#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ava s ASP 2 N 0.00 1.99 0.52 0.00 1.47 -1.26 -4.94 116.67 114.46 1ava s ASP 2 Ca 0.00 1.25 -0.21 0.00 1.18 0.00 0.00 52.55 54.77 1ava s ASP 2 Cb 0.00 -1.96 -0.07 0.00 -0.34 0.00 0.00 42.92 40.55 1ava s ASP 2 CO 0.00 -3.54 0.96 -2.65 0.68 0.00 0.00 175.17 170.62 1ava n PRO 3 N -4.45 1.09 -1.18 2.11 -0.02 -1.26 -4.98 135.00 126.30 1ava n PRO 3 Ca 0.04 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 1ava n PRO 3 Cb 0.57 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 1ava n PRO 3 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ava s PRO 4 N -2.40 1.53 0.63 0.52 0.04 -1.26 -4.65 135.00 129.41 1ava s PRO 4 Ca 0.70 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1ava s PRO 4 Cb -0.47 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1ava s PRO 4 CO 0.52 -2.10 1.03 -1.25 0.04 0.00 0.00 177.00 175.25 1ava s PRO 5 N -4.90 3.51 0.11 0.56 0.04 -1.26 -1.54 135.00 131.51 1ava s PRO 5 Ca 0.63 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 1ava s PRO 5 Cb -0.18 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1ava s PRO 5 CO 0.57 -0.64 0.58 0.08 0.04 0.00 0.00 177.00 177.62 1ava s VAL 6 N -3.13 4.75 0.21 -0.36 1.01 -0.76 -4.72 120.40 117.41 1ava s VAL 6 Ca 0.56 1.12 0.09 0.00 0.00 0.00 0.00 61.98 63.75 1ava s VAL 6 Cb -0.11 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1ava s VAL 6 CO 0.53 0.43 -0.09 -1.00 0.00 0.00 0.00 175.10 174.98 1ava s HIS 7 N -1.25 2.61 0.58 5.22 3.76 -1.26 -0.97 115.29 123.98 1ava s HIS 7 Ca 0.33 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1ava s HIS 7 Cb -0.18 -1.23 0.11 0.00 1.11 0.00 0.00 32.58 32.39 1ava s HIS 7 CO 0.19 0.56 0.80 -0.40 -0.85 0.00 0.00 174.74 175.04 1ava n ASP 8 N -0.25 1.34 0.19 1.40 5.68 0.20 -4.60 116.55 120.50 1ava n ASP 8 Ca -0.09 -2.07 0.13 0.00 -0.50 0.00 0.00 54.79 52.26 1ava n ASP 8 Cb 0.57 -0.49 0.67 0.00 -1.14 0.00 0.00 41.12 40.73 1ava n ASP 8 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1ava h THR 9 N -0.38 0.00 -0.02 2.12 1.35 -0.84 -1.00 112.91 114.13 1ava h THR 9 Ca -0.27 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1ava h THR 9 Cb 1.05 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1ava h THR 9 CO 0.31 0.00 -0.05 0.47 -0.25 0.00 0.00 175.52 176.00 1ava n ASP 10 N -2.40 2.44 0.00 5.36 8.00 -1.26 -4.95 116.55 123.73 1ava n ASP 10 Ca -0.01 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1ava n ASP 10 Cb 0.08 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1ava n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ava n GLY 11 N 1.31 0.96 3.83 0.44 0.00 -0.38 -5.05 105.19 106.29 1ava n GLY 11 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1ava n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ava s HIS 12 N -2.36 3.36 0.49 1.61 3.76 -1.26 -4.66 115.29 116.23 1ava s HIS 12 Ca 0.00 1.52 -0.21 0.00 -0.15 0.00 0.00 55.06 56.22 1ava s HIS 12 Cb 0.00 -2.79 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 1ava s HIS 12 CO 0.00 -0.16 1.10 -1.21 -0.85 0.00 0.00 174.74 173.62 1ava s GLU 13 N -3.42 3.65 0.21 1.40 8.01 -1.26 0.59 118.70 127.88 1ava s GLU 13 Ca 0.60 1.57 -0.30 0.00 0.01 0.00 0.00 54.97 56.85 1ava s GLU 13 Cb -0.09 -2.18 -0.09 0.00 -4.31 0.00 0.00 34.13 27.47 1ava s GLU 13 CO 0.19 -0.59 1.21 -0.51 0.01 0.00 0.00 175.26 175.56 1ava s LEU 14 N -3.42 4.46 -0.10 1.80 1.43 -0.14 -4.76 118.68 117.95 1ava s LEU 14 Ca 0.68 2.30 -0.03 0.00 -1.03 0.00 0.00 54.13 56.05 1ava s LEU 14 Cb -0.23 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1ava s LEU 14 CO 0.27 -0.37 0.02 -0.13 0.23 0.00 0.00 176.35 176.36 1ava s ARG 15 N -0.51 3.11 0.00 1.70 1.81 -1.26 -1.39 118.95 122.40 1ava s ARG 15 Ca 0.52 -0.38 0.17 0.00 -1.72 0.00 0.00 55.73 54.31 1ava s ARG 15 Cb -0.34 -2.86 0.79 0.00 -0.45 0.00 0.00 34.95 32.10 1ava s ARG 15 CO 0.39 0.67 1.50 0.00 -0.68 0.00 0.00 175.30 177.18 1ava n ALA 16 N 2.26 1.86 -0.08 2.13 0.00 -0.03 -2.50 120.51 124.14 1ava n ALA 16 Ca -0.19 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.22 1ava n ALA 16 Cb 0.54 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 18.81 1ava n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ava n ASP 17 N -1.36 2.52 -4.69 0.00 5.75 -1.26 -4.73 116.55 112.78 1ava n ASP 17 Ca 0.07 -1.95 -0.24 0.00 -0.01 0.00 0.00 54.79 52.65 1ava n ASP 17 Cb 0.15 -0.14 -0.07 0.00 -1.03 0.00 0.00 41.12 40.03 1ava n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ava s ALA 18 N -0.97 3.39 0.03 2.12 0.00 -1.04 -5.10 121.76 120.19 1ava s ALA 18 Ca 0.14 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.19 1ava s ALA 18 Cb 0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1ava s ALA 18 CO 0.10 0.02 0.05 -0.80 0.00 0.00 0.00 175.76 175.13 1ava s ASN 19 N -3.80 5.42 0.02 0.00 0.02 -1.26 -4.56 114.94 110.78 1ava s ASN 19 Ca 0.37 0.03 0.00 0.00 -1.02 0.00 0.00 52.86 52.25 1ava s ASN 19 Cb -0.01 -1.47 -0.02 0.00 0.02 0.00 0.00 41.25 39.78 1ava s ASN 19 CO 0.21 0.24 -0.03 -0.31 0.02 0.00 0.00 177.10 177.23 1ava s TYR 20 N -1.22 0.26 -0.12 2.20 2.02 0.08 -1.08 117.35 119.49 1ava s TYR 20 Ca 0.24 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 1ava s TYR 20 Cb -0.12 -0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 41.21 1ava s TYR 20 CO 0.15 -0.13 0.31 0.71 -1.57 0.00 0.00 175.55 175.02 1ava s TYR 21 N -1.08 3.54 -0.45 2.71 2.02 0.47 0.79 117.35 125.34 1ava s TYR 21 Ca -0.11 0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 57.14 1ava s TYR 21 Cb -0.08 -2.30 0.07 0.00 -0.40 0.00 0.00 41.96 39.26 1ava s TYR 21 CO -0.01 0.38 0.35 0.14 -1.57 0.00 0.00 175.55 174.84 1ava s VAL 22 N -0.02 5.00 0.35 0.71 -7.23 -1.26 -1.04 120.40 116.91 1ava s VAL 22 Ca 0.18 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 1ava s VAL 22 Cb -0.14 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 32.81 1ava s VAL 22 CO 0.06 -0.52 0.29 -0.76 -0.31 0.00 0.00 175.10 173.86 1ava s LEU 23 N 1.60 3.52 0.29 1.32 1.02 0.56 -2.95 118.68 124.04 1ava s LEU 23 Ca 0.04 -0.58 -0.29 0.00 0.02 0.00 0.00 54.13 53.32 1ava s LEU 23 Cb -0.23 -2.12 -0.10 0.00 0.02 0.00 0.00 46.19 43.76 1ava s LEU 23 CO 0.06 -0.41 1.13 -0.44 0.02 0.00 0.00 176.35 176.72 1ava s SER 24 N -4.00 7.16 0.20 2.29 0.01 -1.26 0.23 113.70 118.33 1ava s SER 24 Ca 0.42 2.33 -0.08 0.00 1.31 0.00 0.00 55.95 59.93 1ava s SER 24 Cb -0.05 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.68 1ava s SER 24 CO 0.26 -0.22 1.69 0.00 0.41 0.00 0.00 173.24 175.39 1ava h ALA 25 N 3.69 0.92 -3.02 1.44 0.00 -1.57 -3.36 119.26 117.37 1ava h ALA 25 Ca -0.47 -0.28 -0.70 0.00 0.00 0.00 0.00 54.91 53.46 1ava h ALA 25 Cb 1.21 -0.25 -0.31 0.00 0.00 0.00 0.00 17.79 18.45 1ava h ALA 25 CO 0.66 0.66 -0.53 1.21 0.00 0.00 0.00 179.25 181.26 1ava s ASN 26 N -6.52 5.40 0.65 0.00 3.84 -1.26 -4.97 114.94 112.07 1ava s ASN 26 Ca -0.12 -1.62 0.26 0.00 0.21 0.00 0.00 52.86 51.59 1ava s ASN 26 Cb 0.14 -1.89 1.38 0.00 -0.55 0.00 0.00 41.25 40.34 1ava s ASN 26 CO 0.85 -0.49 1.79 -0.09 -2.79 0.00 0.00 177.10 176.36 1ava h ARG 27 N 8.23 0.00 0.00 0.43 9.65 -1.85 0.16 114.38 131.01 1ava h ARG 27 Ca -0.20 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1ava h ARG 27 Cb 1.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1ava h ARG 27 CO 0.70 0.00 -0.02 0.00 2.80 0.00 0.00 179.97 183.46 1ava h ALA 28 N 1.18 1.05 -0.00 2.80 0.00 -1.94 -2.25 119.26 120.10 1ava h ALA 28 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ava h ALA 28 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ava h ALA 28 CO -0.00 0.02 -0.08 0.72 0.00 0.00 0.00 179.25 179.91 1ava n HIS 29 N -3.18 0.00 0.00 0.00 8.25 0.57 -5.04 115.22 115.82 1ava n HIS 29 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ava n HIS 29 Cb 0.16 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1ava n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ava n GLY 30 N 1.26 0.77 0.00 -1.41 0.00 -0.85 -4.99 105.19 99.97 1ava n GLY 30 Ca 0.15 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ava n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ava n GLY 31 N -0.86 0.84 3.92 -0.02 0.00 0.17 -4.26 105.19 104.97 1ava n GLY 31 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1ava n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ava s GLY 32 N -0.49 1.70 0.40 -0.02 0.00 0.15 -4.21 107.32 104.85 1ava s GLY 32 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1ava s GLY 32 CO 0.00 -0.35 0.90 1.08 0.00 0.00 0.00 173.10 174.73 1ava s LEU 33 N -5.72 3.99 0.00 0.66 1.02 -1.15 -1.29 118.68 116.19 1ava s LEU 33 Ca 0.68 1.60 0.00 0.00 0.02 0.00 0.00 54.13 56.43 1ava s LEU 33 Cb -0.07 -4.41 0.00 0.00 0.02 0.00 0.00 46.19 41.73 1ava s LEU 33 CO 0.51 -0.31 0.00 0.35 0.02 0.00 0.00 176.35 176.92 1ava n THR 34 N -0.52 0.00 -4.37 5.49 -2.24 0.63 -0.88 114.28 112.39 1ava n THR 34 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 1ava n THR 34 Cb 0.54 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1ava n THR 34 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1ava s MET 35 N 0.30 1.01 -0.11 -0.78 -1.94 -1.26 -0.98 119.30 115.54 1ava s MET 35 Ca 0.00 -0.86 -0.30 0.00 -1.71 0.00 0.00 55.69 52.82 1ava s MET 35 Cb 0.00 -1.07 0.11 0.00 2.01 0.00 0.00 34.83 35.89 1ava s MET 35 CO 0.00 0.26 0.92 0.00 -0.01 0.00 0.00 175.02 176.19 1ava s ALA 36 N -0.94 -1.88 0.78 3.03 0.00 -0.65 -4.81 121.76 117.29 1ava s ALA 36 Ca 0.02 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 1ava s ALA 36 Cb -0.09 -0.37 0.12 0.00 0.00 0.00 0.00 23.12 22.78 1ava s ALA 36 CO 0.02 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.22 1ava s PRO 37 N -1.52 1.64 0.00 0.00 0.04 -1.26 -0.42 135.00 133.48 1ava s PRO 37 Ca -0.02 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1ava s PRO 37 Cb -0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1ava s PRO 37 CO 0.01 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1ava n GLY 38 N -3.12 0.82 2.41 0.56 0.00 -1.14 -4.75 105.19 99.97 1ava n GLY 38 Ca 0.12 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1ava n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ava n HIS 39 N -0.27 -1.11 -0.04 1.61 8.25 0.14 -1.45 115.22 122.36 1ava n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ava n HIS 39 Cb 0.00 -3.50 0.00 0.00 1.12 0.00 0.00 29.99 27.61 1ava n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ava n GLY 40 N -0.91 1.51 3.76 -1.41 0.00 -1.26 -5.00 105.19 101.88 1ava n GLY 40 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1ava n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ava s ARG 41 N -0.48 4.30 -0.20 1.61 0.52 -0.52 -4.95 118.95 119.22 1ava s ARG 41 Ca 0.00 0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 55.85 1ava s ARG 41 Cb 0.00 -3.34 -0.21 0.00 0.52 0.00 0.00 34.95 31.92 1ava s ARG 41 CO 0.00 0.37 0.06 0.72 0.02 0.00 0.00 175.30 176.47 1ava n HIS 42 N 2.72 0.65 -3.84 -0.53 8.25 -1.26 -2.90 115.22 118.31 1ava n HIS 42 Ca -0.07 0.16 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1ava n HIS 42 Cb 0.51 -1.08 -0.11 0.00 1.12 0.00 0.00 29.99 30.43 1ava n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ava s PRO 44 N -0.58 2.92 0.29 0.00 0.04 -1.26 -5.14 135.00 131.28 1ava s PRO 44 Ca -0.07 0.56 -0.23 0.00 0.04 0.00 0.00 61.00 61.30 1ava s PRO 44 Cb -0.04 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ava s PRO 44 CO 0.01 -1.01 0.86 -0.51 0.04 0.00 0.00 177.00 176.39 1ava s LEU 45 N -5.38 4.32 0.50 -3.56 1.02 -1.26 -4.87 118.68 109.45 1ava s LEU 45 Ca 0.58 1.67 -0.05 0.00 0.02 0.00 0.00 54.13 56.35 1ava s LEU 45 Cb -0.11 -3.88 -0.03 0.00 0.02 0.00 0.00 46.19 42.19 1ava s LEU 45 CO 0.53 -0.04 0.80 -0.36 0.02 0.00 0.00 176.35 177.29 1ava s PHE 46 N -1.61 3.48 -0.26 0.29 0.40 0.44 -2.05 117.98 118.68 1ava s PHE 46 Ca 0.48 0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 57.37 1ava s PHE 46 Cb -0.17 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 1ava s PHE 46 CO 0.22 -0.39 0.55 0.14 0.70 0.00 0.00 175.22 176.44 1ava s VAL 47 N -2.78 5.05 0.53 -0.44 -7.23 -0.90 -1.64 120.40 112.99 1ava s VAL 47 Ca 0.49 0.95 0.04 0.00 -1.81 0.00 0.00 61.98 61.65 1ava s VAL 47 Cb -0.10 -3.86 0.02 0.00 0.56 