#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl6 s PRO 12 N 0.00 3.96 -0.21 1.64 0.02 -1.26 -5.02 135.00 134.13 1xl6 s PRO 12 Ca 0.00 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 61.88 1xl6 s PRO 12 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1xl6 s PRO 12 CO 0.00 -0.27 1.10 1.03 -0.33 0.00 0.00 177.00 178.53 1xl6 s ARG 13 N -3.51 4.26 0.02 5.54 1.81 -1.26 -4.91 118.95 120.89 1xl6 s ARG 13 Ca 0.63 1.44 -0.21 0.00 -1.72 0.00 0.00 55.73 55.87 1xl6 s ARG 13 Cb -0.12 -3.67 -0.17 0.00 -0.45 0.00 0.00 34.95 30.55 1xl6 s ARG 13 CO 0.22 -0.64 1.28 0.82 -0.68 0.00 0.00 175.30 176.30 1xl6 h ILE 14 N 5.45 1.38 -3.48 1.52 2.04 -1.96 -3.43 117.51 119.03 1xl6 h ILE 14 Ca -0.21 -1.41 -0.66 0.00 1.00 0.00 0.00 64.86 63.57 1xl6 h ILE 14 Cb 1.07 2.06 -0.26 0.00 -0.74 0.00 0.00 36.82 38.96 1xl6 h ILE 14 CO 0.97 0.41 -0.76 -0.76 0.00 0.00 0.00 178.15 178.01 1xl6 s LEU 15 N -9.00 2.76 1.23 1.44 1.43 -1.26 -1.52 118.68 113.76 1xl6 s LEU 15 Ca -0.14 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1xl6 s LEU 15 Cb 0.04 -1.61 0.30 0.00 0.03 0.00 0.00 46.19 44.95 1xl6 s LEU 15 CO 0.75 0.21 1.10 0.20 0.23 0.00 0.00 176.35 178.84 1xl6 s ASN 16 N 0.08 0.71 0.38 2.29 0.01 -0.30 -4.90 114.94 113.21 1xl6 s ASN 16 Ca -0.05 0.59 0.16 0.00 -0.71 0.00 0.00 52.86 52.85 1xl6 s ASN 16 Cb -0.15 -0.80 0.77 0.00 0.41 0.00 0.00 41.25 41.48 1xl6 s ASN 16 CO 0.04 -4.25 1.81 0.28 -1.51 0.00 0.00 177.10 173.48 1xl6 h SER 17 N -2.67 0.00 -0.13 -1.22 0.02 -1.89 -2.77 113.55 104.89 1xl6 h SER 17 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1xl6 h SER 17 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1xl6 h SER 17 CO 0.32 0.37 0.00 -0.90 -1.14 0.00 0.00 176.83 175.48 1xl6 n ASP 18 N -3.86 0.76 -0.03 3.07 5.75 -1.26 0.56 116.55 121.53 1xl6 n ASP 18 Ca -0.01 -1.91 -0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1xl6 n ASP 18 Cb 0.43 -0.09 -0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1xl6 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xl6 n GLY 19 N 0.77 0.44 3.81 6.12 0.00 -1.04 -4.25 105.19 111.03 1xl6 n GLY 19 Ca 0.07 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1xl6 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xl6 s SER 20 N -2.74 6.78 0.18 1.61 1.04 -1.26 -4.86 113.70 114.45 1xl6 s SER 20 Ca 0.00 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 1xl6 s SER 20 Cb 0.00 -2.26 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 1xl6 s SER 20 CO 0.00 0.25 1.34 -0.55 0.98 0.00 0.00 173.24 175.26 1xl6 s SER 21 N -0.69 6.86 -0.08 7.02 0.15 -1.26 -1.16 113.70 124.53 1xl6 s SER 21 Ca 0.24 2.39 0.19 0.00 0.70 0.00 0.00 55.95 59.47 1xl6 s SER 21 Cb -0.16 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.22 1xl6 s SER 21 CO 0.13 -0.58 1.58 -3.20 1.20 0.00 0.00 173.24 172.37 1xl6 n ASN 22 N 3.02 4.42 -4.73 5.45 5.15 -0.58 -4.91 115.26 123.09 1xl6 n ASN 22 Ca 0.08 -2.33 -0.41 0.00 -0.60 0.00 0.00 54.58 51.32 1xl6 n ASN 22 Cb 0.42 -0.55 -0.04 0.00 -0.53 0.00 0.00 39.78 39.08 1xl6 n ASN 22 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xl6 s ILE 23 N -1.66 4.54 0.36 -1.44 -1.09 -1.26 -5.04 121.20 115.61 1xl6 s ILE 23 Ca 0.49 2.03 -0.25 0.00 -2.23 0.00 0.00 60.65 60.69 1xl6 s ILE 23 Cb 0.30 -4.31 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1xl6 s ILE 23 CO 0.26 0.31 0.98 -0.89 -1.23 0.00 0.00 174.94 174.38 1xl6 s THR 24 N 0.04 4.04 0.09 2.92 2.01 -1.26 -5.06 115.64 118.42 1xl6 s THR 24 Ca 0.46 1.62 0.04 0.00 0.31 0.00 0.00 61.69 64.13 1xl6 s THR 24 Cb -0.23 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1xl6 s THR 24 CO 0.29 0.06 0.03 -0.13 -0.69 0.00 0.00 174.62 174.18 1xl6 s ARG 25 N -2.28 2.65 -0.29 4.92 0.52 -1.26 -5.09 118.95 118.12 1xl6 s ARG 25 Ca 0.54 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.83 1xl6 s ARG 25 Cb -0.19 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1xl6 