14 -0.92 0.00 0.00 175.35 174.62 3mb7 s VAL 65 N -1.19 0.01 -0.11 3.17 -7.23 0.11 -3.95 120.40 111.21 3mb7 s VAL 65 Ca 0.51 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 3mb7 s VAL 65 Cb -0.39 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 3mb7 s VAL 65 CO 0.51 -0.02 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.38 3mb7 s VAL 66 N -4.13 2.36 -0.19 1.32 1.01 -0.33 -0.62 120.40 119.82 3mb7 s VAL 66 Ca 0.36 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3mb7 s VAL 66 Cb 0.06 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3mb7 s VAL 66 CO 0.11 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3mb7 s VAL 67 N 0.34 2.87 -0.34 2.92 1.01 0.22 -0.49 120.40 126.94 3mb7 s VAL 67 Ca -0.17 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3mb7 s VAL 67 Cb -0.17 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 33.98 3mb7 s VAL 67 CO 0.08 0.48 0.12 -0.75 0.00 0.00 0.00 175.10 175.03 3mb7 s LYS 68 N 1.17 2.68 -0.36 2.72 2.20 0.36 -0.29 119.74 128.22 3mb7 s LYS 68 Ca 0.01 -1.14 -0.20 0.00 -0.36 0.00 0.00 55.97 54.29 3mb7 s LYS 68 Cb -0.14 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3mb7 s LYS 68 CO -0.04 -0.66 0.60 0.42 -0.36 0.00 0.00 175.35 175.31 3mb7 s ILE 69 N 1.43 4.92 0.51 5.43 1.01 0.39 -0.66 121.20 134.24 3mb7 s ILE 69 Ca -0.01 0.48 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 3mb7 s ILE 69 Cb -0.19 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 3mb7 s ILE 69 CO 0.03 -0.31 1.00 -0.76 0.00 0.00 0.00 174.94 174.91 3mb7 s LEU 70 N 2.62 3.69 -0.36 2.97 1.43 -0.45 -1.89 118.68 126.69 3mb7 s LEU 70 Ca 0.23 1.70 0.12 0.00 -1.03 0.00 0.00 54.13 55.14 3mb7 s LEU 70 Cb -0.15 -4.53 0.41 0.00 0.03 0.00 0.00 46.19 41.95 3mb7 s LEU 70 CO 0.15 -0.69 1.40 0.29 0.23 0.00 0.00 176.35 177.72 3mb7 n LYS 71 N -1.40 1.29 -2.56 1.70 5.02 0.28 -4.67 118.16 117.82 3mb7 n LYS 71 Ca 0.08 -1.74 -0.36 0.00 -2.02 0.00 0.00 58.31 54.27 3mb7 n LYS 71 Cb 0.54 0.01 -0.04 0.00 -0.02 0.00 0.00 35.03 35.51 3mb7 n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3mb7 s PRO 72 N -0.23 4.15 0.07 1.97 0.04 -1.19 -4.70 135.00 135.12 3mb7 s PRO 72 Ca 0.17 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 3mb7 s PRO 72 Cb 0.42 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 3mb7 s PRO 72 CO -0.10 -0.14 1.39 0.28 0.04 0.00 0.00 177.00 178.46 3mb7 h VAL 73 N 2.15 1.32 -2.43 -0.36 2.07 -1.93 -3.35 116.25 113.72 3mb7 h VAL 73 Ca -0.48 -1.40 -0.57 0.00 0.82 0.00 0.00 66.70 65.06 3mb7 h VAL 73 Cb 1.21 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 3mb7 h VAL 73 CO 0.62 0.43 0.89 -0.54 0.02 0.00 0.00 177.57 178.99 3mb7 s LYS 74 N -4.33 3.18 0.20 1.57 1.02 -1.26 -4.90 119.74 115.22 3mb7 s LYS 74 Ca -0.13 -0.49 0.23 0.00 0.02 0.00 0.00 55.97 55.60 3mb7 s LYS 74 Cb 0.07 -4.24 0.91 0.00 -0.52 0.00 0.00 37.83 34.05 3mb7 s LYS 74 CO 0.80 -2.03 1.71 1.63 -0.92 0.00 0.00 175.35 176.54 3mb7 n LYS 75 N 8.74 0.18 0.27 1.68 5.02 -1.26 -2.42 118.16 130.37 3mb7 n LYS 75 Ca 0.02 0.32 0.16 0.00 -2.02 0.00 0.00 58.31 56.79 3mb7 n LYS 75 Cb 0.48 -1.79 0.70 0.00 -0.02 0.00 0.00 35.03 34.40 3mb7 n LYS 75 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3mb7 h LYS 76 N 0.00 0.00 0.00 1.97 2.10 -1.93 -2.65 116.57 116.06 3mb7 h LYS 76 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3mb7 h LYS 76 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 3mb7 h LYS 76 CO 0.00 0.05 -0.06 0.87 -2.00 0.00 0.00 179.45 178.31 3mb7 h LYS 77 N 0.00 0.00 0.54 0.07 1.57 -1.89 -2.58 116.57 114.27 3mb7 h LYS 77 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mb7 h LYS 77 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3mb7 h LYS 77 CO 0.01 0.06 -0.26 0.82 -0.57 0.00 0.00 179.45 179.51 3mb7 h ILE 78 N 0.00 0.46 -0.66 1.86 2.04 -1.68 -1.48 117.51 118.05 3mb7 h ILE 78 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3mb7 h ILE 78 Cb 0.14 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3mb7 h ILE 78 CO 0.01 0.02 0.42 0.11 0.00 0.00 0.00 178.15 178.71 3mb7 h LYS 79 N -0.79 0.88 -0.09 2.37 1.57 -1.68 -1.53 116.57 117.30 3mb7 h LYS 79 Ca -0.07 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3mb7 h LYS 79 Cb 0.58 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3mb7 h LYS 79 CO 0.12 0.60 0.05 -0.09 -0.57 0.00 0.00 179.45 179.56 3mb7 h ARG 80 N 0.90 0.13 -0.46 3.15 2.43 -1.35 0.61 114.38 119.80 3mb7 h ARG 80 Ca 0.24 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3mb7 h ARG 80 Cb -0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3mb7 h ARG 80 CO -0.05 0.16 0.09 1.49 -1.51 0.00 0.00 179.97 180.15 3mb7 h GLU 81 N 0.07 0.75 -0.35 0.20 4.81 -1.03 -0.84 114.58 118.18 3mb7 h GLU 81 Ca 0.03 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3mb7 h GLU 81 Cb 0.07 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3mb7 h GLU 81 CO -0.01 0.76 0.19 0.82 -0.73 0.00 0.00 179.01 180.04 3mb7 h ILE 82 N 0.62 1.15 -0.45 2.32 2.04 -1.19 -1.12 117.51 120.88 3mb7 h ILE 82 Ca 0.14 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3mb7 h ILE 82 Cb 0.36 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3mb7 h ILE 82 CO 0.01 0.15 0.02 0.50 0.00 0.00 0.00 178.15 178.83 3mb7 h LYS 83 N 0.44 0.77 -0.04 2.37 1.63 -0.72 -1.52 116.57 119.50 3mb7 h LYS 83 Ca 0.12 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3mb7 h LYS 83 Cb 0.07 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3mb7 h LYS 83 CO -0.02 0.82 0.02 0.82 -3.45 0.00 0.00 179.45 177.65 3mb7 h ILE 84 N 0.62 1.02 -0.98 2.00 2.04 -1.08 0.73 117.51 121.86 3mb7 h ILE 84 Ca 0.13 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3mb7 h ILE 84 Cb 0.46 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 3mb7 h ILE 84 CO 0.02 0.02 0.63 -0.07 0.00 0.00 0.00 178.15 178.74 3mb7 h LEU 85 N 0.04 0.92 -0.20 1.44 3.38 -1.07 -0.94 115.31 118.89 3mb7 h LEU 85 Ca 0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3mb7 h LEU 85 Cb 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3mb7 h LEU 85 CO -0.00 0.51 -0.27 -0.33 0.09 0.00 0.00 178.44 178.44 3mb7 h GLU 86 N 1.00 0.54 -0.82 1.13 5.08 -0.95 -1.77 114.58 118.78 3mb7 h GLU 86 Ca 0.47 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3mb7 h GLU 86 Cb 0.43 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3mb7 h GLU 86 CO -0.23 0.91 0.54 -0.91 -1.00 0.00 0.00 179.01 178.32 3mb7 h ASN 87 N 0.21 0.85 0.12 1.42 2.35 -0.39 -2.95 115.58 117.20 3mb7 h ASN 87 Ca 0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3mb7 h ASN 87 Cb 0.84 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3mb7 h ASN 87 CO 0.06 0.57 -0.41 0.18 -1.65 0.00 0.00 177.43 176.19 3mb7 n LEU 88 N -4.46 1.44 -4.71 1.61 4.77 -0.40 -4.98 117.00 110.28 3mb7 n LEU 88 Ca 0.11 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 55.18 3mb7 n LEU 88 Cb 0.15 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3mb7 n LEU 88 CO 0.34 0.27 1.26 -1.14 -1.33 0.00 0.00 177.39 176.79 3mb7 n ARG 89 N -0.46 2.52 -0.31 3.23 0.63 -0.67 -1.58 116.66 120.02 3mb7 n ARG 89 Ca 0.10 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 3mb7 n ARG 89 Cb 0.40 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.61 3mb7 n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mb7 n GLY 90 N 3.21 1.38 3.76 5.14 0.00 -1.26 -5.06 105.19 112.36 3mb7 n GLY 90 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3mb7 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mb7 s GLY 91 N -1.82 1.90 0.01 -0.02 0.00 -0.62 -4.92 107.32 101.85 3mb7 s GLY 91 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 44.72 44.81 3mb7 s GLY 91 CO 0.00 0.77 1.89 -1.05 0.00 0.00 0.00 173.10 174.71 3mb7 n PRO 92 N -3.05 2.53 -1.43 2.90 -0.02 -1.26 -2.53 135.00 132.15 3mb7 n PRO 92 Ca 0.10 0.93 -0.15 0.00 -2.02 0.00 0.00 63.50 62.36 3mb7 n PRO 92 Cb 0.52 -2.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 3mb7 n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mb7 n ASN 93 N 6.62 -5.18 -4.70 2.55 3.02 -1.26 -3.58 115.26 112.73 3mb7 n ASN 93 Ca 0.21 0.36 -0.39 0.00 -0.03 0.00 0.00 54.58 54.73 3mb7 n ASN 93 Cb 0.35 -3.98 -0.06 0.00 -0.61 0.00 0.00 39.78 35.48 3mb7 n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mb7 s ILE 94 N -2.41 5.13 0.24 2.41 -1.09 -1.05 -0.51 121.20 123.92 3mb7 s ILE 94 Ca 0.00 1.03 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 3mb7 s ILE 94 Cb 0.00 -3.86 -0.14 0.00 -1.58 0.00 0.00 42.46 36.88 3mb7 s ILE 94 CO 0.00 0.25 1.35 0.00 -1.23 0.00 0.00 174.94 175.31 3mb7 n ILE 95 N 4.06 1.07 -3.08 2.92 0.13 -1.08 -4.75 119.36 118.63 3mb7 n ILE 95 Ca -0.05 -0.27 -0.40 0.00 -1.10 0.00 0.00 62.75 60.93 3mb7 n ILE 95 Cb 0.51 -1.40 -0.05 0.00 -0.84 0.00 0.00 39.64 37.86 3mb7 n ILE 95 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 3mb7 s THR 96 N -0.20 5.00 -0.38 9.51 2.01 -1.26 -4.87 115.64 125.45 3mb7 s THR 96 Ca 0.67 1.28 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 3mb7 s THR 96 Cb -0.67 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 67.88 3mb7 s THR 96 CO 0.51 0.11 1.21 -0.22 -0.69 0.00 0.00 174.62 175.54 3mb7 s LEU 97 N 1.83 3.77 0.02 4.42 2.96 -1.26 -1.86 118.68 128.56 3mb7 s LEU 97 Ca 0.31 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.18 3mb7 s LEU 97 Cb -0.16 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 3mb7 s LEU 97 CO 0.11 -1.14 0.92 0.00 -1.32 0.00 0.00 176.35 174.92 3mb7 h ALA 98 N 9.16 0.56 -2.39 5.97 0.00 0.23 -3.49 119.26 129.31 3mb7 h ALA 98 Ca -0.24 -1.22 0.12 0.00 0.00 0.00 0.00 54.91 53.58 3mb7 h ALA 98 Cb 1.08 