0.00 0.00 36.38 33.00 1ava s VAL 47 CO 0.44 0.08 0.26 -0.94 -0.31 0.00 0.00 175.10 174.63 1ava s SER 48 N 1.50 4.46 -0.05 4.85 1.04 -0.16 -1.10 113.70 124.24 1ava s SER 48 Ca 0.23 -1.38 0.05 0.00 0.48 0.00 0.00 55.95 55.33 1ava s SER 48 Cb -0.16 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1ava s SER 48 CO 0.09 -1.00 -0.20 -1.58 0.98 0.00 0.00 173.24 171.53 1ava s GLN 49 N -4.13 2.05 -0.02 4.02 0.74 -0.67 -0.27 119.66 121.37 1ava s GLN 49 Ca 0.25 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 1ava s GLN 49 Cb -0.01 -1.77 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 1ava s GLN 49 CO 0.15 0.30 1.11 0.34 -0.55 0.00 0.00 175.29 176.65 1ava s ASP 50 N -0.06 7.17 0.46 6.67 -1.08 -0.41 -4.48 116.67 124.94 1ava s ASP 50 Ca -0.03 1.78 0.18 0.00 -0.52 0.00 0.00 52.55 53.96 1ava s ASP 50 Cb -0.12 -2.57 1.09 0.00 -1.46 0.00 0.00 42.92 39.87 1ava s ASP 50 CO 0.03 -0.45 1.99 -0.65 0.52 0.00 0.00 175.17 176.61 1ava h PRO 51 N 7.07 0.00 -6.48 4.34 0.11 -1.92 0.49 132.00 135.61 1ava h PRO 51 Ca -0.37 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.17 1ava h PRO 51 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1ava h PRO 51 CO 0.83 0.19 1.07 1.21 -0.21 0.00 0.00 178.00 181.09 1ava s ASN 52 N -6.76 6.35 0.62 -2.05 3.84 -1.26 -3.95 114.94 111.73 1ava s ASN 52 Ca -0.03 0.95 0.32 0.00 0.21 0.00 0.00 52.86 54.31 1ava s ASN 52 Cb 0.15 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.10 1ava s ASN 52 CO 0.67 -1.40 2.09 1.23 -2.79 0.00 0.00 177.10 176.91 1ava h GLY 53 N 12.10 0.00 0.44 1.21 0.00 -1.81 -0.02 103.07 114.99 1ava h GLY 53 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ava h GLY 53 CO 1.07 0.00 -0.00 -1.06 0.00 0.00 0.00 176.54 176.55 1ava n GLN 54 N -3.42 1.25 -3.94 4.80 3.00 -1.26 -4.59 117.38 113.22 1ava n GLN 54 Ca 0.00 -0.37 -0.35 0.00 -0.01 0.00 0.00 57.00 56.27 1ava n GLN 54 Cb 0.31 -1.49 -0.08 0.00 0.00 0.00 0.00 30.24 28.98 1ava n GLN 54 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1ava s HIS 55 N -2.00 3.36 -0.33 1.08 3.76 -0.03 -4.99 115.29 116.14 1ava s HIS 55 Ca 0.44 0.25 0.23 0.00 -0.15 0.00 0.00 55.06 55.83 1ava s HIS 55 Cb 0.22 -2.04 0.15 0.00 1.11 0.00 0.00 32.58 32.02 1ava s HIS 55 CO 0.36 0.35 1.30 -0.44 -0.85 0.00 0.00 174.74 175.46 1ava h ASP 56 N 6.15 0.00 0.00 1.40 3.32 -1.87 0.46 116.42 125.88 1ava h ASP 56 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ava h ASP 56 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1ava h ASP 56 CO 0.68 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 1ava n GLY 57 N 1.15 -0.93 3.92 2.75 0.00 -1.26 -3.76 105.19 107.05 1ava n GLY 57 Ca 0.02 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1ava n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ava s PHE 58 N 0.00 3.49 0.44 1.61 0.08 -0.06 -4.95 117.98 118.59 1ava s PHE 58 Ca 0.00 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.21 1ava s PHE 58 Cb 0.00 -1.88 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 1ava s PHE 58 CO 0.00 0.44 1.08 -2.14 -0.10 0.00 0.00 175.22 174.51 1ava s PRO 59 N -2.94 3.92 0.09 0.24 0.02 -1.26 -4.63 135.00 130.44 1ava s PRO 59 Ca 0.39 1.56 0.10 0.00 0.02 0.00 0.00 61.00 63.06 1ava s PRO 59 Cb -0.12 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.99 1ava s PRO 59 CO 0.27 -0.36 -0.25 0.08 -0.33 0.00 0.00 177.00 176.41 1ava s VAL 60 N -1.70 2.35 -0.16 3.83 1.01 0.24 -0.22 120.40 125.74 1ava s VAL 60 Ca 0.62 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1ava s VAL 60 Cb -0.23 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1ava s VAL 60 CO 0.28 0.21 -0.20 -0.60 0.00 0.00 0.00 175.10 174.78 1ava s ARG 61 N -1.74 3.04 -0.30 2.72 6.06 0.58 -0.74 118.95 128.58 1ava s ARG 61 Ca 0.14 -0.83 -0.05 0.00 -2.50 0.00 0.00 55.73 52.48 1ava s ARG 61 Cb -0.10 -2.51 0.02 0.00 0.06 0.00 0.00 34.95 32.42 1ava s ARG 61 CO 0.05 -0.08 0.05 0.42 -2.50 0.00 0.00 175.30 173.24 1ava s ILE 62 N 0.98 3.62 -0.12 4.11 1.01 -1.26 -1.69 121.20 127.85 1ava s ILE 62 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1ava s ILE 62 Cb -0.15 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1ava s ILE 62 CO -0.05 0.03 -0.19 0.42 0.00 0.00 0.00 174.94 175.15 1ava s THR 63 N 1.42 2.51 0.63 2.92 -4.23 0.47 -4.46 115.64 114.91 1ava s THR 63 Ca 0.01 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1ava s THR 63 Cb -0.18 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 1ava s THR 63 CO 0.01 0.54 0.63 -2.65 -0.54 0.00 0.00 174.62 172.61 1ava n PRO 64 N 3.56 0.52 -3.56 3.99 -0.02 -1.26 -0.18 135.00 138.05 1ava n PRO 64 Ca -0.19 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1ava n PRO 64 Cb 0.53 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 1ava n PRO 64 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ava s TYR 65 N -1.74 3.56 0.18 6.00 5.04 -0.72 -4.64 117.35 125.03 1ava s TYR 65 Ca 0.70 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1ava s TYR 65 Cb -0.40 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 39.75 1ava s TYR 65 CO 0.54 0.48 0.00 0.41 -1.34 0.00 0.00 175.55 175.64 1ava n GLY 66 N 0.70 -1.61 3.62 8.97 0.00 -1.26 -4.80 105.19 110.81 1ava n GLY 66 Ca -0.06 -1.34 -0.62 0.00 0.00 0.00 0.00 46.02 44.00 1ava n GLY 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ava n VAL 67 N -2.73 0.01 -2.31 1.61 3.14 -1.26 -4.90 118.33 111.89 1ava n VAL 67 Ca 0.01 -0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1ava n VAL 67 Cb 0.35 -0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.80 1ava n VAL 67 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ava s ALA 68 N 1.43 3.27 0.21 1.55 0.00 -1.26 -5.02 121.76 121.94 1ava s ALA 68 Ca 0.97 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 1ava s ALA 68 Cb -1.34 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 18.32 1ava s ALA 68 CO 0.67 -0.45 0.96 -1.25 0.00 0.00 0.00 175.76 175.69 1ava s PRO 69 N -2.02 4.80 0.25 0.00 0.04 -1.26 -4.98 135.00 131.84 1ava s PRO 69 Ca 0.53 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 1ava s PRO 69 Cb -0.32 -3.29 0.27 0.00 