s ARG 25 CO 0.25 0.54 0.22 -0.51 0.02 0.00 0.00 175.30 175.82 1xl6 s LEU 26 N -2.37 4.11 0.11 2.53 1.43 -1.26 -5.03 118.68 118.19 1xl6 s LEU 26 Ca 0.27 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1xl6 s LEU 26 Cb -0.12 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1xl6 s LEU 26 CO 0.20 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1xl6 n GLY 27 N 5.03 -0.60 3.75 -3.19 0.00 -1.26 -4.86 105.19 104.07 1xl6 n GLY 27 Ca -0.13 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1xl6 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xl6 s LEU 28 N -3.75 3.74 0.00 0.99 1.43 -1.26 -4.97 118.68 114.86 1xl6 s LEU 28 Ca 0.00 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1xl6 s LEU 28 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1xl6 s LEU 28 CO 0.00 -1.53 0.00 -0.62 0.23 0.00 0.00 176.35 174.43 1xl6 n GLU 29 N -1.36 0.00 0.00 1.70 1.02 -1.26 -5.20 120.64 115.55 1xl6 n GLU 29 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1xl6 n GLU 29 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1xl6 n GLU 29 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xl6 n LYS 30 N 0.00 0.00 0.00 3.49 3.00 -1.26 -5.17 118.16 118.22 1xl6 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xl6 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xl6 n LYS 30 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1xl6 n ARG 31 N 0.04 0.00 -4.30 1.64 1.85 -1.26 -5.20 116.66 109.43 1xl6 n ARG 31 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1xl6 n ARG 31 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1xl6 n ARG 31 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xl6 s GLY 32 N 0.00 2.67 -0.26 2.89 0.00 -1.26 -5.04 107.32 106.32 1xl6 s GLY 32 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 44.72 43.65 1xl6 s GLY 32 CO 0.00 -2.06 -0.20 -2.67 0.00 0.00 0.00 173.10 168.18 1xl6 n TRP 33 N -1.51 0.29 0.07 1.90 -0.00 -1.26 -1.22 117.44 115.71 1xl6 n TRP 33 Ca -0.10 0.13 0.01 0.00 -0.00 0.00 0.00 57.50 57.54 1xl6 n TRP 33 Cb 0.66 -1.03 0.03 0.00 -0.00 0.00 0.00 31.31 30.97 1xl6 n TRP 33 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1xl6 n LEU 34 N -4.30 0.00 -0.09 5.67 7.94 -1.26 0.28 117.00 125.23 1xl6 n LEU 34 Ca -0.48 0.09 -0.19 0.00 -1.11 0.00 0.00 56.01 54.32 1xl6 n LEU 34 Cb 0.83 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 44.62 1xl6 n LEU 34 CO 0.08 -0.09 -1.07 -0.67 -1.11 0.00 0.00 177.39 174.53 1xl6 n ASP 35 N -1.09 1.51 0.17 1.96 -0.08 -1.26 -4.16 116.55 113.60 1xl6 n ASP 35 Ca 0.01 0.26 -0.07 0.00 -1.51 0.00 0.00 54.79 53.48 1xl6 n ASP 35 Cb 0.01 -0.62 -0.03 0.00 2.34 0.00 0.00 41.12 42.82 1xl6 n ASP 35 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1xl6 h ASP 36 N -0.74 -0.39 0.00 1.67 5.19 0.13 -1.93 116.42 120.35 1xl6 h ASP 36 Ca -0.42 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1xl6 h ASP 36 Cb 1.31 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1xl6 h ASP 36 CO -0.25 -0.27 0.00 1.57 -3.12 0.00 0.00 179.24 177.17 1xl6 n HIS 37 N -3.21 0.00 0.00 4.55 -0.00 0.79 -2.94 115.22 114.41 1xl6 n HIS 37 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1xl6 n HIS 37 Cb 0.17 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1xl6 n HIS 37 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1xl6 n TYR 38 N 0.20 0.00 -0.04 1.57 4.02 -0.78 -4.75 117.16 117.38 1xl6 n TYR 38 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1xl6 n TYR 38 Cb 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1xl6 n TYR 38 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1xl6 n HIS 39 N -0.57 0.11 -0.53 -0.72 8.25 -0.85 -2.68 115.22 118.23 1xl6 n HIS 39 Ca 0.00 0.05 0.44 0.00 -0.26 0.00 0.00 57.72 57.95 1xl6 n HIS 39 Cb 0.00 -0.30 0.77 0.00 1.12 0.00 0.00 29.99 31.58 1xl6 n HIS 39 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1xl6 h ASP 40 N -0.46 0.05 0.24 0.41 -0.00 -1.84 0.32 116.42 115.13 1xl6 h ASP 40 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.04 1xl6 h ASP 40 Cb 0.41 0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.75 1xl6 h ASP 40 CO 0.00 -0.02 -1.77 0.18 -0.00 0.00 0.00 179.24 177.63 1xl6 n LEU 41 N -4.15 0.21 -0.02 0.15 4.77 -1.26 -4.40 117.00 112.30 1xl6 n LEU 41 Ca 0.36 0.08 0.01 0.00 -0.03 0.00 0.00 56.01 56.44 1xl6 n LEU 41 Cb 1.