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 3mb7 h ALA 98 CO 1.07 1.41 0.46 0.34 0.00 0.00 0.00 179.25 182.53 3mb7 s ASP 99 N -6.42 -0.31 -0.08 0.00 -1.08 -1.00 -5.00 116.67 102.78 3mb7 s ASP 99 Ca -0.03 -0.17 -0.01 0.00 -0.52 0.00 0.00 52.55 51.82 3mb7 s ASP 99 Cb 0.09 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 42.03 3mb7 s ASP 99 CO 0.82 -0.78 -0.01 -0.63 0.52 0.00 0.00 175.17 175.09 3mb7 s ILE 100 N -3.26 0.47 0.17 4.11 1.01 -1.26 -0.85 121.20 121.59 3mb7 s ILE 100 Ca 0.08 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.84 3mb7 s ILE 100 Cb -0.01 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3mb7 s ILE 100 CO -0.05 0.27 -0.13 0.68 0.00 0.00 0.00 174.94 175.72 3mb7 s VAL 101 N 1.90 1.44 -0.25 2.92 -7.23 -0.59 0.27 120.40 118.86 3mb7 s VAL 101 Ca 0.04 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 3mb7 s VAL 101 Cb -0.12 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 3mb7 s VAL 101 CO -0.05 -0.62 0.61 -0.75 -0.31 0.00 0.00 175.10 173.97 3mb7 s LYS 102 N -3.50 4.11 0.02 4.82 2.20 -1.26 0.16 119.74 126.28 3mb7 s LYS 102 Ca 0.18 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 3mb7 s LYS 102 Cb -0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3mb7 s LYS 102 CO 0.04 -0.39 1.15 0.34 -0.36 0.00 0.00 175.35 176.12 3mb7 s ASP 103 N 1.47 7.13 0.40 1.43 2.15 -0.61 -4.71 116.67 123.93 3mb7 s ASP 103 Ca 0.25 1.88 0.21 0.00 0.43 0.00 0.00 52.55 55.32 3mb7 s ASP 103 Cb -0.16 -2.57 0.79 0.00 -0.30 0.00 0.00 42.92 40.68 3mb7 s ASP 103 CO 0.09 -0.46 1.78 1.55 -0.17 0.00 0.00 175.17 177.96 3mb7 h PRO 104 N 6.97 0.00 0.01 4.34 0.13 -1.96 0.17 132.00 141.66 3mb7 h PRO 104 Ca -0.39 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 3mb7 h PRO 104 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3mb7 h PRO 104 CO 0.82 0.31 -0.74 0.28 -0.23 0.00 0.00 178.00 178.44 3mb7 h VAL 105 N 0.00 1.30 0.00 1.56 2.07 -1.96 -3.36 116.25 115.86 3mb7 h VAL 105 Ca -0.00 -2.27 -0.13 0.00 0.82 0.00 0.00 66.70 65.11 3mb7 h VAL 105 Cb 0.82 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 3mb7 h VAL 105 CO 0.04 0.47 -0.62 0.77 0.02 0.00 0.00 177.57 178.25 3mb7 h SER 106 N -0.94 0.00 -0.99 0.57 4.64 -1.99 -3.47 113.55 111.37 3mb7 h SER 106 Ca -0.20 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.74 3mb7 h SER 106 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 3mb7 h SER 106 CO -0.10 0.62 -0.35 0.54 -0.87 0.00 0.00 176.83 176.67 3mb7 n ARG 107 N -3.47 -1.30 -4.26 4.77 1.74 0.60 -5.01 116.66 109.72 3mb7 n ARG 107 Ca 0.00 1.14 -0.23 0.00 -0.77 0.00 0.00 57.85 57.99 3mb7 n ARG 107 Cb 0.70 -5.44 -0.07 0.00 -1.02 0.00 0.00 32.46 26.62 3mb7 n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mb7 s THR 108 N -2.70 3.12 0.37 0.55 -4.23 -1.24 -4.86 115.64 106.65 3mb7 s THR 108 Ca 0.00 -1.89 -0.28 0.00 -1.18 0.00 0.00 61.69 58.34 3mb7 s THR 108 Cb 0.00 -2.85 -0.10 0.00 1.34 0.00 0.00 72.50 70.89 3mb7 s THR 108 CO 0.00 -0.29 1.41 -2.84 -0.54 0.00 0.00 174.62 172.36 3mb7 s PRO 109 N -3.72 4.13 -0.19 3.99 0.02 -1.26 -1.58 135.00 136.39 3mb7 s PRO 109 Ca 0.34 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.79 3mb7 s PRO 109 Cb -0.04 -2.95 0.03 0.00 0.02 0.00 0.00 34.50 31.56 3mb7 s PRO 109 CO 0.20 -0.46 -0.18 0.00 -0.33 0.00 0.00 177.00 176.24 3mb7 s ALA 110 N -1.15 2.33 -0.06 -1.55 0.00 0.12 -1.34 121.76 120.11 3mb7 s ALA 110 Ca 0.53 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 3mb7 s ALA 110 Cb -0.44 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3mb7 s ALA 110 CO 0.58 -0.49 0.66 -0.51 0.00 0.00 0.00 175.76 176.00 3mb7 s LEU 111 N 1.28 4.32 -0.21 0.00 1.43 0.17 -1.54 118.68 124.13 3mb7 s LEU 111 Ca 0.03 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.21 3mb7 s LEU 111 Cb -0.14 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 3mb7 s LEU 111 CO -0.12 -0.07 0.01 -0.69 0.23 0.00 0.00 176.35 175.71 3mb7 s VAL 112 N 0.65 3.98 0.19 -1.59 1.01 -0.03 -0.49 120.40 124.13 3mb7 s VAL 112 Ca 0.35 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.14 3mb7 s VAL 112 Cb -0.17 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3mb7 s VAL 112 CO 0.17 0.41 -0.21 -0.36 0.00 0.00 0.00 175.10 175.11 3mb7 s PHE 113 N 1.12 2.37 0.46 5.22 0.08 0.36 0.93 117.98 128.53 3mb7 s PHE 113 Ca 0.03 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.51 3mb7 s PHE 113 Cb -0.14 -1.16 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 3mb7 s PHE 113 CO 0.02 0.51 1.20 -0.85 -0.10 0.00 0.00 175.22 176.00 3mb7 n GLU 114 N 0.19 1.67 -2.79 0.44 0.28 -0.78 -1.19 120.64 118.47 3mb7 n GLU 114 Ca -0.12 0.60 -0.37 0.00 -0.16 0.00 0.00 57.16 57.12 3mb7 n GLU 114 Cb 0.56 -2.33 -0.06 0.00 1.43 0.00 0.00 31.44 31.04 3mb7 n GLU 114 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3mb7 s HIS 115 N -1.26 3.67 -0.08 -1.84 5.65 -1.25 -4.49 115.29 115.69 3mb7 s HIS 115 Ca 0.65 1.77 0.03 0.00 0.25 0.00 0.00 55.06 57.76 3mb7 s HIS 115 Cb -0.49 -2.91 0.00 0.00 -1.18 0.00 0.00 32.58 28.00 3mb7 s HIS 115 CO 0.55 0.20 -0.19 0.08 -0.65 0.00 0.00 174.74 174.73 3mb7 s VAL 116 N -1.64 1.63 -1.24 0.89 1.01 -1.26 -5.04 120.40 114.75 3mb7 s VAL 116 Ca 0.51 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3mb7 s VAL 116 Cb -0.18 -1.42 0.15 0.00 0.00 0.00 0.00 36.38 34.92 3mb7 s VAL 116 CO 0.23 0.46 1.53 -3.20 0.00 0.00 0.00 175.10 174.12 3mb7 n ASN 117 N 3.55 5.15 -4.80 3.32 5.15 -1.26 -4.99 115.26 121.38 3mb7 n ASN 117 Ca -0.20 -2.97 -0.35 0.00 -0.60 0.00 0.00 54.58 50.46 3mb7 n ASN 117 Cb 0.52 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.10 3mb7 n ASN 117 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3mb7 s ASN 118 N 3.13 7.13 -0.06 1.20 2.20 -1.26 -4.22 114.94 123.07 3mb7 s ASN 118 Ca 0.46 1.67 -0.23 0.00 -0.94 0.00 0.00 52.86 53.82 3mb7 s ASN 118 Cb -0.01 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.68 3mb7 s ASN 118 CO 0.02 -0.14 0.67 -0.89 -2.94 0.00 0.00 177.10 173.82 3mb7 s THR 119 N -1.78 5.03 0.15 0.54 2.01 -0.15 -4.96 115.64 116.49 3mb7 s THR 119 Ca 0.52 1.37 -0.33 0.00 0.31 0.00 0.00 61.69 63.57 3mb7 s THR 119 Cb -0.15 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.23 3mb7 s THR 119 CO 0.20 0.28 1.68 -0.67 -0.69 0.00 0.00 174.62 175.43 3mb7 n ASP 120 N 3.60 3.54 -0.20 3.53 2.03 -1.26 -4.70 116.55 123.09 3mb7 n ASP 120 Ca -0.03 1.05 -0.01 0.00 0.52 0.00 0.00 54.79 56.33 3mb7 n ASP 120 Cb 0.51 -1.49 0.22 0.00 -0.72 0.00 0.00 41.12 39.64 3mb7 n ASP 120 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3mb7 h PHE 121 N 6.80 0.94 -0.45 -0.67 -0.00 -1.95 0.53 116.94 122.14 3mb7 h PHE 121 Ca -0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 57.51 3mb7 h PHE 121 Cb 1.23 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.86 3mb7 h PHE 121 CO 0.67 0.65 0.28 0.87 -0.00 0.00 0.00 178.31 180.78 3mb7 h LYS 122 N 0.97 0.60 -0.20 6.09 1.57 -1.99 0.12 116.57 123.73 3mb7 h LYS 122 Ca 0.25 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3mb7 h LYS 122 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3mb7 h LYS 122 CO -0.04 0.43 0.01 0.37 -0.57 0.00 0.00 179.45 179.65 3mb7 h GLN 123 N 0.60 0.34 -0.21 3.15 4.15 -1.81 -3.29 115.11 118.05 3mb7 h GLN 123 Ca 0.16 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3mb7 h GLN 123 Cb -0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3mb7 h GLN 123 CO -0.03 0.53 0.08 1.25 -1.93 0.00 0.00 178.83 178.72 3mb7 h LEU 124 N 0.11 0.29 -1.86 -2.39 5.85 -0.53 -2.79 115.31 113.98 3mb7 h LEU 124 Ca 0.06 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.68 3mb7 h LEU 124 Cb 0.36 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3mb7 h LEU 124 CO 0.01 0.38 0.25 1.88 -0.34 0.00 0.00 178.44 180.62 3mb7 h TYR 125 N 0.18 0.17 0.00 1.25 -1.99 -0.89 0.15 116.97 115.84 3mb7 h TYR 125 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3mb7 h TYR 125 Cb 0.18 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.86 3mb7 h TYR 125 CO -0.01 0.09 0.00 0.94 -0.00 0.00 0.00 178.16 179.18 3mb7 n GLN 126 N -4.47 0.13 -0.00 4.88 -0.06 -1.05 -3.12 117.38 113.70 3mb7 n GLN 126 Ca 0.05 0.44 0.03 0.00 -2.00 0.00 0.00 57.00 55.52 3mb7 n GLN 126 Cb 0.32 -1.80 -0.04 0.00 -4.06 0.00 0.00 30.24 24.66 3mb7 n GLN 126 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3mb7 n THR 127 N -2.06 0.00 -1.78 1.69 -2.24 0.50 -5.03 114.28 105.36 3mb7 n THR 127 Ca 0.01 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3mb7 n THR 127 Cb 0.16 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 3mb7 n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mb7 s LEU 128 N -2.52 4.37 0.67 3.22 1.43 -0.94 -5.00 118.68 119.90 3mb7 s LEU 128 Ca 0.01 2.80 -0.07 0.00 -1.03 0.00 0.00 54.13 55.85 3mb7 s LEU 128 Cb 0.04 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.70 3mb7 s LEU 128 CO 0.24 -0.94 0.99 0.42 0.23 0.00 0.00 176.35 177.30 3mb7 s THR 129 N 1.19 2.90 0.19 5.49 -4.23 -1.26 -4.91 115.64 115.02 3mb7 s THR 129 Ca 0.74 -0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 61.04 3mb7 s THR 129 Cb -0.48 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.28 3mb7 s THR 129 CO 0.32 -0.24 1.69 -0.78 -0.54 0.00 0.00 174.62 175.07 3mb7 h ASP 130 N -0.47 -0.13 -0.60 3.99 3.58 -1.91 -0.83 116.42 120.04 3mb7 h ASP 130 Ca -0.45 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 3mb7 h ASP 130 Cb 1.29 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.50 3mb7 h ASP 130 CO 0.61 -0.04 0.30 0.22 -2.88 0.00 0.00 179.24 177.45 3mb7 h TYR 131 N 0.17 0.85 -0.96 0.28 3.20 -1.94 -2.41 