0.04 0.00 0.00 34.50 31.20 1ava s PRO 69 CO 0.41 0.42 1.86 0.66 0.04 0.00 0.00 177.00 180.39 1ava h SER 70 N 4.46 1.04 0.51 6.66 4.64 -1.98 -2.07 113.55 126.81 1ava h SER 70 Ca -0.45 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1ava h SER 70 Cb 1.20 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ava h SER 70 CO 0.69 0.86 0.00 -0.90 -0.87 0.00 0.00 176.83 176.61 1ava n ASP 71 N -4.33 0.02 -0.95 4.97 5.68 -1.26 -4.87 116.55 115.81 1ava n ASP 71 Ca 0.08 0.50 -0.12 0.00 -0.50 0.00 0.00 54.79 54.75 1ava n ASP 71 Cb 0.12 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.54 1ava n ASP 71 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ava n LYS 72 N -1.52 -1.35 -3.00 0.11 4.76 -0.78 -4.97 118.16 111.41 1ava n LYS 72 Ca 0.03 0.91 -0.40 0.00 -2.87 0.00 0.00 58.31 55.99 1ava n LYS 72 Cb 0.17 -5.16 -0.04 0.00 -1.84 0.00 0.00 35.03 28.16 1ava n LYS 72 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ava s ILE 73 N -2.22 5.02 -0.26 -0.18 -1.09 -1.26 -0.85 121.20 120.37 1ava s ILE 73 Ca 0.00 1.52 -0.25 0.00 -2.23 0.00 0.00 60.65 59.69 1ava s ILE 73 Cb 0.00 -4.07 -0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1ava s ILE 73 CO 0.00 0.24 0.87 -0.63 -1.23 0.00 0.00 174.94 174.18 1ava s ILE 74 N 0.86 4.78 0.28 2.92 -1.09 -0.49 -4.92 121.20 123.54 1ava s ILE 74 Ca 0.39 1.57 0.07 0.00 -2.23 0.00 0.00 60.65 60.46 1ava s ILE 74 Cb -0.18 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 1ava s ILE 74 CO 0.19 -0.15 0.21 -0.13 -1.23 0.00 0.00 174.94 173.83 1ava s ARG 75 N 2.97 2.83 0.74 2.79 0.52 -1.26 -1.83 118.95 125.71 1ava s ARG 75 Ca 0.36 -1.15 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 1ava s ARG 75 Cb -0.15 -2.51 0.03 0.00 0.52 0.00 0.00 34.95 32.84 1ava s ARG 75 CO 0.09 0.31 1.07 -0.51 0.02 0.00 0.00 175.30 176.28 1ava s LEU 76 N -3.88 2.99 -1.34 2.53 1.43 -0.59 -3.83 118.68 115.99 1ava s LEU 76 Ca 0.35 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 55.05 1ava s LEU 76 Cb -0.07 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.76 1ava s LEU 76 CO 0.25 -1.73 0.16 -1.20 0.23 0.00 0.00 176.35 174.06 1ava n SER 77 N -3.31 -4.70 -4.13 2.29 7.64 0.11 -4.69 113.62 106.83 1ava n SER 77 Ca 0.08 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.68 1ava n SER 77 Cb 0.54 -3.92 -0.16 0.00 -1.01 0.00 0.00 64.21 59.66 1ava n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ava s THR 78 N -2.85 1.51 0.15 0.44 2.01 -1.25 -5.02 115.64 110.64 1ava s THR 78 Ca 0.10 -0.73 -0.33 0.00 0.31 0.00 0.00 61.69 61.04 1ava s THR 78 Cb -0.05 -1.32 -0.13 0.00 0.01 0.00 0.00 72.50 71.02 1ava s THR 78 CO 0.12 0.44 1.69 0.47 -0.69 0.00 0.00 174.62 176.65 1ava n ASP 79 N 3.42 3.58 -3.96 3.53 8.00 -1.26 -4.43 116.55 125.43 1ava n ASP 79 Ca -0.20 1.05 -0.08 0.00 0.71 0.00 0.00 54.79 56.27 1ava n ASP 79 Cb 0.52 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 1ava n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ava s VAL 80 N 1.54 0.16 -0.04 2.53 0.11 -0.14 -1.75 120.40 122.81 1ava s VAL 80 Ca 0.79 -1.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.42 1ava s VAL 80 Cb -0.59 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 1ava s VAL 80 CO 0.37 -0.71 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.18 1ava s ARG 81 N -3.91 2.50 -0.03 1.54 0.52 0.75 -1.42 118.95 118.91 1ava s ARG 81 Ca 0.08 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1ava s ARG 81 Cb 0.06 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1ava s ARG 81 CO -0.08 0.62 -0.13 0.42 0.02 0.00 0.00 175.30 176.15 1ava s ILE 82 N -0.79 1.08 0.03 1.52 1.01 -1.26 -0.40 121.20 122.40 1ava s ILE 82 Ca 0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1ava s ILE 82 Cb -0.11 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 1ava s ILE 82 CO 0.02 0.32 0.14 -0.94 0.00 0.00 0.00 174.94 174.48 1ava s SER 83 N 0.14 0.09 0.23 3.58 1.04 -0.68 -1.01 113.70 117.09 1ava s SER 83 Ca -0.04 -0.40 -0.20 0.00 0.48 0.00 0.00 55.95 55.80 1ava s SER 83 Cb -0.10 0.24 -0.08 0.00 0.10 0.00 0.00 66.02 66.18 1ava s SER 83 CO 0.01 -0.49 0.73 -0.36 0.98 0.00 0.00 173.24 174.12 1ava s PHE 84 N -2.28 3.65 -1.14 5.02 0.08 -1.13 -0.31 117.98 121.88 1ava s PHE 84 Ca -0.08 1.40 -0.07 0.00 0.12 0.00 0.00 56.93 58.30 1ava s PHE 84 Cb -0.03 -2.63 0.26 0.00 -0.57 0.00 0.00 43.02 40.05 1ava s PHE 84 CO -0.03 0.33 1.45 0.54 -0.10 0.00 0.00 175.22 177.41 1ava n ARG 85 N 0.72 3.94 -3.81 0.44 5.12 0.69 -4.88 116.66 118.88 1ava n ARG 85 Ca -0.02 -4.27 -0.10 0.00 -1.93 0.00 0.00 57.85 51.54 1ava n ARG 85 Cb 0.51 -2.66 -0.05 0.00 -1.16 0.00 0.00 32.46 29.10 1ava n ARG 85 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ava s ALA 86 N -1.31 -0.62 -0.13 7.54 0.00 -1.26 -4.54 121.76 121.45 1ava s ALA 86 Ca 0.34 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.69 1ava s ALA 86 Cb 0.01 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1ava s ALA 86 CO 0.02 -0.74 0.41 1.52 0.00 0.00 0.00 175.76 176.97 1ava s TYR 87 N -3.90 3.50 -0.08 0.00 1.13 -1.26 -5.00 117.35 111.74 1ava s TYR 87 Ca 0.11 0.78 0.02 0.00 -1.41 0.00 0.00 57.07 56.58 1ava s TYR 87 Cb 0.01 -2.46 -0.02 0.00 -1.10 0.00 0.00 41.96 38.38 1ava s TYR 87 CO -0.02 0.21 -0.12 0.99 -2.51 0.00 0.00 175.55 174.10 1ava s THR 88 N 0.49 3.19 0.45 -3.49 2.01 -1.26 -4.99 115.64 112.04 1ava s THR 88 Ca 0.22 -0.66 0.34 0.00 0.31 0.00 0.00 61.69 61.91 1ava s THR 88 Cb -0.14 -2.29 0.37 0.00 0.01 0.00 0.00 72.50 70.45 1ava s THR 88 CO 0.08 0.57 2.17 0.71 -0.69 0.00 0.00 174.62 177.46 1ava h THR 89 N 4.63 0.27 0.00 -0.82 1.35 -1.98 -1.78 112.91 114.58 1ava h THR 89 Ca -0.41 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1ava h THR 89 Cb 1.17 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1ava h THR 89 CO 0.52 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 1ava n LEU 91 N -2.50 -3.00 -4.51 0.00 4.32 -0.67 -4.98 117.00 105.66 1ava n LEU 91 Ca 0.05 -0.67 -0.24 0.00 -0.02 0.00 0.00 56.01 55.13 1ava n LEU 91 Cb 0.45 -2.79 -0.11 0.00 -1.62 0.00 0.00 43.42 39.35 1ava n LEU 91 CO 0.31 0.54 -0.28 -1.10 -1.22 0.00 0.00 177.39 