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.75 1xl6 n LEU 41 CO 0.39 -0.03 0.47 0.18 -1.33 0.00 0.00 177.39 177.08 1xl6 n LEU 42 N -2.38 1.74 -0.04 2.23 4.77 0.49 -4.66 117.00 119.14 1xl6 n LEU 42 Ca -0.04 -1.87 -0.02 0.00 -0.03 0.00 0.00 56.01 54.05 1xl6 n LEU 42 Cb 0.59 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1xl6 n LEU 42 CO 0.44 0.46 -0.79 0.41 -1.33 0.00 0.00 177.39 176.58 1xl6 n THR 43 N -0.56 0.51 -2.71 -5.08 -1.04 0.81 -4.96 114.28 101.25 1xl6 n THR 43 Ca 0.02 -0.41 -0.37 0.00 -2.04 0.00 0.00 64.05 61.26 1xl6 n THR 43 Cb 0.35 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.41 1xl6 n THR 43 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1xl6 s VAL 44 N -2.46 4.08 0.64 12.58 -7.23 -1.26 -5.01 120.40 121.73 1xl6 s VAL 44 Ca -0.05 1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 61.62 1xl6 s VAL 44 Cb 0.05 -3.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 1xl6 s VAL 44 CO 0.47 0.09 0.78 -1.54 -0.31 0.00 0.00 175.10 174.59 1xl6 n SER 45 N 0.37 -0.10 -0.14 4.85 3.41 -1.26 -4.41 113.62 116.34 1xl6 n SER 45 Ca 0.03 0.72 -0.08 0.00 -0.26 0.00 0.00 58.87 59.27 1xl6 n SER 45 Cb 0.50 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 1xl6 n SER 45 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1xl6 h TRP 46 N 0.10 -1.07 -0.88 7.33 4.06 -1.98 0.38 115.95 123.91 1xl6 h TRP 46 Ca -0.47 0.07 0.23 0.00 2.06 0.00 0.00 58.89 60.78 1xl6 h TRP 46 Cb 1.36 0.53 -0.15 0.00 -1.00 0.00 0.00 29.16 29.91 1xl6 h TRP 46 CO 0.36 -0.41 0.13 -1.35 -3.56 0.00 0.00 178.44 173.60 1xl6 h PRO 47 N -0.27 0.12 -0.06 0.49 0.11 -2.00 0.45 132.00 130.84 1xl6 h PRO 47 Ca 0.17 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xl6 h PRO 47 Cb 0.56 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1xl6 h PRO 47 CO -0.58 0.08 0.02 0.28 -0.21 0.00 0.00 178.00 177.58 1xl6 h VAL 48 N 0.12 1.16 -0.43 3.15 2.07 -0.75 -2.68 116.25 118.89 1xl6 h VAL 48 Ca 0.53 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1xl6 h VAL 48 Cb 1.06 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 1xl6 h VAL 48 CO -0.73 0.14 -0.10 0.15 0.02 0.00 0.00 177.57 177.04 1xl6 h PHE 49 N -0.09 -0.22 -0.90 1.57 3.57 0.32 -0.16 116.94 121.03 1xl6 h PHE 49 Ca 0.02 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1xl6 h PHE 49 Cb 0.20 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 1xl6 h PHE 49 CO -0.01 -0.18 0.55 0.82 -2.23 0.00 0.00 178.31 177.26 1xl6 h ILE 50 N 0.00 0.95 0.46 1.41 2.04 -0.26 -1.65 117.51 120.46 1xl6 h ILE 50 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1xl6 h ILE 50 Cb 0.32 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1xl6 h ILE 50 CO -0.44 0.17 -0.22 0.74 0.00 0.00 0.00 178.15 178.40 1xl6 h THR 51 N 0.92 0.54 -0.34 -0.27 2.02 -0.82 0.55 112.91 115.50 1xl6 h THR 51 Ca 0.43 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.52 1xl6 h THR 51 Cb 0.36 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1xl6 h THR 51 CO -0.24 0.03 0.49 -0.07 0.37 0.00 0.00 175.52 176.11 1xl6 h LEU 52 N -0.73 0.00 0.03 2.58 3.38 -0.39 0.69 115.31 120.86 1xl6 h LEU 52 Ca -0.06 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.54 1xl6 h LEU 52 Cb 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1xl6 h LEU 52 CO 0.10 0.00 -2.27 0.00 0.09 0.00 0.00 178.44 176.36 1xl6 n ILE 53 N -3.44 1.54 -0.20 1.22 3.06 -0.69 -3.23 119.36 117.62 1xl6 n ILE 53 Ca 0.06 -0.69 -0.04 0.00 -2.50 0.00 0.00 62.75 59.58 1xl6 n ILE 53 Cb 0.64 -1.19 0.14 0.00 0.54 0.00 0.00 39.64 39.77 1xl6 n ILE 53 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1xl6 h THR 54 N 0.01 1.24 -0.11 9.51 2.02 0.25 0.39 112.91 126.22 1xl6 h THR 54 Ca -0.51 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 1xl6 h THR 54 Cb 2.03 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1xl6 h THR 54 CO -0.00 0.31 -0.06 1.23 0.37 0.00 0.00 175.52 177.37 1xl6 h GLY 55 N 1.05 0.26 0.84 2.16 0.00 0.09 -2.34 103.07 105.12 1xl6 h GLY 55 Ca 0.22 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1xl6 h GLY 55 CO -0.01 0.22 0.43 -2.00 0.00 0.00 0.00 176.54 175.18 1xl6 h LEU 56 N -0.13 0.70 -0.46 3.11 5.85 -1.45 -1.25 115.31 121.69 1xl6 h LEU 56 Ca 0.02 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1xl6 h LEU 56 Cb 0.53 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1xl6 h LEU 56 CO 0.02 0.48 0.10 0.22 -0.34 0.00 0.00 178.44 178.92 1xl6 h TYR 57 N 0.84 0.17 -0.05 1.25 3.20 -0.13 -2.89 116.97 119.35 1xl6 h TYR 57 Ca 0.29 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1xl6 h TYR 57 Cb 0.05 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.32 1xl6 h TYR 57 CO -0.05 0.02 -0.44 -0.07 -1.64 0.00 0.00 178.16 175.98 1xl6 h LEU 58 N 0.24 0.48 0.00 2.82 3.38 -0.99 -3.14 115.31 118.09 1xl6 h LEU 58 Ca 0.23 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xl6 h LEU 58 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xl6 h LEU 58 CO -0.29 1.09 0.00 1.33 0.09 0.00 0.00 178.44 180.67 1xl6 n VAL 59 N -4.32 0.00 -0.12 1.22 0.24 -0.51 -0.82 118.33 114.01 1xl6 n VAL 59 Ca -0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 1xl6 n VAL 59 Cb 0.58 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 32.11 1xl6 n VAL 59 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1xl6 n THR 60 N -0.98 1.49 0.38 3.34 -1.04 -1.10 -3.76 114.28 112.61 1xl6 n THR 60 Ca 0.12 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 61.37 1xl6 n THR 60 Cb 0.06 -1.36 -0.08 0.00 -1.82 0.00 0.00 70.33 67.13 1xl6 n THR 60 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xl6 h ASN 61 N 0.00 -0.83 -1.25 8.00 2.35 -1.31 -1.25 115.58 121.29 1xl6 h ASN 61 Ca -0.57 0.01 0.38 0.00 -0.55 0.00 0.00 56.30 55.56 1xl6 h ASN 61 Cb 1.93 0.21 -0.10 0.00 0.05 0.00 0.00 38.32 40.41 1xl6 h ASN 61 CO -0.07 -0.49 0.83 0.00 -1.65 0.00 0.00 177.43 176.05 1xl6 h ALA 62 N -1.04 2.68 0.22 -0.83 0.00 -1.19 0.55 119.26 119.65 1xl6 h ALA 62 Ca -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xl6 h ALA 62 Cb 0.77 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xl6 h ALA 62 CO 0.16 -1.20 -0.11 -0.07 0.00 0.00 0.00 179.25 178.03 1xl6 h LEU 63 N 0.17 -0.25 -2.00 0.00 3.38 -1.59 -1.70 115.31 113.32 1xl6 h LEU 63 Ca 0.72 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.67 1xl6 h LEU 63 Cb 2.26 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 43.05 1xl6 h LEU 63 CO -0.31 0.27 0.45 -0.26 0.09 0.00 0.00 178.44 178.69 1xl6 h PHE 64 N -0.99 0.00 -0.03 1.13 -1.00 0.23 0.94 116.94 117.23 1xl6 h PHE 64 Ca -0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1xl6 h PHE 64 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 1xl6 h PHE 64 CO 0.05 0.00 -0.01 0.00 -1.61 0.00 0.00 178.31 176.74 1xl6 h ALA 65 N 1.64 0.04 -0.27 2.45 0.00 0.03 0.88 119.26 124.03 1xl6 h ALA 65 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xl6 h ALA 65 Cb 1.