116.97 116.15 3mb7 h TYR 131 Ca 0.27 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3mb7 h TYR 131 Cb 0.40 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3mb7 h TYR 131 CO -0.29 0.64 0.64 -0.44 -1.64 0.00 0.00 178.16 177.07 3mb7 h ASP 132 N 0.81 1.10 -0.32 -2.11 3.32 -1.74 -0.05 116.42 117.44 3mb7 h ASP 132 Ca 0.21 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3mb7 h ASP 132 Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3mb7 h ASP 132 CO -0.03 0.80 0.06 0.40 -1.72 0.00 0.00 179.24 178.75 3mb7 h ILE 133 N 1.30 1.23 -0.38 0.35 2.04 -0.80 -0.06 117.51 121.20 3mb7 h ILE 133 Ca 0.35 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3mb7 h ILE 133 Cb -0.15 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3mb7 h ILE 133 CO -0.08 0.26 0.21 0.03 0.00 0.00 0.00 178.15 178.57 3mb7 h ARG 134 N 0.35 0.52 0.30 2.37 3.08 -1.21 -0.53 114.38 119.27 3mb7 h ARG 134 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3mb7 h ARG 134 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3mb7 h ARG 134 CO 0.00 0.42 -0.21 0.35 -1.07 0.00 0.00 179.97 179.47 3mb7 h PHE 135 N 0.48 -0.54 -0.08 3.04 3.57 -0.73 -2.00 116.94 120.68 3mb7 h PHE 135 Ca 0.13 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3mb7 h PHE 135 Cb 0.05 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3mb7 h PHE 135 CO -0.03 -0.32 -0.45 1.88 -2.23 0.00 0.00 178.31 177.17 3mb7 h TYR 136 N -0.50 0.22 -0.83 0.41 0.05 -0.98 -2.33 116.97 113.00 3mb7 h TYR 136 Ca -0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3mb7 h TYR 136 Cb 0.43 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 3mb7 h TYR 136 CO -0.11 0.60 0.49 0.52 -1.05 0.00 0.00 178.16 178.61 3mb7 h MET 137 N 0.15 1.14 -0.55 4.88 2.86 -0.94 -1.08 114.93 121.39 3mb7 h MET 137 Ca 0.01 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3mb7 h MET 137 Cb 0.85 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3mb7 h MET 137 CO 0.07 0.81 0.22 -0.92 1.06 0.00 0.00 176.91 178.15 3mb7 h TYR 138 N 1.15 0.84 -0.82 -0.22 3.20 -1.08 -0.85 116.97 119.20 3mb7 h TYR 138 Ca 0.30 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3mb7 h TYR 138 Cb -0.02 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 3mb7 h TYR 138 CO -0.00 0.68 0.53 0.93 -1.64 0.00 0.00 178.16 178.66 3mb7 h GLU 139 N 0.75 1.03 -0.63 1.82 4.39 -1.04 -1.33 114.58 119.58 3mb7 h GLU 139 Ca 0.18 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 3mb7 h GLU 139 Cb 0.20 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3mb7 h GLU 139 CO -0.02 0.68 0.15 0.82 -1.16 0.00 0.00 179.01 179.49 3mb7 h ILE 140 N 1.06 1.26 -0.87 3.13 2.04 -0.81 -2.85 117.51 120.47 3mb7 h ILE 140 Ca 0.31 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3mb7 h ILE 140 Cb -0.07 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3mb7 h ILE 140 CO -0.09 0.35 0.53 -0.07 0.00 0.00 0.00 178.15 178.88 3mb7 h LEU 141 N 0.93 1.03 -0.50 1.44 3.38 -0.62 -1.12 115.31 119.85 3mb7 h LEU 141 Ca 0.20 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3mb7 h LEU 141 Cb 0.37 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3mb7 h LEU 141 CO 0.00 0.78 0.17 0.11 0.09 0.00 0.00 178.44 179.59 3mb7 h LYS 142 N 1.19 0.32 -0.64 1.13 1.57 -1.03 0.64 116.57 119.76 3mb7 h LYS 142 Ca 0.31 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3mb7 h LYS 142 Cb -0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3mb7 h LYS 142 CO -0.06 0.21 0.13 0.00 -0.57 0.00 0.00 179.45 179.17 3mb7 h ALA 143 N 1.34 0.84 -0.17 3.86 0.00 -1.20 -2.01 119.26 121.93 3mb7 h ALA 143 Ca 0.24 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3mb7 h ALA 143 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mb7 h ALA 143 CO -0.26 0.58 -0.53 -0.07 0.00 0.00 0.00 179.25 178.97 3mb7 h LEU 144 N 0.95 0.76 -1.03 0.00 3.38 -0.88 -1.74 115.31 116.75 3mb7 h LEU 144 Ca 0.20 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3mb7 h LEU 144 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3mb7 h LEU 144 CO 0.01 1.22 0.17 -0.78 0.09 0.00 0.00 178.44 179.14 3mb7 h ASP 145 N 0.33 0.80 0.55 -0.43 3.58 -0.89 -0.55 116.42 119.81 3mb7 h ASP 145 Ca -0.02 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 3mb7 h ASP 145 Cb 1.15 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.00 3mb7 h ASP 145 CO 0.11 0.76 -0.26 0.22 -2.88 0.00 0.00 179.24 177.19 3mb7 h TYR 146 N 0.83 -0.68 -0.65 0.28 3.20 -1.22 -0.78 116.97 117.95 3mb7 h TYR 146 Ca 0.19 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3mb7 h TYR 146 Cb 0.26 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 3mb7 h TYR 146 CO 0.02 -0.42 0.08 0.00 -1.64 0.00 0.00 178.16 176.19 3mb7 h HIS 148 N 1.02 0.92 0.00 0.00 3.86 -0.97 -1.09 115.15 118.89 3mb7 h HIS 148 Ca 0.20 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3mb7 h HIS 148 Cb 0.47 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 3mb7 h HIS 148 CO 0.03 0.50 -0.12 0.66 0.86 0.00 0.00 177.93 179.86 3mb7 h SER 149 N 0.94 0.00 -0.39 2.45 4.64 -0.54 -0.57 113.55 120.09 3mb7 h SER 149 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3mb7 h SER 149 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3mb7 h SER 149 CO -0.14 0.12 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 3mb7 n MET 150 N -3.54 2.06 -0.97 4.77 2.81 -0.56 -4.94 117.12 116.76 3mb7 n MET 150 Ca -0.01 -1.63 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 3mb7 n MET 150 Cb 0.27 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3mb7 n MET 150 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mb7 n GLY 151 N 1.26 0.47 3.08 3.03 0.00 -0.22 -4.93 105.19 107.88 3mb7 n GLY 151 Ca 0.16 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 3mb7 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mb7 s ILE 152 N -2.00 1.40 -0.11 -0.61 1.01 -0.52 -0.47 121.20 119.90 3mb7 s ILE 152 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3mb7 s ILE 152 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3mb7 s ILE 152 CO 0.00 0.41 0.03 0.00 0.00 0.00 0.00 174.94 175.38 3mb7 s MET 153 N 0.53 3.24 -0.03 2.79 0.23 -0.11 -2.92 119.30 123.03 3mb7 s MET 153 Ca -0.15 -0.36 -0.25 0.00 -1.03 0.00 0.00 55.69 53.90 3mb7 s MET 153 Cb -0.16 -2.92 -0.21 0.00 -1.53 0.00 0.00 34.83 30.01 3mb7 s MET 153 CO 0.05 0.62 1.14 1.25 -2.03 0.00 0.00 175.02 176.05 3mb7 h HIS 154 N 5.46 0.18 0.00 3.16 2.76 -1.92 -1.14 115.15 123.65 3mb7 h HIS 154 Ca -0.48 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.61 3mb7 h HIS 154 Cb 1.19 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3mb7 h HIS 154 CO 0.63 0.76 0.00 0.54 -1.30 0.00 0.00 177.93 178.57 3mb7 n ARG 155 N -4.64 -0.78 -2.77 5.26 1.74 -1.26 -2.71 116.66 111.50 3mb7 n ARG 155 Ca -0.09 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 3mb7 n ARG 155 Cb 0.39 -3.95 0.08 0.00 -1.02 0.00 0.00 32.46 27.95 3mb7 n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mb7 n ASP 156 N -0.39 0.48 -4.68 0.55 2.03 -1.26 -0.99 116.55 112.29 3mb7 n ASP 156 Ca 0.00 -2.15 -0.42 0.00 0.52 0.00 0.00 54.79 52.74 3mb7 n ASP 156 Cb 0.20 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 3mb7 n ASP 156 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mb7 s VAL 157 N -2.37 3.65 0.05 5.18 1.01 -1.26 -4.78 120.40 121.87 3mb7 s VAL 157 Ca 0.21 0.94 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 3mb7 s VAL 157 Cb 0.37 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 33.24 3mb7 s VAL 157 CO -0.06 -0.04 0.91 -1.59 0.00 0.00 0.00 175.10 174.31 3mb7 s LYS 158 N 3.13 0.96 0.26 2.72 -2.85 -1.26 -4.79 119.74 117.91 3mb7 s LYS 158 Ca 0.67 -0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 55.20 3mb7 s LYS 158 Cb -0.32 0.39 0.53 0.00 -2.06 0.00 0.00 37.83 36.37 3mb7 s LYS 158 CO 0.27 -0.43 1.77 -1.35 0.10 0.00 0.00 175.35 175.71 3mb7 h PRO 159 N 2.00 0.65 -0.46 1.78 0.11 -1.93 -0.90 132.00 133.25 3mb7 h PRO 159 Ca -0.23 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3mb7 h PRO 159 Cb 1.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3mb7 h PRO 159 CO 0.29 0.43 0.24 1.25 -0.21 0.00 0.00 178.00 180.00 3mb7 h HIS 160 N 0.67 0.61 -0.00 0.65 -0.00 -1.97 -2.20 115.15 112.91 3mb7 h HIS 160 Ca 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.83 3mb7 h HIS 160 Cb 0.62 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3mb7 h HIS 160 CO -0.08 0.44 -0.03 0.09 -0.00 0.00 0.00 177.93 178.35 3mb7 n ASN 161 N -4.41 0.50 -4.13 3.26 3.02 -0.36 -4.29 115.26 108.85 3mb7 n ASN 161 Ca 0.04 -0.95 -0.38 0.00 -0.03 0.00 0.00 54.58 53.26 3mb7 n ASN 161 Cb 0.10 -0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 3mb7 n ASN 161 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mb7 s VAL 162 N -2.17 4.05 -0.26 2.41 1.01 -0.83 -0.54 120.40 124.07 3mb7 s VAL 162 Ca 0.39 -3.