175.64 1ava s GLN 92 N -6.42 1.76 0.32 3.23 -0.21 -1.26 -5.10 119.66 111.98 1ava s GLN 92 Ca 0.58 -1.98 -0.29 0.00 0.02 0.00 0.00 55.36 53.69 1ava s GLN 92 Cb -0.27 -1.17 -0.13 0.00 1.00 0.00 0.00 33.01 32.45 1ava s GLN 92 CO 0.78 -0.12 1.30 0.45 -2.12 0.00 0.00 175.29 175.58 1ava n SER 93 N -0.78 2.70 -1.55 5.90 2.88 -1.26 -4.80 113.62 116.71 1ava n SER 93 Ca -0.03 1.19 0.10 0.00 -1.33 0.00 0.00 58.87 58.80 1ava n SER 93 Cb 0.67 -1.47 0.35 0.00 -0.75 0.00 0.00 64.21 63.01 1ava n SER 93 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ava n THR 94 N 0.66 1.59 -2.62 2.46 5.66 -1.26 -0.21 114.28 120.56 1ava n THR 94 Ca 0.06 -1.13 -0.39 0.00 -3.05 0.00 0.00 64.05 59.55 1ava n THR 94 Cb 0.35 0.23 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 1ava n THR 94 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1ava s GLU 95 N -1.60 4.57 0.25 1.09 2.12 -1.26 -2.82 118.70 121.05 1ava s GLU 95 Ca 0.51 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 57.11 1ava s GLU 95 Cb 0.31 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1ava s GLU 95 CO 0.28 0.22 0.94 -1.58 -0.54 0.00 0.00 175.26 174.58 1ava s TRP 96 N -1.38 3.96 -0.18 5.30 0.52 -0.18 -3.67 118.94 123.32 1ava s TRP 96 Ca 0.48 1.90 -0.22 0.00 0.02 0.00 0.00 56.10 58.29 1ava s TRP 96 Cb -0.25 -2.97 0.06 0.00 -1.15 0.00 0.00 33.47 29.15 1ava s TRP 96 CO 0.32 0.43 0.58 -3.38 0.02 0.00 0.00 176.95 174.92 1ava s HIS 97 N -1.23 -0.61 0.12 -1.98 -3.43 -0.25 -4.49 115.29 103.42 1ava s HIS 97 Ca 0.42 1.39 -0.31 0.00 -0.80 0.00 0.00 55.06 55.76 1ava s HIS 97 Cb -0.25 0.24 -0.08 0.00 -1.43 0.00 0.00 32.58 31.06 1ava s HIS 97 CO 0.31 -0.36 1.37 -1.50 -2.00 0.00 0.00 174.74 172.56 1ava s ILE 98 N -0.07 3.34 0.39 -5.38 1.10 0.20 -0.64 121.20 120.14 1ava s ILE 98 Ca -0.03 0.97 -0.27 0.00 -0.51 0.00 0.00 60.65 60.81 1ava s ILE 98 Cb -0.04 -3.62 -0.09 0.00 0.15 0.00 0.00 42.46 38.86 1ava s ILE 98 CO 0.03 0.08 1.33 -0.62 -2.11 0.00 0.00 174.94 173.65 1ava s ASP 99 N 1.03 6.36 0.14 4.50 -1.08 -0.01 -4.87 116.67 122.74 1ava s ASP 99 Ca 0.64 2.72 0.25 0.00 -0.52 0.00 0.00 52.55 55.64 1ava s ASP 99 Cb -0.36 -2.64 0.53 0.00 -1.46 0.00 0.00 42.92 38.98 1ava s ASP 99 CO 0.31 -0.82 1.49 -1.54 0.52 0.00 0.00 175.17 175.13 1ava n SER 100 N 0.26 0.70 -4.61 -0.34 3.41 -1.26 -4.78 113.62 107.00 1ava n SER 100 Ca 0.03 0.26 -0.23 0.00 -0.26 0.00 0.00 58.87 58.67 1ava n SER 100 Cb 0.43 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1ava n SER 100 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ava s GLU 101 N -3.13 2.18 -0.04 4.33 2.02 -1.26 -5.12 118.70 117.67 1ava s GLU 101 Ca 0.08 -1.48 -0.10 0.00 0.02 0.00 0.00 54.97 53.49 1ava s GLU 101 Cb 0.13 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 1ava s GLU 101 CO 0.67 0.36 0.28 -0.51 0.02 0.00 0.00 175.26 176.08 1ava s LEU 102 N -3.62 4.42 -0.15 1.80 1.02 -1.26 -4.56 118.68 116.33 1ava s LEU 102 Ca 0.31 0.70 0.00 0.00 0.02 0.00 0.00 54.13 55.16 1ava s LEU 102 Cb -0.06 -2.41 0.02 0.00 0.02 0.00 0.00 46.19 43.77 1ava s LEU 102 CO 0.19 0.34 -0.15 0.00 0.02 0.00 0.00 176.35 176.75 1ava s ALA 103 N -1.11 1.93 -1.75 4.21 0.00 0.04 -4.60 121.76 120.49 1ava s ALA 103 Ca 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1ava s ALA 103 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1ava s ALA 103 CO 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1ava n ALA 104 N 4.75 -0.61 -1.00 0.00 0.00 -1.26 -1.25 120.51 121.13 1ava n ALA 104 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ava n ALA 104 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1ava n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ava n GLY 105 N -0.94 0.46 3.45 0.00 0.00 -1.26 -5.03 105.19 101.86 1ava n GLY 105 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1ava n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ava s ARG 106 N -0.18 1.60 -0.30 1.61 0.52 -0.38 -5.01 118.95 116.81 1ava s ARG 106 Ca 0.00 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 53.75 1ava s ARG 106 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1ava s ARG 106 CO 0.00 0.43 0.10 0.50 0.02 0.00 0.00 175.30 176.35 1ava s ARG 107 N -2.44 3.21 0.36 3.54 3.52 -1.26 -0.78 118.95 125.09 1ava s ARG 107 Ca 0.19 -0.79 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1ava s ARG 107 Cb -0.09 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1ava s ARG 107 CO 0.10 -0.41 0.39 -1.01 -0.81 0.00 0.00 175.30 173.55 1ava s HIS 108 N 1.54 2.92 -0.25 5.12 3.76 -1.26 -1.32 115.29 125.80 1ava s HIS 108 Ca 0.03 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.47 1ava s HIS 108 Cb -0.17 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1ava s HIS 108 CO 0.03 0.01 0.37 0.08 -0.85 0.00 0.00 174.74 174.39 1ava s VAL 109 N -2.30 5.19 0.07 -0.90 1.01 -0.79 -0.83 120.40 121.84 1ava s VAL 109 Ca 0.45 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1ava s VAL 109 Cb -0.07 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1ava s VAL 109 CO 0.29 0.19 0.02 2.30 0.00 0.00 0.00 175.10 177.89 1ava n ILE 110 N 4.88 0.00 -4.43 2.22 -5.35 0.19 -2.12 119.36 114.74 1ava n ILE 110 Ca -0.09 -0.32 -0.23 0.00 -0.27 0.00 0.00 62.75 61.85 1ava n ILE 110 Cb 0.51 -0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.22 1ava n ILE 110 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ava s THR 111 N -0.95 0.41 0.00 7.28 -1.32 -0.87 -1.09 115.64 119.10 1ava s THR 111 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 1ava s THR 111 Cb -0.00 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 1ava s THR 111 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1ava n GLY 112 N -0.79 -2.19 3.71 6.08 0.00 0.70 -4.60 105.19 108.10 1ava n GLY 112 Ca -0.02 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 1ava n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ava s PRO 113 N -0.23 1.89 -0.38 1.61 0.02 -1.26 -4.77 135.00 131.88 1ava s PRO 113 Ca 0.00 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 62.63 1ava s PRO 113 Cb 0.00 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.73 1ava s PRO 