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1xl6 h ALA 65 CO -0.00 -0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.02 1xl6 h LEU 66 N -0.31 0.14 -1.25 0.00 3.38 0.71 -0.80 115.31 117.17 1xl6 h LEU 66 Ca 0.01 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1xl6 h LEU 66 Cb 0.39 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1xl6 h LEU 66 CO 0.00 0.12 0.59 0.00 0.09 0.00 0.00 178.44 179.24 1xl6 h ALA 67 N 1.16 1.83 0.36 1.53 0.00 0.86 0.15 119.26 125.14 1xl6 h ALA 67 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xl6 h ALA 67 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xl6 h ALA 67 CO -0.10 -0.10 -0.17 1.88 0.00 0.00 0.00 179.25 180.76 1xl6 h TYR 68 N 0.69 -0.45 -0.16 0.00 0.99 0.19 -2.99 116.97 115.25 1xl6 h TYR 68 Ca 0.48 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.24 1xl6 h TYR 68 Cb 0.79 0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.66 1xl6 h TYR 68 CO -0.00 -0.12 0.21 -0.07 -0.00 0.00 0.00 178.16 178.18 1xl6 h LEU 69 N -0.96 0.00 0.00 3.88 3.38 -0.78 0.31 115.31 121.13 1xl6 h LEU 69 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xl6 h LEU 69 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xl6 h LEU 69 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1xl6 n ALA 70 N -2.26 2.07 0.79 1.53 0.00 0.48 -1.84 120.51 121.29 1xl6 n ALA 70 Ca 0.01 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1xl6 n ALA 70 Cb 0.32 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1xl6 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl6 n GLY 72 N 1.27 0.07 1.52 0.00 0.00 -0.76 -4.57 105.19 102.71 1xl6 n GLY 72 Ca 0.06 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 1xl6 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xl6 n ASP 73 N 0.00 3.98 0.00 1.61 9.92 -1.26 -4.59 116.55 126.20 1xl6 n ASP 73 Ca 0.00 -2.65 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 1xl6 n ASP 73 Cb 0.00 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1xl6 n ASP 73 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1xl6 n VAL 74 N 0.09 0.00 -1.46 2.53 3.14 -1.26 -4.75 118.33 116.62 1xl6 n VAL 74 Ca 0.21 1.37 -0.57 0.00 -2.96 0.00 0.00 64.34 62.39 1xl6 n VAL 74 Cb 0.83 -2.16 -0.08 0.00 -1.06 0.00 0.00 33.84 31.37 1xl6 n VAL 74 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1xl6 n ILE 75 N -1.99 0.00 -2.83 1.55 5.41 -1.26 -4.35 119.36 115.89 1xl6 n ILE 75 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 1xl6 n ILE 75 Cb 0.00 -0.08 -0.04 0.00 -0.71 0.00 0.00 39.64 38.81 1xl6 n ILE 75 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xl6 s GLU 76 N 0.45 4.59 0.00 0.38 2.12 -1.06 -3.76 118.70 121.42 1xl6 s GLU 76 Ca 0.88 1.28 0.00 0.00 0.36 0.00 0.00 54.97 57.49 1xl6 s GLU 76 Cb -1.24 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 29.76 1xl6 s GLU 76 CO 0.58 0.18 0.00 0.09 -0.54 0.00 0.00 175.26 175.56 1xl6 n ASN 77 N 3.08 -3.51 -2.90 -1.70 4.13 -1.26 -4.27 115.26 108.82 1xl6 n ASN 77 Ca 0.01 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.20 1xl6 n ASN 77 Cb 0.50 -1.12 0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1xl6 n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xl6 n ALA 78 N 1.00 0.25 -2.88 5.41 0.00 -1.25 -4.99 120.51 118.05 1xl6 n ALA 78 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 1xl6 n ALA 78 Cb 0.10 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1xl6 n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xl6 s ARG 79 N -3.05 3.14 -0.07 0.00 0.52 -1.26 -5.06 118.95 113.17 1xl6 s ARG 79 Ca 0.21 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 1xl6 s ARG 79 Cb -0.01 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1xl6 s ARG 79 CO 0.13 0.42 1.63 -2.14 0.02 0.00 0.00 175.30 175.37 1xl6 s PRO 80 N -3.80 4.17 0.00 3.54 0.02 -1.26 -3.34 135.00 134.32 1xl6 s PRO 80 Ca 0.33 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1xl6 s PRO 80 Cb -0.09 -3.98 0.00 0.00 0.02 0.00 0.00 34.50 30.46 1xl6 s PRO 80 CO 0.26 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1xl6 n GLY 81 N 4.13 0.01 3.60 0.52 0.00 -1.26 -4.92 105.19 107.27 1xl6 n GLY 81 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xl6 n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xl6 s SER 82 N -2.01 6.12 0.43 1.61 0.15 -1.21 -4.87 