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.04 3mb7 s VAL 162 Cb 0.21 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3mb7 s VAL 162 CO 0.40 -0.93 1.03 -0.04 0.00 0.00 0.00 175.10 175.56 3mb7 s MET 163 N -0.24 4.18 -0.18 2.72 -1.94 -0.11 -4.89 119.30 118.84 3mb7 s MET 163 Ca 0.19 1.21 -0.00 0.00 -1.71 0.00 0.00 55.69 55.38 3mb7 s MET 163 Cb -0.17 -3.68 0.01 0.00 2.01 0.00 0.00 34.83 33.00 3mb7 s MET 163 CO -0.05 -0.72 -0.15 0.42 -0.01 0.00 0.00 175.02 174.51 3mb7 s ILE 164 N 3.33 2.54 -0.70 2.53 1.01 -1.26 -0.61 121.20 128.03 3mb7 s ILE 164 Ca 0.44 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 60.11 3mb7 s ILE 164 Cb -0.14 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.36 3mb7 s ILE 164 CO 0.09 0.51 0.85 -0.62 0.00 0.00 0.00 174.94 175.77 3mb7 s ASP 165 N 1.17 6.34 0.16 3.58 -1.08 0.35 -0.97 116.67 126.22 3mb7 s ASP 165 Ca 0.02 -1.62 -0.08 0.00 -0.52 0.00 0.00 52.55 50.35 3mb7 s ASP 165 Cb -0.14 -2.34 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 3mb7 s ASP 165 CO -0.06 -1.11 1.50 -0.74 0.52 0.00 0.00 175.17 175.28 3mb7 h HIS 166 N 9.04 1.01 -0.77 -5.34 -0.00 -1.82 0.20 115.15 117.45 3mb7 h HIS 166 Ca -0.15 -0.31 0.17 0.00 -0.00 0.00 0.00 60.37 60.08 3mb7 h HIS 166 Cb 1.07 -0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 28.16 3mb7 h HIS 166 CO 0.95 1.10 0.26 1.49 -0.00 0.00 0.00 177.93 181.74 3mb7 h GLU 167 N 0.68 0.34 -0.39 5.26 4.81 -1.91 -2.51 114.58 120.86 3mb7 h GLU 167 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3mb7 h GLU 167 Cb 0.98 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3mb7 h GLU 167 CO 0.09 0.23 0.00 0.72 -0.73 0.00 0.00 179.01 179.32 3mb7 n HIS 168 N -5.08 0.52 -3.91 0.92 8.25 -1.08 -4.99 115.22 109.85 3mb7 n HIS 168 Ca 0.16 -0.36 -0.28 0.00 -0.26 0.00 0.00 57.72 56.97 3mb7 n HIS 168 Cb 0.48 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.60 3mb7 n HIS 168 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mb7 n ARG 169 N 1.02 -4.83 -4.59 -0.41 1.74 0.60 -4.97 116.66 105.22 3mb7 n ARG 169 Ca 0.16 0.55 -0.33 0.00 -0.77 0.00 0.00 57.85 57.45 3mb7 n ARG 169 Cb 0.49 -5.25 -0.13 0.00 -1.02 0.00 0.00 32.46 26.56 3mb7 n ARG 169 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3mb7 s LYS 170 N -6.49 3.30 -0.03 5.56 2.20 -0.69 -4.99 119.74 118.59 3mb7 s LYS 170 Ca 0.43 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.52 3mb7 s LYS 170 Cb -0.22 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 3mb7 s LYS 170 CO 0.84 0.36 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.82 3mb7 s LEU 171 N 0.00 2.01 -0.04 5.43 0.20 -1.26 -0.50 118.68 124.52 3mb7 s LEU 171 Ca -0.01 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.42 3mb7 s LEU 171 Cb -0.14 -1.10 0.02 0.00 -0.43 0.00 0.00 46.19 44.55 3mb7 s LEU 171 CO 0.03 0.22 -0.04 -0.13 -0.29 0.00 0.00 176.35 176.15 3mb7 s ARG 172 N -0.27 0.75 -0.35 1.98 1.81 0.21 -4.65 118.95 118.44 3mb7 s ARG 172 Ca 0.02 -0.07 -0.26 0.00 -1.72 0.00 0.00 55.73 53.70 3mb7 s ARG 172 Cb -0.10 -0.79 0.01 0.00 -0.45 0.00 0.00 34.95 33.62 3mb7 s ARG 172 CO 0.01 -0.10 0.94 -1.17 -0.68 0.00 0.00 175.30 174.30 3mb7 s LEU 173 N 0.96 3.99 0.53 2.53 2.96 0.33 -0.93 118.68 129.05 3mb7 s LEU 173 Ca -0.10 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 3mb7 s LEU 173 Cb -0.14 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.28 3mb7 s LEU 173 CO -0.00 -0.83 0.36 0.27 -1.32 0.00 0.00 176.35 174.82 3mb7 s ILE 174 N 3.45 1.70 -0.42 6.68 -4.36 0.30 -2.65 121.20 125.90 3mb7 s ILE 174 Ca 0.39 -1.54 -0.20 0.00 -0.26 0.00 0.00 60.65 59.04 3mb7 s ILE 174 Cb -0.12 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.37 3mb7 s ILE 174 CO 0.17 0.00 0.57 -0.67 0.24 0.00 0.00 174.94 175.25 3mb7 n ASP 175 N -1.68 -7.34 -1.24 4.36 4.64 -1.26 -4.86 116.55 109.17 3mb7 n ASP 175 Ca -0.03 0.42 0.06 0.00 -1.38 0.00 0.00 54.79 53.86 3mb7 n ASP 175 Cb 0.64 -4.41 0.25 0.00 -1.04 0.00 0.00 41.12 36.56 3mb7 n ASP 175 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 3mb7 n TRP 176 N -0.17 1.13 0.28 -0.67 7.02 -1.26 -4.45 117.44 119.31 3mb7 n TRP 176 Ca 0.06 -0.42 0.15 0.00 -1.02 0.00 0.00 57.50 56.27 3mb7 n TRP 176 Cb 0.49 -0.25 0.81 0.00 -2.42 0.00 0.00 31.31 29.94 3mb7 n TRP 176 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3mb7 h GLY 177 N 4.56 0.00 -1.10 6.99 0.00 -1.91 -2.32 103.07 109.28 3mb7 h GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mb7 h GLY 177 CO 0.22 0.00 -0.39 1.04 0.00 0.00 0.00 176.54 177.41 3mb7 n LEU 178 N -3.46 2.13 -4.74 3.11 4.77 -1.26 -4.86 117.00 112.69 3mb7 n LEU 178 Ca -0.02 -0.80 -0.35 0.00 -0.03 0.00 0.00 56.01 54.82 3mb7 n LEU 178 Cb 0.21 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3mb7 n LEU 178 CO 0.28 0.39 0.81 0.00 -1.33 0.00 0.00 177.39 177.54 3mb7 s ALA 179 N -2.32 2.34 0.05 -1.18 0.00 -0.88 -4.70 121.76 115.08 3mb7 s ALA 179 Ca 0.19 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 3mb7 s ALA 179 Cb 0.18 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3mb7 s ALA 179 CO 0.51 -1.52 0.12 -2.00 0.00 0.00 0.00 175.76 172.88 3mb7 s GLU 180 N -3.68 0.68 0.00 0.00 2.56 -0.43 -4.90 118.70 112.92 3mb7 s GLU 180 Ca 0.75 -0.84 -0.30 0.00 0.00 0.00 0.00 54.97 54.58 3mb7 s GLU 180 Cb -0.29 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.07 3mb7 s GLU 180 CO 0.40 -0.18 1.01 -0.06 -0.56 0.00 0.00 175.26 175.87 3mb7 s PHE 181 N -3.08 3.62 -0.20 5.30 0.40 -1.26 -0.93 117.98 121.82 3mb7 s PHE 181 Ca -0.01 1.63 -0.26 0.00 -0.60 0.00 0.00 56.93 57.69 3mb7 s PHE 181 Cb 0.02 -3.17 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 3mb7 s PHE 181 CO -0.07 -0.21 0.90 -0.47 0.70 0.00 0.00 175.22 176.07 3mb7 s TYR 182 N 1.09 3.38 -0.10 0.36 5.04 0.38 -4.93 117.35 122.57 3mb7 s TYR 182 Ca 0.53 1.31 0.02 0.00 -2.44 0.00 0.00 57.07 56.48 3mb7 s TYR 182 Cb -0.22 -3.11 0.01 0.00 0.35 0.00 0.00 41.96 39.00 3mb7 s TYR 182 CO 0.28 -0.35 -0.15 -1.01 -1.34 0.00 0.00 175.55 172.98 3mb7 s HIS 183 N 2.62 1.87 0.13 4.97 3.76 -1.26 -4.62 115.29 122.75 3mb7 s HIS 183 Ca 0.40 -0.84 -0.35 0.00 -0.15 0.00 0.00 55.06 54.12 3mb7 s HIS 183 Cb -0.16 -1.35 -0.15 0.00 1.11 0.00 0.00 32.58 32.02 3mb7 s HIS 183 CO 0.10 -0.43 1.40 -2.30 -0.85 0.00 0.00 174.74 172.65 3mb7 n PRO 184 N 4.13 1.51 -0.59 8.40 -0.02 -1.26 -1.75 135.00 145.43 3mb7 n PRO 184 Ca -0.19 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3mb7 n PRO 184 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3mb7 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mb7 n GLY 185 N 2.70 1.65 3.74 -1.23 0.00 -1.26 -5.02 105.19 105.78 3mb7 n GLY 185 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3mb7 n GLY 185 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mb7 s GLN 186 N -0.06 4.62 -0.21 1.61 0.74 -0.72 -5.03 119.66 120.61 3mb7 s GLN 186 Ca 0.00 1.72 -0.13 0.00 0.05 0.00 0.00 55.36 57.00 3mb7 s GLN 186 Cb 0.00 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 3mb7 s GLN 186 CO 0.00 0.14 0.27 -1.21 -0.55 0.00 0.00 175.29 173.94 3mb7 s GLU 187 N -0.69 4.14 0.29 1.67 2.02 -1.26 -4.41 118.70 120.46 3mb7 s GLU 187 Ca 0.48 -0.03 0.08 0.00 0.02 0.00 0.00 54.97 55.52 3mb7 s GLU 187 Cb -0.30 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 3mb7 s GLU 187 CO 0.36 0.06 0.11 0.71 0.02 0.00 0.00 175.26 176.52 3mb7 s TYR 188 N 1.04 2.82 0.19 1.61 2.02 0.29 -4.98 117.35 120.34 3mb7 s TYR 188 Ca 0.13 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 3mb7 s TYR 188 Cb -0.14 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.91 3mb7 s TYR 188 CO 0.05 0.48 1.34 1.21 -1.57 0.00 0.00 175.55 177.07 3mb7 s ASN 189 N -3.79 6.84 0.04 2.29 2.47 -1.26 -4.64 114.94 116.90 3mb7 s ASN 189 Ca 0.34 2.43 0.26 0.00 0.42 0.00 0.00 52.86 56.31 3mb7 s ASN 189 Cb -0.06 -2.61 0.67 0.00 -1.45 0.00 0.00 41.25 37.81 3mb7 s ASN 189 CO 0.22 -0.58 1.54 1.33 -3.72 0.00 0.00 177.10 175.90 3mb7 n VAL 190 N 2.82 0.12 -1.59 -5.21 0.24 -1.26 -4.37 118.33 109.08 3mb7 n VAL 190 Ca 0.07 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 3mb7 n VAL 190 Cb 0.42 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 3mb7 n VAL 190 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3mb7 n ARG 191 N -1.69 3.63 -4.45 7.34 3.00 -1.26 -4.84 116.66 118.38 3mb7 n ARG 191 Ca 0.05 -2.58 -0.24 0.00 -0.00 0.00 0.00 57.85 55.08 3mb7 n ARG 191 Cb 0.37 -2.90 -0.08 0.00 0.00 0.00 0.00 32.46 29.85 3mb7 n ARG 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3mb7 s VAL 192 N 1.80 0.32 0.20 5.15 -7.23 -1.26 -5.11 120.40 114.28 3mb7 s VAL 192 Ca 0.60 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3mb7 s VAL 192 Cb 0.16 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.76 3mb7 s VAL 192 CO -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.72 3mb7 n ALA 193 N -0.86 -2.26 -2.53 1.32 0.00 -0.16 -4.88 120.51 111.14 3mb7 n ALA 193 Ca -0.02 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3mb7 n ALA 193 Cb 0.64 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 3mb7 n ALA 193 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mb7 s SER 194 N -5.89 4.20 0.14 0.00 0.01 -1.26 -4.98 113.70 105.91 3mb7 s SER 194 Ca 0.00 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 3mb7 s SER 194 Cb 0.00 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.47 3mb7 s SER 194 CO 0.00 0.22 1.17 -1.14 0.41 0.00 0.00 173.24 173.90 3mb7 n ARG 195 N 1.14 -0.28 0.12 12.44 0.63 -1.26 -0.59 116.66 128.86 3mb7 n ARG 195 Ca -0.15 1.15 0.11 0.00 -0.92 0.00 0.00 57.85 58.04 3mb7 n ARG 195 Cb 0.52 -1.69 0.48 0.00 0.45 0.00 0.00 32.46 32.22 3mb7 n ARG 195 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mb7 n TYR 196 N -5.00 0.70 0.17 -0.14 4.01 -1.26 -2.41 117.16 113.24 3mb7 n TYR 196 Ca 0.03 0.29 0.04 0.00 -0.16 0.00 0.00 57.90 58.10 3mb7 n TYR 196 Cb 0.23 -0.97 0.06 0.00 -0.31 0.00 0.00 39.34 38.35 3mb7 n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3mb7 n PHE 197 N -2.15 0.10 -2.12 -0.72 3.72 0.25 -4.67 117.46 111.86 3mb7 n PHE 197 Ca 0.02 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 3mb7 n PHE 197 Cb 0.18 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3mb7 n PHE 197 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3mb7 s LYS 198 N -0.75 4.31 0.61 -1.08 1.02 -1.01 -4.14 119.74 118.70 3mb7 