113 CO 0.00 -2.04 0.72 0.08 -0.33 0.00 0.00 177.00 175.43 1ava s VAL 114 N -1.95 4.78 0.09 3.83 1.01 -1.26 -4.96 120.40 121.95 1ava s VAL 114 Ca 0.75 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1ava s VAL 114 Cb -0.31 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 31.76 1ava s VAL 114 CO 0.48 -0.45 1.64 0.50 0.00 0.00 0.00 175.10 177.27 1ava h LYS 115 N 8.59 -0.58 -3.83 2.72 3.64 -1.98 -3.37 116.57 121.76 1ava h LYS 115 Ca -0.25 0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.53 1ava h LYS 115 Cb 1.10 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 32.64 1ava h LYS 115 CO 0.89 -0.38 -0.68 -0.51 -2.27 0.00 0.00 179.45 176.49 1ava s ASP 116 N -4.69 4.39 0.19 4.20 1.01 -1.26 -5.10 116.67 115.41 1ava s ASP 116 Ca -0.16 -2.56 -0.31 0.00 0.71 0.00 0.00 52.55 50.22 1ava s ASP 116 Cb 0.06 -1.52 -0.10 0.00 1.01 0.00 0.00 42.92 42.37 1ava s ASP 116 CO 0.64 -0.30 1.55 -2.84 0.21 0.00 0.00 175.17 174.43 1ava s PRO 117 N 0.35 4.22 0.65 8.23 0.02 -1.26 -4.96 135.00 142.24 1ava s PRO 117 Ca 0.14 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 1ava s PRO 117 Cb -0.23 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 1ava s PRO 117 CO -0.05 -0.58 1.04 -1.54 -0.33 0.00 0.00 177.00 175.55 1ava s SER 118 N 0.96 5.85 0.08 2.53 1.04 -1.26 -4.98 113.70 117.92 1ava s SER 118 Ca 0.68 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 58.10 1ava s SER 118 Cb -0.44 -2.17 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 1ava s SER 118 CO 0.34 -1.08 1.70 -0.65 0.98 0.00 0.00 173.24 174.54 1ava h PRO 119 N -0.43 0.01 0.00 4.02 0.11 -2.05 -2.58 132.00 131.08 1ava h PRO 119 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1ava h PRO 119 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ava h PRO 119 CO 0.63 0.05 -0.09 0.66 -0.21 0.00 0.00 178.00 179.04 1ava h SER 120 N -0.03 0.00 -0.73 -2.05 4.64 -2.00 -3.46 113.55 109.91 1ava h SER 120 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1ava h SER 120 Cb 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 1ava h SER 120 CO -0.00 0.09 -0.22 0.61 -0.87 0.00 0.00 176.83 176.44 1ava n GLY 121 N -1.14 1.01 1.80 -0.77 0.00 -0.97 -4.93 105.19 100.18 1ava n GLY 121 Ca -0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1ava n GLY 121 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ava n ARG 122 N -2.57 2.44 0.00 1.61 1.85 -1.26 -4.47 116.66 114.26 1ava n ARG 122 Ca -0.12 -3.07 0.07 0.00 -1.00 0.00 0.00 57.85 53.73 1ava n ARG 122 Cb 0.41 -2.06 0.29 0.00 -1.05 0.00 0.00 32.46 30.06 1ava n ARG 122 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1ava n GLU 123 N -0.93 0.00 -0.22 2.89 0.00 -1.26 -1.39 120.64 119.74 1ava n GLU 123 Ca 0.46 0.27 0.07 0.00 0.00 0.00 0.00 57.16 57.97 1ava n GLU 123 Cb 1.39 -1.51 0.20 0.00 0.00 0.00 0.00 31.44 31.52 1ava n GLU 123 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ava n ASN 124 N -1.51 3.18 -4.63 -1.84 6.94 -1.26 -0.63 115.26 115.51 1ava n ASN 124 Ca 0.03 -1.98 -0.40 0.00 -0.02 0.00 0.00 54.58 52.21 1ava n ASN 124 Cb 0.16 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 1ava n ASN 124 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ava s ALA 125 N -1.01 3.58 0.35 -2.53 0.00 -0.48 -4.47 121.76 117.20 1ava s ALA 125 Ca 0.30 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1ava s ALA 125 Cb 0.16 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1ava s ALA 125 CO 0.21 -0.68 -0.00 -0.06 0.00 0.00 0.00 175.76 175.23 1ava s PHE 126 N 2.17 2.22 -0.06 0.00 0.08 -0.51 -0.49 117.98 121.40 1ava s PHE 126 Ca 0.22 -0.74 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 1ava s PHE 126 Cb -0.16 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1ava s PHE 126 CO 0.09 0.30 0.16 1.03 -0.10 0.00 0.00 175.22 176.70 1ava s ARG 127 N -3.75 0.16 -0.13 0.44 0.52 -0.18 -0.97 118.95 115.03 1ava s ARG 127 Ca 0.34 0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.71 1ava s ARG 127 Cb 0.07 0.00 -0.05 0.00 0.52 0.00 0.00 34.95 35.50 1ava s ARG 127 CO 0.16 -0.07 0.24 0.42 0.02 0.00 0.00 175.30 176.07 1ava s ILE 128 N 0.46 5.34 0.14 1.52 1.01 -1.26 -0.51 121.20 127.89 1ava s ILE 128 Ca -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 1ava s ILE 128 Cb -0.04 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1ava s ILE 128 CO -0.02 0.49 0.10 -1.61 0.00 0.00 0.00 174.94 173.90 1ava s GLU 129 N -0.16 0.98 0.25 2.79 0.41 -0.90 -0.71 118.70 121.35 1ava s GLU 129 Ca 0.16 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.02 1ava s GLU 129 Cb -0.13 0.27 -0.09 0.00 -1.78 0.00 0.00 34.13 32.40 1ava s GLU 129 CO 0.04 -0.30 1.10 0.15 -0.49 0.00 0.00 175.26 175.77 1ava s LYS 130 N -4.04 4.62 0.13 1.61 -0.14 -1.26 -1.40 119.74 119.26 1ava s LYS 130 Ca 0.23 1.78 -0.15 0.00 -1.36 0.00 0.00 55.97 56.48 1ava s LYS 130 Cb 0.07 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.98 1ava s LYS 130 CO 0.02 0.16 1.57 -0.92 -0.76 0.00 0.00 175.35 175.42 1ava h TYR 131 N 4.25 0.78 -4.16 3.18 3.20 -1.64 -3.43 116.97 119.14 1ava h TYR 131 Ca -0.46 -0.14 -0.36 0.00 3.14 0.00 0.00 58.73 60.91 1ava h TYR 131 Cb 1.21 -0.20 -0.09 0.00 1.54 0.00 0.00 36.73 39.19 1ava h TYR 131 CO 0.60 0.79 -0.34 -1.13 -1.64 0.00 0.00 178.16 176.44 1ava n SER 132 N -4.44 0.03 0.00 -2.11 3.41 -1.26 -5.00 113.62 104.24 1ava n SER 132 Ca -0.01 -2.58 0.10 0.00 -0.26 0.00 0.00 58.87 56.12 1ava n SER 132 Cb 0.29 1.06 0.49 0.00 -0.26 0.00 0.00 64.21 65.79 1ava n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ava n GLY 133 N -0.30 -1.08 3.75 5.00 0.00 -1.26 -4.86 105.19 106.45 1ava n GLY 133 Ca 0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1ava n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ava s ALA 134 N -2.75 2.54 -1.45 4.61 0.00 -1.26 -4.93 121.76 118.52 1ava s ALA 134 Ca 0.16 0.99 0.15 0.00 0.00 0.00 0.00 51.96 53.25 1ava s ALA 134 Cb 0.14 -3.45 0.75 0.00 0.00 0.00 0.00 23.12 20.56 1ava s ALA 134 CO 0.34 -1.16 1.40 -0.85 0.00 0.00 0.00 175.76 175.49 1ava n GLU 135 N -1.62 0.22 -2.04 0.00 -0.00 -1.26 -4.85 120.64 111.09 1ava n GLU 135 Ca 0.13 0.14 -0.34 0.00 -0.00 0.00 0.00 57.16 57.10 1ava n GLU 135 Cb 0.50 -1.50 0.02 0.00 -0.00 0.00 0.00 31.44 30.46 1ava n GLU 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ava s VAL 136 N -2.55 3.22 -1.28 3.84 0.11 -1.26 -4.95 120.40 117.53 1ava s VAL 136 Ca 0.14 0.67 -0.09 0.00 -2.93 0.00 0.00 61.98 59.77 1ava s VAL 136 Cb 0.10 -3.21 0.16 0.00 -1.53 0.00 0.00 36.38 31.90 1ava s VAL 136 CO 0.22 -0.25 1.89 1.41 -3.33 0.00 0.00 175.10 175.04 1ava n HIS 137 N -1.80 2.91 -4.59 1.54 8.25 -1.26 -4.89 115.22 115.38 1ava n HIS 137 Ca 0.11 -2.79 -0.24 0.00 -0.26 0.00 0.00 57.72 54.54 1ava n HIS 137 Cb 0.51 -1.95 -0.16 0.00 1.12 0.00 0.00 29.99 29.51 1ava n HIS 137 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ava s GLU 138 N 0.37 1.57 0.44 -0.41 2.02 -1.26 -4.87 118.70 116.56 1ava s GLU 138 Ca 0.40 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.97 1ava s GLU 138 Cb 0.10 -1.34 -0.00 0.00 0.10 0.00 0.00 34.13 32.99 1ava s GLU 138 CO 0.00 0.08 0.04 0.66 0.02 0.00 0.00 175.26 176.07 1ava n TYR 139 N 3.60 0.78 -3.98 1.61 4.01 -0.47 -1.98 117.16 120.73 1ava n TYR 139 Ca -0.21 -2.35 -0.08 0.00 -0.16 0.00 0.00 57.90 55.10 1ava n TYR 139 Cb 0.52 -0.21 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1ava n TYR 139 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ava s LYS 140 N -3.61 0.71 -0.01 -0.72 -2.85 -0.49 -0.12 119.74 112.65 1ava s LYS 140 Ca 0.06 -1.09 0.03 0.00 -1.00 0.00 0.00 55.97 53.97 1ava s LYS 140 Cb 0.00 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1ava s LYS 140 CO 0.04 -0.18 -0.09 -0.51 0.10 0.00 0.00 175.35 174.71 1ava s LEU 141 N -2.87 3.05 0.08 2.77 1.43 -1.26 -2.12 118.68 119.76 1ava s LEU 141 Ca 0.06 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1ava s LEU 141 Cb 0.06 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1ava s LEU 141 CO -0.10 0.31 -0.19 -0.04 0.23 0.00 0.00 176.35 176.55 1ava s MET 142 N -1.20 1.10 -0.24 1.70 -1.94 0.34 -1.84 119.30 117.21 1ava s MET 142 Ca 0.15 -1.06 -0.09 0.00 -1.71 0.00 0.00 55.69 52.98 1ava s MET 142 Cb -0.11 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.41 1ava s MET 142 CO 0.05 0.30 0.12 0.45 -0.01 0.00 0.00 175.02 175.93 1ava s SER 143 N -1.71 5.66 -0.69 3.03 0.15 -0.14 -1.01 113.70 118.98 1ava s SER 143 Ca 0.05 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.71 1ava s SER 143 Cb -0.10 -2.02 0.26 0.00 -1.71 0.00 0.00 66.02 62.45 1ava s SER 143 CO 0.03 0.02 0.84 0.00 1.20 0.00 0.00 173.24 175.33 1ava n GLY 145 N 0.89 1.89 0.21 0.00 0.00 -1.26 -4.69 105.19 102.25 1ava n GLY 145 Ca 0.30 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.43 1ava n GLY 145 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ava h ASP 146 N 0.00 0.00 -4.92 1.61 3.32 -1.92 -3.46 116.42 111.04 1ava h ASP 146 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ava h ASP 146 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1ava h ASP 146 CO 0.00 0.09 0.25 -1.66 -1.72 0.00 0.00 179.24 176.20 1ava s TRP 147 N -3.25 -0.54 0.05 4.55 -2.14 -1.26 -5.16 118.94 111.19 1ava s TRP 147 Ca 0.05 0.52 -0.22 0.00 2.66 0.00 0.00 56.10 59.12 1ava s TRP 147 Cb 0.06 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.89 1ava s TRP 147 CO 0.66 -0.74 0.64 0.00 -2.66 0.00 0.00 176.95 174.86 1ava s GLN 149 N -0.58 0.12 0.58 0.00 -2.07 -0.42 -4.95 119.66 112.34 1ava s GLN 149 Ca 0.32 0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.85 1ava s GLN 149 Cb -0.20 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.71 1ava s GLN 149 CO 0.20 -0.03 1.20 -0.51 -1.32 0.00 0.00 175.29 174.83 1ava s ASP 150 N 0.19 5.26 -0.05 12.60 1.01 -1.26 -0.97 116.67 133.46 1ava s ASP 150 Ca -0.01 2.38 0.04 0.00 0.71 0.00 0.00 52.55 55.66 1ava s ASP 150 Cb -0.02 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1ava s ASP 150 CO -0.01 -1.54 -0.15 -0.76 0.21 0.00 0.00 175.17 172.93 1ava s LEU 151 N -4.01 2.71 0.00 1.23 1.43 -0.77 -4.15 118.68 115.13 1ava s LEU 151 Ca 0.77 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1ava s LEU 151 Cb -0.30 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1ava s LEU 151 CO 0.33 0.34 0.11 0.61 0.23 0.00 0.00 176.35 177.97 1ava n GLY 152 N 2.34 3.52 3.26 -3.19 0.00 0.30 -1.97 105.19 109.45 1ava n GLY 152 Ca -0.17 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1ava n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ava s VAL 153 N -2.56 2.08 -0.55 1.61 1.01 -1.25 -0.66 120.40 120.07 1ava s VAL 153 Ca 0.16 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1ava s VAL 153 Cb 0.01 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1ava s VAL 153 CO 0.11 0.57 1.00 -0.36 0.00 0.00 0.00 175.10 176.42 1ava s PHE 154 N -0.00 2.76 -0.74 5.22 0.08 -0.11 -4.69 117.98 120.49 1ava s PHE 154 Ca -0.08 0.13 0.14 0.00 0.12 0.00 0.00 56.93 57.23 1ava s PHE 154 Cb -0.15 -4.18 0.67 0.00 -0.57 0.00 0.00 43.02 38.79 1ava s PHE 154 CO 0.05 -1.39 1.54 0.54 -0.10 0.00 0.00 175.22 175.86 1ava n ARG 155 N 7.68 3.89 -0.19 0.44 1.74 -1.26 -3.00 116.66 125.96 1ava n ARG 155 Ca 0.04 -2.58 0.09 0.00 -0.77 0.00 0.00 57.85 54.63 1ava n ARG 155 Cb 0.48 -2.00 0.26 0.00 -1.02 0.00 0.00 32.46 30.18 1ava n ARG 155 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ava n ASP 156 N 0.72 2.55 -0.45 0.55 5.68 -1.26 -4.93 116.55 119.41 1ava n ASP 156 Ca 0.23 -1.92 -0.06 0.00 -0.50 0.00 0.00 54.79 52.54 1ava n ASP 156 Cb 0.94 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 40.64 1ava n ASP 156 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ava n LEU 157 N 0.89 0.08 -4.75 -2.12 4.77 -1.26 -4.94 117.00 109.67 1ava n LEU 157 Ca 0.17 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 1ava n LEU 157 Cb 0.43 -2.17 -0.03 0.00 -2.33 0.00 0.00 43.42 39.33 1ava n LEU 157 CO 0.13 -0.81 0.98 -0.54 -1.33 0.00 0.00 177.39 175.82 1ava s LYS 158 N -2.21 4.38 0.00 3.23 1.02 -1.26 -1.88 119.74 123.02 1ava s LYS 158 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.11 1ava s LYS 158 Cb 0.00 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1ava s LYS 158 CO 0.00 