113.70 113.91 1xl6 s SER 82 Ca 0.00 1.08 0.18 0.00 0.70 0.00 0.00 55.95 57.91 1xl6 s SER 82 Cb 0.00 -2.53 0.98 0.00 -1.71 0.00 0.00 66.02 62.76 1xl6 s SER 82 CO 0.00 -1.57 1.91 0.15 1.20 0.00 0.00 173.24 174.94 1xl6 h PHE 83 N 11.77 0.00 -0.28 3.44 3.57 -1.92 -2.52 116.94 131.01 1xl6 h PHE 83 Ca -0.31 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.02 1xl6 h PHE 83 Cb 1.14 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 1xl6 h PHE 83 CO 0.96 0.26 0.22 2.41 -2.23 0.00 0.00 178.31 179.93 1xl6 n THR 84 N -3.92 2.10 0.00 4.41 -1.04 -1.26 -1.24 114.28 113.33 1xl6 n THR 84 Ca -0.02 -0.90 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 1xl6 n THR 84 Cb 0.34 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1xl6 n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xl6 n ASP 85 N 0.50 0.00 -0.04 8.00 9.92 -0.96 -4.76 116.55 129.21 1xl6 n ASP 85 Ca 0.17 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.27 1xl6 n ASP 85 Cb 0.66 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.00 1xl6 n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xl6 n ALA 86 N -0.25 1.20 -0.17 2.24 0.00 -1.10 -3.23 120.51 119.21 1xl6 n ALA 86 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 53.44 52.59 1xl6 n ALA 86 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 19.45 18.97 1xl6 n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xl6 h PHE 87 N 0.03 0.40 -0.03 0.00 3.57 -1.46 -0.52 116.94 118.93 1xl6 h PHE 87 Ca -0.44 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 60.99 1xl6 h PHE 87 Cb 2.03 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 1xl6 h PHE 87 CO 0.04 0.16 -0.44 0.74 -2.23 0.00 0.00 178.31 176.58 1xl6 h PHE 88 N 0.43 0.07 -0.46 0.41 0.05 -1.79 -2.33 116.94 113.31 1xl6 h PHE 88 Ca 0.24 -0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.92 1xl6 h PHE 88 Cb 0.22 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.14 1xl6 h PHE 88 CO -0.14 0.49 -0.08 0.35 -0.18 0.00 0.00 178.31 178.76 1xl6 h PHE 89 N 0.05 0.88 0.31 -0.55 3.57 -1.13 -1.66 116.94 118.41 1xl6 h PHE 89 Ca 0.00 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1xl6 h PHE 89 Cb 0.81 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1xl6 h PHE 89 CO 0.00 0.85 -0.15 1.03 -2.23 0.00 0.00 178.31 177.82 1xl6 h SER 90 N 0.74 -0.35 -0.34 0.41 0.87 -0.87 0.29 113.55 114.29 1xl6 h SER 90 Ca 0.13 -0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 1xl6 h SER 90 Cb 0.56 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1xl6 h SER 90 CO 0.03 -0.01 0.36 0.58 -0.53 0.00 0.00 176.83 177.27 1xl6 h VAL 91 N -0.72 0.42 0.00 2.23 2.07 -1.36 1.88 116.25 120.77 1xl6 h VAL 91 Ca -0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1xl6 h VAL 91 Cb 0.49 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xl6 h VAL 91 CO 0.07 0.00 -1.24 0.00 0.02 0.00 0.00 177.57 176.41 1xl6 n GLN 92 N -3.77 0.61 -0.05 1.57 6.02 -0.63 -3.33 117.38 117.80 1xl6 n GLN 92 Ca 0.06 0.17 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 1xl6 n GLN 92 Cb 0.53 -1.81 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 1xl6 n GLN 92 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1xl6 h THR 93 N 0.00 0.87 0.23 5.09 2.02 0.36 0.83 112.91 122.31 1xl6 h THR 93 Ca -0.09 -2.27 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1xl6 h THR 93 Cb 1.31 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1xl6 h THR 93 CO 0.02 0.57 -0.11 -0.03 0.37 0.00 0.00 175.52 176.34 1xl6 h MET 94 N -0.55 -0.30 0.00 6.66 1.85 0.25 -2.25 114.93 120.58 1xl6 h MET 94 Ca -0.36 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1xl6 h MET 94 Cb 1.60 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.70 1xl6 h MET 94 CO -0.07 -0.03 0.00 0.00 -0.40 0.00 0.00 176.91 176.42 1xl6 n ALA 95 N -2.37 1.79 -2.27 0.39 0.00 -1.21 -4.56 120.51 112.29 1xl6 n ALA 95 Ca -0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1xl6 n ALA 95 Cb 0.22 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1xl6 n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xl6 n THR 96 N -0.68 -0.54 0.16 0.00 -2.24 -0.85 -4.89 114.28 105.24 1xl6 n THR 96 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1xl6 n THR 96 Cb 0.01 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.37 1xl6 n THR 96 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xl6 h ILE 97 N 0.00 0.00 -5.65 2.28 2.04 -1.56 -3.49 117.51 111.12 1xl6 h ILE 97 Ca -0.32 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 64.88 1xl6 h ILE 97 Cb 1.18 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1xl6 h ILE 97 CO 0.39 0.00 -0.25 0.61 0.00 0.00 0.00 178.15 178.90 1xl6 n GLY 98 N 0.50 -1.25 0.35 5.37 0.00 0.28 -4.87 105.19 105.58 1xl6 n GLY 98 Ca -0.06 0.50 0.17 0.00 0.00 0.00 0.00 46.02 46.63 1xl6 n GLY 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xl6 h TYR 99 N 0.24 0.00 0.00 1.61 -1.99 -1.95 -3.46 116.97 111.42 1xl6 h TYR 99 Ca -0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1xl6 h TYR 99 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1xl6 h TYR 99 CO 0.21 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.78 1xl6 n GLY 100 N -1.59 2.87 0.07 3.88 0.00 -1.26 -4.86 105.19 104.30 1xl6 n GLY 100 Ca 0.06 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1xl6 n GLY 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xl6 n LYS 101 N 0.00 0.05 -0.34 1.61 3.00 -1.26 -1.73 118.16 119.49 1xl6 n LYS 101 Ca 0.00 0.50 0.05 0.00 -0.00 0.00 0.00 58.31 58.86 1xl6 n LYS 101 Cb 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 35.03 33.35 1xl6 n LYS 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xl6 n LEU 102 N -1.73 1.29 -3.47 3.14 4.77 -1.26 -4.62 117.00 115.12 1xl6 n LEU 102 Ca -0.01 -2.18 -0.31 0.00 -0.03 0.00 0.00 56.01 53.48 1xl6 n LEU 102 Cb 0.10 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1xl6 n LEU 102 CO 0.03 0.54 -0.92 2.30 -1.33 0.00 0.00 177.39 178.01 1xl6 n ILE 103 N -0.72 0.00 -0.85 -0.08 -5.35 -0.70 -4.21 119.36 107.45 1xl6 n ILE 103 Ca 0.09 -0.42 -0.28 0.00 -0.27 0.00 0.00 62.75 61.86 1xl6 n ILE 103 Cb 0.69 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 38.81 1xl6 n ILE 103 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1xl6 s PRO 104 N -1.38 -0.53 -0.07 6.28 0.02 -1.26 -2.55 135.00 135.51 1xl6 s PRO 104 Ca 0.39 0.57 -0.03 0.00 0.02 0.00 0.00 61.00 61.96 1xl6 s PRO 104 Cb -0.25 -1.62 0.04 0.00 0.02 0.00 0.00 34.50 32.69 1xl6 s PRO 104 CO 0.65 -3.39 0.13 0.42 -0.33 0.00 0.00 177.00 174.48 1xl6 s ILE 105 N -2.71 -0.18 0.00 2.83 -1.09 -1.26 -4.64 121.20 114.14 1xl6 s ILE 105 Ca 0.67 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1xl6 s ILE 105 Cb -0.21 -0.24 0.00 0.00 -1.58 0.00 0.00 42.46 40.43 1xl6 s ILE 105 CO 0.61 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 1xl6 n GLY 106 N 5.07 0.84 0.13 6.18 0.00 -1.26 -4.13 105.19 112.02 1xl6 n GLY 106 Ca -0.09 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 1xl6 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xl6 n PRO 107 N 3.50 0.17 -0.13 1.61 -0.05 -1.26 -4.46 135.00 134.38 1xl6 n PRO 107 Ca 0.00 0.04 -0.09 0.00 -0.05 0.00 0.00 63.50 63.41 1xl6 n PRO 107 Cb 0.00 -1.09 -0.01 0.00 -0.05 0.00 0.00 33.50 32.35 1xl6 n PRO 107 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 1xl6 h LEU 108 N -0.03 0.51 0.00 1.53 3.38 -1.99 -0.72 115.31 117.99 1xl6 h LEU 108 Ca -0.16 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xl6 h LEU 108 Cb 1.