s LYS 198 Ca 0.11 2.14 -0.16 0.00 0.02 0.00 0.00 55.97 58.08 3mb7 s LYS 198 Cb 0.07 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3mb7 s LYS 198 CO 0.10 -0.44 1.10 0.20 -0.92 0.00 0.00 175.35 175.39 3mb7 s GLY 199 N 0.92 2.24 0.38 -3.33 0.00 -1.26 -4.88 107.32 101.39 3mb7 s GLY 199 Ca 0.64 0.56 0.16 0.00 0.00 0.00 0.00 44.72 46.08 3mb7 s GLY 199 CO 0.33 0.90 1.76 -2.55 0.00 0.00 0.00 173.10 173.54 3mb7 h PRO 200 N 0.40 0.44 -0.95 2.90 0.11 -1.92 -0.51 132.00 132.47 3mb7 h PRO 200 Ca -0.47 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.72 3mb7 h PRO 200 Cb 1.24 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3mb7 h PRO 200 CO 0.56 0.29 0.58 1.05 -0.21 0.00 0.00 178.00 180.27 3mb7 h GLU 201 N 0.45 0.92 -0.40 1.05 9.09 -1.90 -0.39 114.58 123.40 3mb7 h GLU 201 Ca 0.60 -0.06 -0.13 0.00 0.05 0.00 0.00 59.36 59.83 3mb7 h GLU 201 Cb 1.42 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 3mb7 h GLU 201 CO -0.33 0.61 -0.27 -0.07 0.05 0.00 0.00 179.01 179.00 3mb7 h LEU 202 N 0.95 0.92 -0.44 3.06 3.38 -1.33 0.11 115.31 121.95 3mb7 h LEU 202 Ca 0.46 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mb7 h LEU 202 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3mb7 h LEU 202 CO -0.25 1.16 0.00 -0.07 0.09 0.00 0.00 178.44 179.36 3mb7 h LEU 203 N 0.70 0.00 -2.13 1.67 3.38 -0.88 -2.34 115.31 115.70 3mb7 h LEU 203 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mb7 h LEU 203 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3mb7 h LEU 203 CO 0.07 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.93 3mb7 n VAL 204 N -2.70 0.38 -2.85 1.22 0.24 -0.26 -4.96 118.33 109.40 3mb7 n VAL 204 Ca 0.03 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.52 3mb7 n VAL 204 Cb 0.40 1.04 0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3mb7 n VAL 204 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3mb7 n ASP 205 N 1.09 -4.08 -4.54 -1.34 2.03 -0.88 -4.86 116.55 103.97 3mb7 n ASP 205 Ca 0.14 -0.21 -0.42 0.00 0.52 0.00 0.00 54.79 54.82 3mb7 n ASP 205 Cb 0.49 -2.81 -0.07 0.00 -0.72 0.00 0.00 41.12 38.01 3mb7 n ASP 205 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3mb7 s TYR 206 N -3.01 3.14 -0.38 -0.67 5.04 0.34 -4.97 117.35 116.85 3mb7 s TYR 206 Ca 0.23 0.06 0.23 0.00 -2.44 0.00 0.00 57.07 55.15 3mb7 s TYR 206 Cb -0.10 -3.06 0.16 0.00 0.35 0.00 0.00 41.96 39.31 3mb7 s TYR 206 CO 0.28 -0.66 1.22 1.96 -1.34 0.00 0.00 175.55 177.02 3mb7 h GLN 207 N 8.61 0.00 -2.46 4.97 4.20 -1.84 -3.40 115.11 125.19 3mb7 h GLN 207 Ca -0.27 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.71 3mb7 h GLN 207 Cb 1.11 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.73 3mb7 h GLN 207 CO 0.81 0.00 1.90 -0.12 -0.67 0.00 0.00 178.83 180.75 3mb7 n MET 208 N -2.61 4.51 -2.91 1.46 1.56 -1.26 -0.54 117.12 117.33 3mb7 n MET 208 Ca 0.02 -3.60 -0.21 0.00 -0.27 0.00 0.00 57.70 53.64 3mb7 n MET 208 Cb 0.52 -2.54 0.08 0.00 2.15 0.00 0.00 33.22 33.43 3mb7 n MET 208 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 3mb7 n TYR 209 N 1.21 -2.44 -2.81 1.12 0.18 -1.26 -4.52 117.16 108.63 3mb7 n TYR 209 Ca 0.58 -2.07 0.00 0.00 1.88 0.00 0.00 57.90 58.29 3mb7 n TYR 209 Cb 0.28 -0.61 0.00 0.00 -0.38 0.00 0.00 39.34 38.63 3mb7 n TYR 209 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3mb7 n ASP 210 N -2.47 0.00 -0.40 9.48 5.75 -1.26 -4.95 116.55 122.71 3mb7 n ASP 210 Ca 0.17 -0.37 0.34 0.00 -0.01 0.00 0.00 54.79 54.92 3mb7 n ASP 210 Cb 0.61 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 41.36 3mb7 n ASP 210 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 3mb7 h TYR 211 N 0.37 0.33 -0.04 2.11 -1.99 -1.95 -1.61 116.97 114.19 3mb7 h TYR 211 Ca 0.00 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.75 3mb7 h TYR 211 Cb 0.00 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 3mb7 h TYR 211 CO 0.00 -0.03 0.09 0.66 -0.00 0.00 0.00 178.16 178.87 3mb7 h SER 212 N 0.14 0.00 -0.67 3.88 4.64 -1.95 -1.07 113.55 118.52 3mb7 h SER 212 Ca 0.68 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 62.12 3mb7 h SER 212 Cb 2.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 64.29 3mb7 h SER 212 CO -0.20 0.00 0.22 0.25 -0.87 0.00 0.00 176.83 176.24 3mb7 h LEU 213 N 0.00 0.17 -1.88 5.97 5.85 -1.65 -1.70 115.31 122.08 3mb7 h LEU 213 Ca 0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3mb7 h LEU 213 Cb 0.19 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3mb7 h LEU 213 CO -0.00 0.08 -0.04 0.44 -0.34 0.00 0.00 178.44 178.58 3mb7 h ASP 214 N 0.38 0.03 0.50 1.25 3.32 -1.41 -2.46 116.42 118.02 3mb7 h ASP 214 Ca 0.35 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.22 3mb7 h ASP 214 Cb 0.51 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3mb7 h ASP 214 CO -0.38 0.07 -0.80 0.24 -1.72 0.00 0.00 179.24 176.65 3mb7 h MET 215 N 0.03 0.23 -0.05 3.56 2.86 -1.40 -1.20 114.93 118.95 3mb7 h MET 215 Ca 0.01 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3mb7 h MET 215 Cb 0.09 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3mb7 h MET 215 CO 0.01 0.91 0.03 2.35 1.06 0.00 0.00 176.91 181.26 3mb7 h TRP 216 N 0.14 0.07 -0.76 -0.22 2.91 -1.14 -1.02 115.95 115.94 3mb7 h TRP 216 Ca -0.03 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.02 3mb7 h TRP 216 Cb 1.39 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 29.97 3mb7 h TRP 216 CO 0.03 0.11 0.47 0.77 -1.03 0.00 0.00 178.44 178.79 3mb7 h SER 217 N 0.01 0.77 -0.83 2.65 0.02 -1.36 -0.55 113.55 114.27 3mb7 h SER 217 Ca 0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3mb7 h SER 217 Cb 0.06 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3mb7 h SER 217 CO -0.00 0.52 0.40 0.25 -1.14 0.00 0.00 176.83 176.86 3mb7 h LEU 218 N 0.91 1.07 -0.96 5.07 5.85 -1.11 -1.59 115.31 124.55 3mb7 h LEU 218 Ca 0.31 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3mb7 h LEU 218 Cb 0.06 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3mb7 h LEU 218 CO -0.13 0.90 0.63 1.23 -0.34 0.00 0.00 178.44 180.74 3mb7 h GLY 219 N 1.17 1.37 1.00 3.75 0.00 0.15 -0.03 103.07 110.48 3mb7 h GLY 219 Ca 0.28 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3mb7 h GLY 219 CO -0.04 0.47 0.34 0.00 0.00 0.00 0.00 176.54 177.32 3mb7 h MET 221 N 0.86 0.11 -0.28 0.00 2.07 -0.72 -2.03 114.93 114.95 3mb7 h MET 221 Ca 0.22 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.87 3mb7 h MET 221 Cb 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.72 3mb7 h MET 221 CO -0.04 0.07 0.10 1.25 1.07 0.00 0.00 176.91 179.37 3mb7 h LEU 222 N 0.12 0.12 -0.63 1.22 5.85 -0.67 -1.14 115.31 120.18 3mb7 h LEU 222 Ca 0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3mb7 h LEU 222 Cb 0.00 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3mb7 h LEU 222 CO -0.02 0.10 0.35 0.00 -0.34 0.00 0.00 178.44 178.53 3mb7 h ALA 223 N 1.17 0.82 -0.48 1.25 0.00 -0.98 0.23 119.26 121.27 3mb7 h ALA 223 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3mb7 h ALA 223 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mb7 h ALA 223 CO -0.12 0.04 0.25 0.66 0.00 0.00 0.00 179.25 180.09 3mb7 h SER 224 N 0.67 0.59 0.01 0.00 4.64 -0.91 -1.87 113.55 116.68 3mb7 h SER 224 Ca 0.27 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3mb7 h SER 224 Cb 0.13 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3mb7 h SER 224 CO -0.16 0.49 -0.01 0.24 -0.87 0.00 0.00 176.83 176.52 3mb7 h MET 225 N 0.67 -0.02 0.00 4.77 2.07 -0.18 -2.17 114.93 120.08 3mb7 h MET 225 Ca 0.17 0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.69 3mb7 h MET 225 Cb 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 3mb7 h MET 225 CO -0.03 0.76 -0.52 -0.84 1.07 0.00 0.00 176.91 177.35 3mb7 h ILE 226 N -0.84 1.10 -0.01 -1.22 3.07 -0.99 -3.09 117.51 115.52 3mb7 h ILE 226 Ca -0.00 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.43 3mb7 h ILE 226 Cb 0.78 2.16 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3mb7 h ILE 226 CO 0.00 0.51 -0.54 0.49 -1.05 0.00 0.00 178.15 177.56 3mb7 n PHE 227 N -3.52 0.00 -3.60 0.16 3.72 -0.71 -4.52 117.46 108.99 3mb7 n PHE 227 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3mb7 n PHE 227 Cb 0.62 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 39.17 3mb7 n PHE 227 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mb7 n ARG 228 N -0.48 -4.53 -3.55 -1.08 5.12 -0.88 -4.79 116.66 106.47 3mb7 n ARG 228 Ca 0.09 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.40 3mb7 n ARG 228 Cb 0.42 -5.27 -0.15 0.00 -1.16 0.00 0.00 32.46 26.29 3mb7 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3mb7 s LYS 229 N -5.68 0.16 -0.26 5.56 2.20 -0.87 -5.05 119.74 115.79 3mb7 s LYS 229 Ca 0.10 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 3mb7 s LYS 229 Cb -0.02 -1.33 0.07 0.00 -1.51 0.00 0.00 37.83 35.03 3mb7 s LYS 229 CO 0.79 -0.91 -0.06 -2.00 -0.36 0.00 0.00 175.35 172.81 3mb7 s GLU 230 N 2.13 1.88 0.71 4.03 -6.30 -1.26 -2.59 118.70 117.29 3mb7 s GLU 230 Ca 0.07 -1.30 -0.10 0.00 -2.50 0.00 0.00 54.97 51.14 3mb7 s GLU 230 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 34.13 31.20 3mb7 s GLU 230 CO -0.28 -0.65 1.07 -1.25 0.02 0.00 0.00 175.26 174.17 3mb7 s PRO 231 N 1.19 2.55 -0.10 4.30 0.04 -1.26 -5.13 135.00 136.59 3mb7 s PRO 231 Ca -0.04 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.90 3mb7 s PRO 231 Cb -0.19 -2.08 -0.25 0.00 0.04 0.00 0.00 34.50 32.02 3mb7 s PRO 231 CO -0.06 -1.13 0.92 0.35 0.04 0.00 0.00 177.00 177.11 3mb7 h PHE 232 N -0.65 0.08 -3.19 0.56 3.57 -1.74 -3.40 116.94 112.17 