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1ava n GLY 159 N 1.77 1.54 0.00 -3.33 0.00 -1.26 -4.13 105.19 99.78 1ava n GLY 159 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ava n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ava n GLY 160 N -2.00 1.49 1.39 -0.02 0.00 -0.79 -0.68 105.19 104.58 1ava n GLY 160 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1ava n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ava n ALA 161 N -0.10 -0.70 -2.66 4.61 0.00 -1.25 -4.99 120.51 115.41 1ava n ALA 161 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 1ava n ALA 161 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1ava n ALA 161 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ava s TRP 162 N -6.23 3.38 0.07 0.00 0.52 -1.26 -4.09 118.94 111.32 1ava s TRP 162 Ca 0.06 0.96 0.10 0.00 0.02 0.00 0.00 56.10 57.24 1ava s TRP 162 Cb -0.02 -2.83 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 1ava s TRP 162 CO 0.04 -0.19 -0.26 -0.06 0.02 0.00 0.00 176.95 176.50 1ava s PHE 163 N 1.96 2.33 0.32 -1.98 0.08 -1.16 -1.68 117.98 117.85 1ava s PHE 163 Ca 0.30 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.69 1ava s PHE 163 Cb -0.16 -1.36 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 1ava s PHE 163 CO 0.10 0.19 0.95 -1.17 -0.10 0.00 0.00 175.22 175.19 1ava s LEU 164 N -1.47 4.37 0.00 -0.37 2.96 -0.26 -0.94 118.68 122.98 1ava s LEU 164 Ca 0.13 1.86 -0.13 0.00 -0.22 0.00 0.00 54.13 55.77 1ava s LEU 164 Cb -0.10 -3.97 0.04 0.00 0.50 0.00 0.00 46.19 42.66 1ava s LEU 164 CO 0.03 -0.06 0.58 0.61 -1.32 0.00 0.00 176.35 176.20 1ava n GLY 165 N 0.67 0.40 3.54 7.98 0.00 0.16 -1.89 105.19 116.06 1ava n GLY 165 Ca 0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1ava n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ava s ALA 166 N -1.45 2.79 0.06 4.61 0.00 -0.43 -0.54 121.76 126.80 1ava s ALA 166 Ca 0.14 -2.04 -0.27 0.00 0.00 0.00 0.00 51.96 49.79 1ava s ALA 166 Cb -0.00 -4.39 0.09 0.00 0.00 0.00 0.00 23.12 18.82 1ava s ALA 166 CO -0.01 -3.44 0.78 -0.08 0.00 0.00 0.00 175.76 173.02 1ava s THR 167 N 4.96 0.00 0.24 0.00 -1.32 -1.26 -4.75 115.64 113.51 1ava s THR 167 Ca 0.41 -0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.80 1ava s THR 167 Cb -0.03 -1.01 -0.06 0.00 -1.51 0.00 0.00 72.50 69.88 1ava s THR 167 CO -0.02 0.00 0.54 -1.61 -2.21 0.00 0.00 174.62 171.32 1ava s GLU 168 N -3.36 3.74 0.17 7.08 0.41 -1.26 -2.77 118.70 122.71 1ava s GLU 168 Ca 0.04 0.17 -0.27 0.00 -0.41 0.00 0.00 54.97 54.50 1ava s GLU 168 Cb -0.01 -2.66 -0.08 0.00 -1.78 0.00 0.00 34.13 29.60 1ava s GLU 168 CO -0.10 0.29 0.82 -2.14 -0.49 0.00 0.00 175.26 173.64 1ava s PRO 169 N -3.03 4.64 0.31 0.39 0.02 -1.26 -4.84 135.00 131.23 1ava s PRO 169 Ca 0.46 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 1ava s PRO 169 Cb -0.11 -3.28 -0.11 0.00 0.02 0.00 0.00 34.50 31.02 1ava s PRO 169 CO 0.24 0.53 1.49 0.71 -0.33 0.00 0.00 177.00 179.64 1ava s TYR 170 N -1.05 2.81 -0.13 6.54 2.02 -1.25 -3.95 117.35 122.33 1ava s TYR 170 Ca 0.38 1.03 -0.29 0.00 -0.37 0.00 0.00 57.07 57.81 1ava s TYR 170 Cb -0.24 -3.95 -0.02 0.00 -0.40 0.00 0.00 41.96 37.36 1ava s TYR 170 CO 0.28 -2.97 1.30 -1.58 -1.57 0.00 0.00 175.55 171.01 1ava s HIS 171 N -0.47 2.79 -0.34 2.71 2.46 -0.83 -4.93 115.29 116.68 1ava s HIS 171 Ca 0.57 0.93 -0.17 0.00 0.47 0.00 0.00 55.06 56.87 1ava s HIS 171 Cb -0.45 -3.55 -0.01 0.00 -0.13 0.00 0.00 32.58 28.45 1ava s HIS 171 CO 0.52 -1.93 0.45 0.08 -2.47 0.00 0.00 174.74 171.39 1ava s VAL 172 N 3.37 5.08 0.38 0.89 1.01 -1.26 -4.42 120.40 125.46 1ava s VAL 172 Ca 0.57 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.87 1ava s VAL 172 Cb -0.24 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1ava s VAL 172 CO 0.17 -0.15 0.19 0.54 0.00 0.00 0.00 175.10 175.86 1ava s VAL 173 N 2.23 2.64 -0.02 2.92 0.11 0.83 -1.67 120.40 127.44 1ava s VAL 173 Ca 0.16 -1.65 -0.05 0.00 -2.93 0.00 0.00 61.98 57.51 1ava s VAL 173 Cb -0.16 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 1ava s VAL 173 CO 0.12 -0.08 0.10 0.54 -3.33 0.00 0.00 175.10 172.46 1ava s VAL 174 N -2.51 0.04 -0.22 2.04 0.11 0.14 -1.37 120.40 118.63 1ava s VAL 174 Ca 0.41 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1ava s VAL 174 Cb 0.00 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1ava s VAL 174 CO 0.23 -0.20 0.03 -0.36 -3.33 0.00 0.00 175.10 171.47 1ava s PHE 175 N -0.66 3.07 -0.11 1.54 0.08 -1.26 -0.33 117.98 120.31 1ava s PHE 175 Ca -0.07 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.56 1ava s PHE 175 Cb -0.04 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1ava s PHE 175 CO 0.00 -0.26 -0.15 0.21 -0.10 0.00 0.00 175.22 174.93 1ava s LYS 176 N 1.17 3.20 0.21 0.44 2.20 -0.20 -0.12 119.74 126.64 1ava s LYS 176 Ca 0.03 -0.72 -0.32 0.00 -0.36 0.00 0.00 55.97 54.61 1ava s LYS 176 Cb -0.14 -2.54 -0.14 0.00 -1.51 0.00 0.00 37.83 33.49 1ava s LYS 176 CO 0.02 0.28 1.26 1.63 -0.36 0.00 0.00 175.35 178.18 1ava n LYS 177 N 3.33 1.59 -4.44 4.03 5.02 -1.26 -0.40 118.16 126.03 1ava n LYS 177 Ca -0.18 0.57 -0.22 0.00 -2.02 0.00 0.00 58.31 56.46 1ava n LYS 177 Cb 0.53 -2.13 -0.10 0.00 -0.02 0.00 0.00 35.03 33.31 1ava n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ava s ALA 178 N -0.21 2.46 0.67 7.82 0.00 -0.24 -4.73 121.76 127.52 1ava s ALA 178 Ca 0.69 -1.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1ava s ALA 178 Cb -0.74 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1ava s ALA 178 CO 0.52 0.07 1.15 -2.14 0.00 0.00 0.00 175.76 175.36 1ava s PRO 179 N -3.64 2.60 -1.17 0.00 0.02 -1.26 -4.42 135.00 127.14 1ava s PRO 179 Ca 0.28 1.57 -0.22 0.00 0.02 0.00 0.00 61.00 62.66 1ava s PRO 179 Cb 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1ava s PRO 179 CO 0.12 -1.44 1.85 -1.25 -0.33 0.00 0.00 177.00 175.96 1ava s PRO 180 N -3.91 2.96 0.00 5.54 0.04 -1.26 -4.68 135.00 133.69 1ava s PRO 180 Ca 0.71 -1.27 0.27 0.00 0.04 0.00 0.00 61.00 60.75 1ava s PRO 180 Cb -0.25 -5.31 0.84 0.00 0.04 0.00 0.00 34.50 29.83 1ava s PRO 180 CO 0.41 -3.34 1.63 0.00 0.04 0.00 0.00 177.00 175.74