3mb7 h PHE 232 Ca -0.45 -0.05 -0.75 0.00 3.53 0.00 0.00 57.97 60.25 3mb7 h PHE 232 Cb 1.28 -0.01 -0.25 0.00 2.79 0.00 0.00 35.95 39.77 3mb7 h PHE 232 CO 0.42 0.90 -0.29 -0.06 -2.23 0.00 0.00 178.31 177.06 3mb7 s PHE 233 N -2.80 3.28 -1.02 0.41 0.08 -1.26 -5.02 117.98 111.66 3mb7 s PHE 233 Ca -0.18 -1.31 -0.03 0.00 0.12 0.00 0.00 56.93 55.54 3mb7 s PHE 233 Cb -0.01 -3.56 0.29 0.00 -0.57 0.00 0.00 43.02 39.17 3mb7 s PHE 233 CO 0.70 -0.95 1.30 1.58 -0.10 0.00 0.00 175.22 177.75 3mb7 n HIS 234 N 5.17 2.94 -2.48 0.36 -0.00 -1.26 -4.66 115.22 115.29 3mb7 n HIS 234 Ca -0.13 -3.05 -0.34 0.00 0.46 0.00 0.00 57.72 54.66 3mb7 n HIS 234 Cb 0.41 -1.21 -0.03 0.00 -0.12 0.00 0.00 29.99 29.04 3mb7 n HIS 234 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3mb7 s GLY 235 N -1.39 2.45 0.30 1.57 0.00 -1.26 -4.97 107.32 104.03 3mb7 s GLY 235 Ca 0.32 0.57 0.19 0.00 0.00 0.00 0.00 44.72 45.80 3mb7 s GLY 235 CO 0.05 0.89 1.39 0.45 0.00 0.00 0.00 173.10 175.88 3mb7 h HIS 236 N 1.41 0.00 -2.70 1.90 3.86 -1.96 -3.46 115.15 114.20 3mb7 h HIS 236 Ca -0.49 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.68 3mb7 h HIS 236 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3mb7 h HIS 236 CO 0.57 0.28 0.15 -0.40 0.86 0.00 0.00 177.93 179.39 3mb7 n ASP 237 N -3.09 -1.39 0.25 2.45 5.68 -1.26 -5.03 116.55 114.16 3mb7 n ASP 237 Ca 0.01 -2.03 0.13 0.00 -0.50 0.00 0.00 54.79 52.40 3mb7 n ASP 237 Cb 0.66 2.33 0.60 0.00 -1.14 0.00 0.00 41.12 43.57 3mb7 n ASP 237 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3mb7 h ASN 238 N 1.25 0.00 0.00 -1.12 2.35 -1.96 -0.59 115.58 115.50 3mb7 h ASN 238 Ca -0.21 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.48 3mb7 h ASN 238 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3mb7 h ASN 238 CO 0.26 0.14 -0.32 1.88 -1.65 0.00 0.00 177.43 177.75 3mb7 h TYR 239 N 0.00 0.00 -0.18 1.19 -1.99 -1.96 -3.23 116.97 110.79 3mb7 h TYR 239 Ca -0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 3mb7 h TYR 239 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 3mb7 h TYR 239 CO 0.00 1.06 0.15 0.22 -0.00 0.00 0.00 178.16 179.59 3mb7 h ASP 240 N -1.00 0.00 -0.70 3.88 3.58 -1.95 -2.23 116.42 118.00 3mb7 h ASP 240 Ca -0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3mb7 h ASP 240 Cb 1.02 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 3mb7 h ASP 240 CO -0.05 0.00 0.40 -0.61 -2.88 0.00 0.00 179.24 176.10 3mb7 h GLN 241 N 0.00 0.96 -0.49 0.28 5.75 -1.12 0.19 115.11 120.68 3mb7 h GLN 241 Ca 0.08 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 3mb7 h GLN 241 Cb 0.39 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3mb7 h GLN 241 CO -0.00 0.70 -0.12 1.25 -2.65 0.00 0.00 178.83 178.01 3mb7 h LEU 242 N 0.95 0.91 -0.76 -2.39 5.85 -1.43 -2.47 115.31 115.96 3mb7 h LEU 242 Ca 0.25 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3mb7 h LEU 242 Cb -0.00 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3mb7 h LEU 242 CO -0.04 1.04 0.38 0.58 -0.34 0.00 0.00 178.44 180.05 3mb7 h VAL 243 N 0.82 1.24 -0.58 1.05 2.07 -1.19 0.04 116.25 119.71 3mb7 h VAL 243 Ca 0.13 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3mb7 h VAL 243 Cb 0.65 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3mb7 h VAL 243 CO 0.05 0.29 0.37 0.03 0.02 0.00 0.00 177.57 178.32 3mb7 h ARG 244 N 1.07 0.77 -0.56 1.57 2.47 -0.82 -1.22 114.38 117.67 3mb7 h ARG 244 Ca 0.26 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3mb7 h ARG 244 Cb 0.11 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 3mb7 h ARG 244 CO -0.03 0.53 0.30 0.82 0.56 0.00 0.00 179.97 182.14 3mb7 h ILE 245 N 0.78 1.19 0.00 2.04 2.04 -0.97 -2.99 117.51 119.60 3mb7 h ILE 245 Ca 0.21 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3mb7 h ILE 245 Cb -0.06 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3mb7 h ILE 245 CO -0.04 0.21 -0.29 0.00 0.00 0.00 0.00 178.15 178.02 3mb7 h ALA 246 N 1.13 1.45 0.00 1.87 0.00 -0.48 -0.17 119.26 123.07 3mb7 h ALA 246 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3mb7 h ALA 246 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mb7 h ALA 246 CO -0.03 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.45 3mb7 h LYS 247 N 0.00 0.00 0.00 0.00 1.57 -1.08 0.16 116.57 117.22 3mb7 h LYS 247 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 3mb7 h LYS 247 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3mb7 h LYS 247 CO 0.04 0.00 -1.81 0.28 -0.57 0.00 0.00 179.45 177.39 3mb7 n VAL 248 N -2.42 1.28 0.77 0.50 0.31 -0.53 -4.68 118.33 113.56 3mb7 n VAL 248 Ca 0.01 -0.16 0.13 0.00 -0.01 0.00 0.00 64.34 64.31 3mb7 n VAL 248 Cb 0.19 -1.92 0.36 0.00 -0.91 0.00 0.00 33.84 31.56 3mb7 n VAL 248 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3mb7 n LEU 249 N -4.07 0.53 0.00 7.52 4.32 -0.19 -0.80 117.00 124.31 3mb7 n LEU 249 Ca -0.34 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3mb7 n LEU 249 Cb 0.69 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 3mb7 n LEU 249 CO 0.07 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.81 3mb7 n GLY 250 N 1.40 -0.89 0.08 -0.72 0.00 0.56 -4.28 105.19 101.35 3mb7 n GLY 250 Ca 0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 3mb7 n GLY 250 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3mb7 h THR 251 N 0.00 1.54 -0.45 2.61 1.35 -1.13 -3.25 112.91 113.58 3mb7 h THR 251 Ca 0.00 -3.09 -0.01 0.00 -0.55 0.00 0.00 66.41 62.77 3mb7 h THR 251 Cb 0.00 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 3mb7 h THR 251 CO 0.00 0.86 0.25 -0.33 -0.25 0.00 0.00 175.52 176.05 3mb7 h GLU 252 N 0.00 0.63 -0.12 4.72 5.08 -1.88 -0.10 114.58 122.91 3mb7 h GLU 252 Ca -0.01 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3mb7 h GLU 252 Cb 1.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3mb7 h GLU 252 CO 0.11 0.50 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.85 3mb7 h ASP 253 N 0.60 0.23 -0.15 1.42 3.32 -1.82 -0.83 116.42 119.19 3mb7 h ASP 253 Ca 0.16 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3mb7 h ASP 253 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3mb7 h ASP 253 CO -0.03 0.56 0.09 0.25 -1.72 0.00 0.00 179.24 178.39 3mb7 h LEU 254 N 0.20 0.18 -0.94 1.55 5.85 -1.45 -1.26 115.31 119.44 3mb7 h LEU 254 Ca 0.03 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3mb7 h LEU 254 Cb 0.69 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3mb7 h LEU 254 CO 0.05 0.17 0.05 1.88 -0.34 0.00 0.00 178.44 180.25 3mb7 h TYR 255 N 0.17 0.87 -0.86 1.25 0.05 -0.84 -1.32 116.97 116.28 3mb7 h TYR 255 Ca 0.05 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.77 3mb7 h TYR 255 Cb 0.03 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 37.47 3mb7 h TYR 255 CO -0.05 0.77 0.54 -0.44 -1.05 0.00 0.00 178.16 177.93 3mb7 h ASP 256 N 0.78 0.88 0.37 3.88 3.45 -0.98 0.57 116.42 125.36 3mb7 h ASP 256 Ca 0.16 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 3mb7 h ASP 256 Cb 0.40 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3mb7 h ASP 256 CO 0.01 0.58 -0.18 0.22 -1.57 0.00 0.00 179.24 178.30 3mb7 h TYR 257 N 1.02 -0.46 -0.35 4.55 3.20 -0.57 -0.25 116.97 124.11 3mb7 h TYR 257 Ca 0.36 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 3mb7 h TYR 257 Cb 0.10 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3mb7 h TYR 257 CO -0.03 -0.21 -0.07 -0.84 -1.64 0.00 0.00 178.16 175.38 3mb7 h ILE 258 N -0.62 1.23 -0.67 1.81 3.07 -1.10 -2.56 117.51 118.66 3mb7 h ILE 258 Ca -0.05 -0.96 -0.06 0.00 1.55 0.00 0.00 64.86 65.33 3mb7 h ILE 258 Cb 0.46 1.04 -0.03 0.00 -0.27 0.00 0.00 36.82 38.01 3mb7 h ILE 258 CO 0.08 0.32 0.16 0.44 -1.05 0.00 0.00 178.15 178.11 3mb7 h ASP 259 N 0.53 0.99 -0.70 2.16 3.32 -0.76 0.72 116.42 122.70 3mb7 h ASP 259 Ca 0.10 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3mb7 h ASP 259 Cb 0.45 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 3mb7 h ASP 259 CO 0.02 0.96 0.40 0.50 -1.72 0.00 0.00 179.24 179.40 3mb7 h LYS 260 N 1.00 0.71 -0.50 3.56 3.64 -0.63 -2.78 116.57 121.57 3mb7 h LYS 260 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3mb7 h LYS 260 Cb 0.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3mb7 h LYS 260 CO 0.00 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 3mb7 n TYR 261 N -4.76 0.66 -3.78 1.91 4.01 -1.10 -4.80 117.16 109.30 3mb7 n TYR 261 Ca 0.09 -0.33 -0.27 0.00 -0.16 0.00 0.00 57.90 57.23 3mb7 n TYR 261 Cb 0.17 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3mb7 n TYR 261 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3mb7 n ASN 262 N 1.29 -4.65 -4.89 7.72 4.13 -0.52 -0.64 115.26 117.71 3mb7 n ASN 262 Ca 0.20 -0.71 -0.34 0.00 1.68 0.00 0.00 54.58 55.40 3mb7 n ASN 262 Cb 0.54 -4.28 -0.05 0.00 -1.54 0.00 0.00 39.78 34.44 3mb7 n ASN 262 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3mb7 s ILE 263 N -3.36 5.31 -0.09 2.41 1.01 0.13 -4.18 121.20 122.43 3mb7 s ILE 263 Ca 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 3mb7 s ILE 263 Cb -0.25 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3mb7 s ILE 263 CO 0.80 0.36 -0.04 -0.70 0.00 0.00 0.00 174.94 175.35 3mb7 s GLU 264 N -1.79 3.04 0.51 2.79 2.12 -1.26 -4.47 118.70 119.65 3mb7 s GLU 264 Ca 0.28 -0.49 -0.20 0.00 0.36 0.00 0.00 54.97 54.91 3mb7 s GLU 264 Cb -0.13 -2.73 -0.07 0.00 0.26 0.00 0.00 34.13 31.46 3mb7 s GLU 264 CO 0.16 0.58 1.13 -0.51 -0.54 0.00 0.00 175.26 176.08 3mb7 s LEU 265 N -0.56 3.83 0.06 2.70 1.43 -1.26 -4.96 118.68 119.92 3mb7 s LEU 265 Ca 0.09 2.18 -0.37 0.00 -1.03 0.00 0.00 54.13 55.00 3mb7 s LEU 265 Cb -0.12 -4.48 -0.17 0.00 0.03 0.00 0.00 46.19 41.45 3mb7 s LEU 265 CO 0.02 -1.09 1.39 -0.67 0.23 0.00 0.00 176.35 176.23 3mb7 n ASP 266 N -1.04 1.77 0.24 2.29 -0.08 -1.26 -4.80 116.55 113.67 3mb7 n ASP 266 Ca 0.10 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 3mb7 n ASP 266 Cb 0.50 -1.19 0.71 0.00 2.34 0.00 0.00 41.12 43.48 3mb7 n ASP 266 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3mb7 h PRO 267 N 4.86 0.00 -1.25 -0.67 0.13 -2.04 -0.69 132.00 132.34 3mb7 h PRO 267 Ca -0.48 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.03 3mb7 h PRO 267 Cb 1.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 3mb7 h PRO 267 CO 0.80 0.00 0.82 -0.09 -0.23 0.00 0.00 178.00 179.29 3mb7 h ARG 268 N 0.00 0.17 0.00 0.86 2.43 -2.03 -1.42 114.38 114.39 3mb7 h ARG 268 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3mb7 h ARG 268 Cb 0.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3mb7 h ARG 268 CO 0.00 0.11 0.00 1.19 -1.51 0.00 0.00 179.97 179.76 3mb7 n PHE 269 N -4.59 0.68 -0.28 2.20 3.01 -0.26 -4.11 117.46 114.10 3mb7 n PHE 269 Ca 0.33 0.21 0.10 0.00 1.01 0.00 0.00 57.45 59.10 3mb7 n PHE 269 Cb 1.26 -0.85 0.25 0.00 -0.01 0.00 0.00 39.48 40.14 3mb7 n PHE 269 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3mb7 h ASN 270 N 0.00 0.08 -0.16 4.37 -0.26 -1.46 -1.57 115.58 116.58 3mb7 h ASN 270 Ca 0.00 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3mb7 h ASN 270 Cb 0.60 0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 3mb7 h ASN 270 CO 0.00 -0.08 0.00 0.47 -1.06 0.00 0.00 177.43 176.76 3mb7 n ASP 271 N -5.16 3.19 0.00 5.81 8.00 -1.26 -4.58 116.55 122.56 3mb7 n ASP 271 Ca 0.19 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.76 3mb7 n ASP 271 Cb 0.59 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3mb7 n ASP 271 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3mb7 n ILE 272 N -0.77 0.00 -0.03 0.53 -5.35 -1.00 -4.91 119.36 107.83 3mb7 n ILE 272 Ca 0.18 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.50 3mb7 n ILE 272 Cb 0.74 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.55 3mb7 n ILE 272 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3mb7 h LEU 273 N 0.00 0.71 0.00 7.28 5.85 -1.54 -3.49 115.31 124.11 3mb7 h LEU 273 Ca 0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3mb7 h LEU 273 Cb 0.14 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3mb7 h LEU 273 CO 0.00 1.22 0.00 0.61 -0.34 0.00 0.00 178.44 179.93 3mb7 n GLY 274 N 0.67 -0.23 2.72 3.75 0.00 -1.26 -4.78 105.19 106.04 3mb7 n GLY 274 Ca -0.08 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 3mb7 n GLY 274 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mb7 s ARG 275 N 0.00 0.60 -0.04 1.61 3.52 -1.26 -4.95 118.95 118.43 3mb7 s ARG 275 Ca 0.00 -0.49 0.05 0.00 -0.13 0.00 0.00 55.73 55.16 3mb7 s ARG 275 Cb 0.00 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.36 3mb7 s ARG 275 CO 0.00 -0.71 -0.19 -1.01 -0.81 0.00 0.00 175.30 172.59 3mb7 s HIS 276 N 1.86 1.78 0.56 5.12 3.76 -1.26 -4.97 115.29 122.14 3mb7 s HIS 276 Ca 0.01 -0.46 -0.16 0.00 -0.15 0.00 0.00 55.06 54.30 3mb7 s HIS 276 Cb -0.17 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 3mb7 s HIS 276 CO -0.12 -0.13 1.03 -1.54 -0.85 0.00 0.00 174.74 173.13 3mb7 s SER 277 N -0.14 6.14 0.15 1.40 1.04 -1.26 -0.91 113.70 120.13 3mb7 s SER 277 Ca -0.00 1.71 -0.31 0.00 0.48 0.00 0.00 55.95 57.83 3mb7 s SER 277 Cb -0.10 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.41 3mb7 s SER 277 CO 0.01 -0.92 1.43 -0.60 0.98 0.00 0.00 173.24 174.15 3mb7 s ARG 278 N -4.08 4.29 0.14 4.02 3.52 -1.26 -3.81 118.95 121.77 3mb7 s ARG 278 Ca 0.62 2.18 -0.09 0.00 -0.13 0.00 0.00 55.73 58.30 3mb7 s ARG 278 Cb -0.13 -3.20 -0.06 0.00 -1.56 0.00 0.00 34.95 30.00 3mb7 s ARG 278 CO 0.35 -0.46 0.45 0.15 -0.81 0.00 0.00 175.30 174.97 3mb7 s LYS 279 N 0.79 3.76 0.30 5.12 -0.14 0.02 -4.93 119.74 124.66 3mb7 s LYS 279 Ca 0.64 0.16 -0.28 0.00 -1.36 0.00 0.00 55.97 55.14 3mb7 s LYS 279 Cb -0.39 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 3mb7 s LYS 279 CO 0.33 0.46 1.01 1.03 -0.76 0.00 0.00 175.35 177.42 3mb7 s ARG 280 N -2.34 4.60 0.55 1.68 0.52 -1.26 -4.91 118.95 117.79 3mb7 s ARG 280 Ca 0.39 1.55 0.24 0.00 -0.52 0.00 0.00 55.73 57.39 3mb7 s ARG 280 Cb -0.13 -3.00 1.55 0.00 0.52 0.00 0.00 34.95 33.89 3mb7 s ARG 280 CO 0.21 0.25 2.18 -1.49 0.02 0.00 0.00 175.30 176.46 3mb7 h TRP 281 N 3.50 0.00 -0.22 -0.53 4.06 -1.97 -1.67 115.95 119.13 3mb7 h TRP 281 Ca -0.47 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.55 3mb7 h TRP 281 Cb 1.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 3mb7 h TRP 281 CO 0.60 0.03 0.28 0.93 -3.56 0.00 0.00 178.44 176.72 3mb7 h GLU 282 N 0.00 0.00 -0.74 0.49 3.07 -1.97 -1.76 114.58 113.67 3mb7 h GLU 282 Ca -0.00 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 3mb7 h GLU 282 Cb 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3mb7 h GLU 282 CO 0.00 0.00 0.53 -0.09 -1.40 0.00 0.00 179.01 178.05 3mb7 h ARG 283 N 0.00 0.06 -0.15 2.33 9.65 -1.69 -1.84 114.38 122.73 3mb7 h ARG 283 Ca 0.10 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3mb7 h ARG 283 Cb 0.66 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3mb7 h ARG 283 CO -0.00 0.04 0.00 1.19 2.80 0.00 0.00 179.97 184.00 3mb7 n PHE 284 N -4.35 0.17 -3.31 2.20 3.72 -0.66 -4.89 117.46 110.34 3mb7 n PHE 284 Ca 0.15 -0.08 -0.38 0.00 -0.05 0.00 0.00 57.45 57.08 3mb7 n PHE 284 Cb 0.77 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.25 3mb7 n PHE 284 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mb7 s VAL 285 N -1.83 4.96 0.35 -4.37 1.01 -0.69 -4.90 120.40 114.92 3mb7 s VAL 285 Ca 0.33 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 3mb7 s VAL 285 Cb 0.21 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3mb7 s VAL 285 CO 0.31 0.47 0.48 -1.38 0.00 0.00 0.00 175.10 174.97 3mb7 s HIS 286 N -0.42 1.12 0.59 5.22 -3.43 -1.26 -5.03 115.29 112.07 3mb7 s HIS 286 Ca 0.28 -1.33 0.32 0.00 -0.80 0.00 0.00 55.06 53.52 3mb7 s HIS 286 Cb -0.17 -0.10 1.90 0.00 -1.43 0.00 0.00 32.58 32.78 3mb7 s HIS 286 CO 0.15 -1.15 2.27 0.66 -2.00 0.00 0.00 174.74 174.67 3mb7 h SER 287 N 2.09 0.00 1.54 7.38 4.64 -2.00 -1.48 113.55 125.72 3mb7 h SER 287 Ca -0.28 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3mb7 h SER 287 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3mb7 h SER 287 CO 0.38 0.01 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.54 3mb7 h GLU 288 N 0.00 0.00 -0.01 4.77 3.07 -1.98 -3.35 114.58 117.08 3mb7 h GLU 288 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3mb7 h GLU 288 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3mb7 h GLU 288 CO 0.00 0.17 -0.02 0.27 -1.40 0.00 0.00 179.01 178.03 3mb7 n ASN 289 N -3.03 1.32 0.23 1.42 0.23 -0.88 -4.77 115.26 109.78 3mb7 n ASN 289 Ca 0.01 -1.16 0.07 0.00 -0.53 0.00 0.00 54.58 52.97 3mb7 n ASN 289 Cb 0.62 0.08 0.56 0.00 -2.08 0.00 0.00 39.78 38.96 3mb7 n ASN 289 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3mb7 h GLN 290 N 0.90 0.00 0.00 -3.83 3.07 -1.43 -0.68 115.11 113.14 3mb7 h GLN 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3mb7 h GLN 290 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 3mb7 h GLN 290 CO 0.00 0.15 0.00 -2.39 0.09 0.00 0.00 178.83 176.68 3mb7 n HIS 291 N -4.27 0.36 0.89 0.06 1.44 -1.26 -2.10 115.22 110.33 3mb7 n HIS 291 Ca -0.02 0.15 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 3mb7 n HIS 291 Cb 0.22 -0.74 -0.06 0.00 0.12 0.00 0.00 29.99 29.53 3mb7 n HIS 291 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3mb7 n LEU 292 N -1.83 1.37 -4.71 2.39 4.77 -0.26 -4.62 117.00 114.10 3mb7 n LEU 292 Ca 0.02 -0.63 -0.35 0.00 -0.03 0.00 0.00 56.01 55.02 3mb7 n LEU 292 Cb 0.16 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3mb7 n LEU 292 CO 0.14 0.29 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.51 3mb7 s VAL 293 N -2.52 4.49 0.13 4.08 1.01 -0.89 -4.85 120.40 121.85 3mb7 s VAL 293 Ca 0.12 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 3mb7 s VAL 293 Cb 0.15 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3mb7 s VAL 293 CO 0.64 0.59 0.20 -0.94 0.00 0.00 0.00 175.10 175.60 3mb7 s SER 294 N -0.95 0.14 0.30 3.32 1.04 -1.26 -4.99 113.70 111.31 3mb7 s SER 294 Ca 0.14 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.73 3mb7 s SER 294 Cb -0.11 0.37 0.60 0.00 0.10 0.00 0.00 66.02 66.97 3mb7 s SER 294 CO 0.03 -0.80 1.87 -0.65 0.98 0.00 0.00 173.24 174.67 3mb7 h PRO 295 N 2.70 0.92 -0.55 4.02 0.11 -1.99 -1.66 132.00 135.55 3mb7 h PRO 295 Ca -0.33 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3mb7 h PRO 295 Cb 1.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3mb7 h PRO 295 CO 0.53 0.61 0.24 0.93 -0.21 0.00 0.00 178.00 180.10 3mb7 h GLU 296 N 0.95 0.81 -0.04 1.05 3.07 -1.96 -0.25 114.58 118.22 3mb7 h GLU 296 Ca 0.44 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 59.19 3mb7 h GLU 296 Cb 0.42 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3mb7 h GLU 296 CO -0.21 0.69 -0.09 0.00 -1.40 0.00 0.00 179.01 178.01 3mb7 h ALA 297 N 1.08 -0.06 -0.75 3.43 0.00 -1.79 -0.73 119.26 120.44 3mb7 h ALA 297 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3mb7 h ALA 297 Cb 0.17 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3mb7 h ALA 297 CO -0.02 -0.57 0.27 -0.07 0.00 0.00 0.00 179.25 178.87 3mb7 h LEU 298 N -0.13 1.06 -0.48 0.00 3.38 -1.13 -0.13 115.31 117.88 3mb7 h LEU 298 Ca 0.05 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3mb7 h LEU 298 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3mb7 h LEU 298 CO -0.12 0.96 0.08 -0.78 0.09 0.00 0.00 178.44 178.67 3mb7 h ASP 299 N 1.10 0.76 -0.09 -0.43 3.58 -0.92 -0.37 116.42 120.05 3mb7 h ASP 299 Ca 0.25 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3mb7 h ASP 299 Cb 0.25 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3mb7 h ASP 299 CO -0.02 0.82 0.06 0.15 -2.88 0.00 0.00 179.24 177.38 3mb7 h PHE 300 N 0.66 0.11 -0.43 0.28 3.57 -0.88 -2.29 116.94 117.97 3mb7 h PHE 300 Ca 0.15 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3mb7 h PHE 300 Cb 0.39 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3mb7 h PHE 300 CO 0.03 0.08 0.17 1.25 -2.23 0.00 0.00 178.31 177.60 3mb7 h LEU 301 N 0.11 0.20 -1.56 0.59 5.85 -0.90 -2.08 115.31 117.52 3mb7 h LEU 301 Ca 0.03 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3mb7 h LEU 301 Cb -0.01 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3mb7 h LEU 301 CO -0.01 0.15 0.44 -0.78 -0.34 0.00 0.00 178.44 177.90 3mb7 h ASP 302 N 0.35 0.44 0.81 1.25 3.58 -0.83 -1.00 116.42 121.01 3mb7 h ASP 302 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3mb7 h ASP 302 Cb 0.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.14 3mb7 h ASP 302 CO -0.19 0.26 -0.35 0.29 -2.88 0.00 0.00 179.24 176.37 3mb7 n LYS 303 N -4.48 0.10 -0.03 0.28 5.02 -0.82 -3.75 118.16 114.47 3mb7 n LYS 303 Ca 0.11 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3mb7 n LYS 303 Cb 0.38 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.68 3mb7 n LYS 303 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3mb7 h LEU 304 N 0.00 0.26 -7.24 -0.35 3.38 -0.80 -2.23 115.31 108.32 3mb7 h LEU 304 Ca 0.00 -0.77 -0.75 0.00 0.09 0.00 0.00 57.88 56.45 3mb7 h LEU 304 Cb 0.58 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.08 3mb7 h LEU 304 CO 0.00 1.69 1.61 0.18 0.09 0.00 0.00 178.44 182.01 3mb7 n LEU 305 N -3.90 5.76 -4.37 1.67 4.77 -0.49 -4.42 117.00 116.01 3mb7 n LEU 305 Ca -0.31 -4.53 -0.32 0.00 -0.03 0.00 0.00 56.01 50.82 3mb7 n LEU 305 Cb 0.89 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.27 3mb7 n LEU 305 CO 0.34 0.97 -0.51 -0.13 -1.33 0.00 0.00 177.39 176.73 3mb7 s ARG 306 N 1.11 2.54 0.13 3.23 1.81 -1.26 -4.89 118.95 121.62 3mb7 s ARG 306 Ca 0.42 -0.81 -0.25 0.00 -1.72 0.00 0.00 55.73 53.37 3mb7 s ARG 306 Cb 0.02 -2.27 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 3mb7 s ARG 306 CO 0.00 0.49 1.64 1.88 -0.68 0.00 0.00 175.30 178.63 3mb7 h TYR 307 N 5.75 -0.66 -2.72 -0.53 0.05 -1.93 -3.39 116.97 113.54 3mb7 h TYR 307 Ca -0.39 0.02 -0.57 0.00 0.05 0.00 0.00 58.73 57.84 3mb7 h TYR 307 Cb 1.16 0.30 -0.03 0.00 1.01 0.00 0.00 36.73 39.17 3mb7 h TYR 307 CO 0.45 -0.34 1.22 0.34 -1.05 0.00 0.00 178.16 178.79 3mb7 s ASP 308 N -4.92 6.06 0.45 3.88 -1.08 -1.26 -4.70 116.67 115.10 3mb7 s ASP 308 Ca -0.15 1.39 0.13 0.00 -0.52 0.00 0.00 52.55 53.40 3mb7 s ASP 308 Cb 0.09 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.07 3mb7 s ASP 308 CO 0.66 -1.56 2.04 1.12 0.52 0.00 0.00 175.17 177.95 3mb7 h HIS 309 N 12.13 0.36 0.00 -5.34 2.07 -1.96 -0.27 115.15 122.13 3mb7 h HIS 309 Ca -0.34 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.18 3mb7 h HIS 309 Cb 1.16 -0.12 -0.00 0.00 2.57 0.00 0.00 27.41 31.02 3mb7 h HIS 309 CO 0.94 0.20 -0.04 1.96 -3.07 0.00 0.00 177.93 177.92 3mb7 h GLN 310 N 0.36 0.00 0.00 5.12 4.20 -1.94 -3.06 115.11 119.79 3mb7 h GLN 310 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3mb7 h GLN 310 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3mb7 h GLN 310 CO -0.04 0.04 -0.82 0.77 -0.67 0.00 0.00 178.83 178.11 3mb7 h SER 311 N 0.00 0.00 -4.07 1.46 0.02 -1.43 -3.48 113.55 106.06 3mb7 h SER 311 Ca -0.00 -0.07 -0.51 0.00 -0.84 0.00 0.00 61.79 60.37 3mb7 h SER 311 Cb 0.29 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.91 3mb7 h SER 311 CO 0.01 0.03 0.47 -0.13 -1.14 0.00 0.00 176.83 176.07 3mb7 s ARG 312 N -3.30 3.33 0.30 3.45 0.52 -1.16 -4.96 118.95 117.13 3mb7 s ARG 312 Ca 0.02 1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 56.70 3mb7 s ARG 312 Cb 0.10 -2.10 -0.13 0.00 0.52 0.00 0.00 34.95 33.34 3mb7 s ARG 312 CO 0.76 -0.90 1.23 1.28 0.02 0.00 0.00 175.30 177.69 3mb7 n LEU 313 N -1.16 2.89 -4.81 2.53 4.77 -0.84 -5.02 117.00 115.37 3mb7 n LEU 313 Ca 0.11 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.98 3mb7 n LEU 313 Cb 0.49 -1.41 0.10 0.00 -2.33 0.00 0.00 43.42 40.27 3mb7 n LEU 313 CO 0.45 -0.77 0.72 0.42 -1.33 0.00 0.00 177.39 176.88 3mb7 s THR 314 N -0.84 2.83 0.23 -5.08 -4.23 -1.26 -4.83 115.64 102.47 3mb7 s THR 314 Ca 0.60 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 61.31 3mb7 s THR 314 Cb -0.63 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.37 3mb7 s THR 314 CO 0.59 -0.35 1.87 0.00 -0.54 0.00 0.00 174.62 176.19 3mb7 h ALA 315 N -1.14 1.14 -0.19 3.99 0.00 -1.93 0.13 119.26 121.25 3mb7 h ALA 315 Ca -0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3mb7 h ALA 315 Cb 1.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3mb7 h ALA 315 CO 0.60 0.38 -0.06 -0.09 0.00 0.00 0.00 179.25 180.08 3mb7 h ARG 316 N 1.06 0.38 -0.91 0.00 9.65 -1.93 -1.74 114.38 120.90 3mb7 h ARG 316 Ca 0.35 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 59.12 3mb7 h ARG 316 Cb 0.03 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 3mb7 h ARG 316 CO -0.13 0.65 0.59 0.93 2.80 0.00 0.00 179.97 184.81 3mb7 h GLU 317 N 0.09 1.08 -1.00 0.20 5.08 -1.88 -2.19 114.58 115.95 3mb7 h GLU 317 Ca 0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3mb7 h GLU 317 Cb 0.52 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3mb7 h GLU 317 CO 0.02 0.71 0.66 0.00 -1.00 0.00 0.00 179.01 179.41 3mb7 h ALA 318 N 1.39 1.30 0.00 3.43 0.00 -0.44 -1.25 119.26 123.68 3mb7 h ALA 318 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3mb7 h ALA 318 Cb 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3mb7 h ALA 318 CO -0.14 0.62 0.00 0.52 0.00 0.00 0.00 179.25 180.25 3mb7 h MET 319 N 1.32 0.00 0.00 0.00 2.86 -0.68 -1.70 114.93 116.74 3mb7 h MET 319 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3mb7 h MET 319 Cb -0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3mb7 h MET 319 CO -0.10 0.00 -0.07 0.39 1.06 0.00 0.00 176.91 178.19 3mb7 n GLU 320 N -2.83 0.01 -2.19 1.72 -0.58 -0.48 -4.90 120.64 111.39 3mb7 n GLU 320 Ca -0.00 0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3mb7 n GLU 320 Cb 0.19 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 3mb7 n GLU 320 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3mb7 s HIS 321 N -3.00 2.88 0.58 -0.32 2.46 -0.64 -4.92 115.29 112.33 3mb7 s HIS 321 Ca 0.13 1.50 0.29 0.00 0.47 0.00 0.00 55.06 57.45 3mb7 s HIS 321 Cb 0.19 -3.48 1.50 0.00 -0.13 0.00 0.00 32.58 30.66 3mb7 s HIS 321 CO 0.56 -1.67 1.94 -1.35 -2.47 0.00 0.00 174.74 171.75 3mb7 h PRO 322 N 2.33 0.00 -0.85 2.88 0.11 -1.93 -1.35 132.00 133.19 3mb7 h PRO 322 Ca -0.49 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.85 3mb7 h PRO 322 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3mb7 h PRO 322 CO 0.61 0.00 0.60 -0.92 -0.21 0.00 0.00 178.00 178.08 3mb7 h TYR 323 N 0.00 0.08 -0.02 0.65 3.20 -1.91 -1.52 116.97 117.44 3mb7 h TYR 323 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3mb7 h TYR 323 Cb 1.05 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3mb7 h TYR 323 CO 0.00 0.02 -0.05 1.19 -1.64 0.00 0.00 178.16 177.68 3mb7 n PHE 324 N -4.32 0.00 -0.03 -3.82 3.72 -0.51 -4.38 117.46 108.12 3mb7 n PHE 324 Ca 0.17 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.66 3mb7 n PHE 324 Cb 0.88 -0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.89 3mb7 n PHE 324 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3mb7 h TYR 325 N 3.76 0.43 0.00 1.38 0.05 -1.41 -2.13 116.97 119.06 3mb7 h TYR 325 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3mb7 h TYR 325 Cb 0.83 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3mb7 h TYR 325 CO 0.00 0.24 -0.01 -2.37 -1.05 0.00 0.00 178.16 174.97 3mb7 n THR 326 N -4.48 0.33 -2.83 -2.88 5.66 -1.26 -4.81 114.28 104.02 3mb7 n THR 326 Ca 0.06 -0.16 -0.42 0.00 -3.05 0.00 0.00 64.05 60.48 3mb7 n THR 326 Cb 0.23 -0.54 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 3mb7 n THR 326 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3mb7 s VAL 327 N -3.06 4.84 0.08 1.08 1.01 -0.80 -5.01 120.40 118.53 3mb7 s VAL 327 Ca 0.12 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 63.52 3mb7 s VAL 327 Cb 0.15 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3mb7 s VAL 327 CO 0.57 -0.02 1.54 -0.69 0.00 0.00 0.00 175.10 176.51 3mb7 s VAL 328 N 2.36 3.15 0.17 2.92 1.01 -1.26 -5.01 120.40 123.75 3mb7 s VAL 328 Ca 0.40 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 3mb7 s VAL 328 Cb -0.16 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 3mb7 s VAL 328 CO 0.12 0.02 0.42 -0.54 0.00 0.00 0.00 175.10 175.11 3mb7 s LYS 329 N 2.10 3.65 0.26 2.72 -0.14 -1.26 -5.06 119.74 122.01 3mb7 s LYS 329 Ca 0.70 -0.03 -0.30 0.00 -1.36 0.00 0.00 55.97 54.97 3mb7 s LYS 329 Cb -0.38 -2.80 -0.11 0.00 -1.68 0.00 0.00 37.83 32.87 3mb7 s LYS 329 CO 0.30 0.42 1.54 -0.51 -0.76 0.00 0.00 175.35 176.34 3mb7 s ASP 330 N -2.52 6.50 0.00 2.83 -0.00 -1.26 -5.31 116.67 116.91 3mb7 s ASP 330 Ca 0.42 2.81 0.00 0.00 -0.00 0.00 0.00 52.55 55.78 3mb7 s ASP 330 Cb -0.12 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.18 3mb7 s ASP 330 CO 0.25 -0.82 0.00 1.67 -0.00 0.00 0.00 175.17 176.26