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1xl6 h LEU 108 CO -0.04 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1xl6 n ALA 109 N -2.27 -0.12 -0.23 1.53 0.00 -1.26 -0.95 120.51 117.21 1xl6 n ALA 109 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xl6 n ALA 109 Cb 0.10 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.62 1xl6 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xl6 n ASN 110 N -0.98 -0.30 -0.26 0.00 3.02 -1.25 0.33 115.26 115.82 1xl6 n ASN 110 Ca 0.00 1.09 -0.04 0.00 -0.03 0.00 0.00 54.58 55.60 1xl6 n ASN 110 Cb 0.00 -0.30 0.12 0.00 -0.61 0.00 0.00 39.78 38.99 1xl6 n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xl6 h THR 111 N 0.00 1.25 -0.32 3.41 1.03 -1.17 -0.45 112.91 116.66 1xl6 h THR 111 Ca 0.27 -0.73 -0.03 0.00 -0.01 0.00 0.00 66.41 65.90 1xl6 h THR 111 Cb 0.43 0.29 -0.02 0.00 -1.07 0.00 0.00 68.15 67.78 1xl6 h THR 111 CO -0.64 0.30 0.05 -0.07 -0.01 0.00 0.00 175.52 175.16 1xl6 h LEU 112 N 1.10 0.43 0.69 0.00 3.38 0.73 -3.04 115.31 118.59 1xl6 h LEU 112 Ca 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1xl6 h LEU 112 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xl6 h LEU 112 CO -0.03 0.46 -0.36 0.58 0.09 0.00 0.00 178.44 179.18 1xl6 h VAL 113 N 0.46 0.00 -1.90 1.22 2.07 0.84 0.16 116.25 119.09 1xl6 h VAL 113 Ca 0.11 0.00 0.56 0.00 0.82 0.00 0.00 66.70 68.19 1xl6 h VAL 113 Cb 0.22 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.90 1xl6 h VAL 113 CO 0.00 0.00 1.35 0.35 0.02 0.00 0.00 177.57 179.29 1xl6 n THR 114 N -4.65 -0.04 0.10 2.57 -2.24 -0.82 0.79 114.28 109.99 1xl6 n THR 114 Ca -0.12 1.55 -0.24 0.00 -2.27 0.00 0.00 64.05 62.97 1xl6 n THR 114 Cb 0.38 -2.57 -0.15 0.00 -2.10 0.00 0.00 70.33 65.89 1xl6 n THR 114 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xl6 h LEU 115 N 0.00 0.69 -0.11 3.22 5.85 -1.24 -3.02 115.31 120.70 1xl6 h LEU 115 Ca 0.94 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xl6 h LEU 115 Cb 3.67 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 44.47 1xl6 h LEU 115 CO -0.08 1.72 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.63 1xl6 h GLU 116 N 0.06 0.22 0.04 1.25 4.81 0.33 -2.40 114.58 118.88 1xl6 h GLU 116 Ca -0.29 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1xl6 h GLU 116 Cb 2.07 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.44 1xl6 h GLU 116 CO 0.21 0.53 -0.02 0.00 -0.73 0.00 0.00 179.01 179.00 1xl6 h ALA 117 N 0.68 -0.05 -1.00 2.92 0.00 -1.42 -0.17 119.26 120.22 1xl6 h ALA 117 Ca 0.03 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1xl6 h ALA 117 Cb 0.45 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1xl6 h ALA 117 CO 0.01 -0.51 0.64 1.25 0.00 0.00 0.00 179.25 180.64 1xl6 h LEU 118 N -0.09 0.51 -0.06 0.00 5.85 -1.54 0.11 115.31 120.09 1xl6 h LEU 118 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xl6 h LEU 118 Cb 0.07 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1xl6 h LEU 118 CO 0.01 0.15 0.02 0.00 -0.34 0.00 0.00 178.44 178.28 1xl6 n GLY 120 N -0.67 -1.07 0.09 0.00 0.00 0.15 -0.25 105.19 103.44 1xl6 n GLY 120 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 1xl6 n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xl6 h MET 121 N 0.00 -0.17 -0.34 1.61 -1.53 -0.29 -2.44 114.93 111.77 1xl6 h MET 121 Ca 0.00 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1xl6 h MET 121 Cb 0.27 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.35 1xl6 h MET 121 CO 0.00 -0.11 0.21 -0.07 0.14 0.00 0.00 176.91 177.08 1xl6 h LEU 122 N -0.65 0.40 -2.66 3.39 3.38 -1.36 0.43 115.31 118.24 1xl6 h LEU 122 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xl6 h LEU 122 Cb 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xl6 h LEU 122 CO 0.03 0.31 -0.01 1.23 0.09 0.00 0.00 178.44 180.09 1xl6 h GLY 123 N 0.50 0.00 0.27 0.83 0.00 -0.68 1.06 103.07 105.04 1xl6 h GLY 123 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 1xl6 h GLY 123 CO -0.02 0.00 -1.08 -2.00 0.00 0.00 0.00 176.54 173.43 1xl6 h LEU 124 N 0.00 0.19 0.25 3.11 5.85 0.29 -3.02 115.31 121.97 1xl6 h LEU 124 Ca -0.00 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 1xl6 h LEU 124 Cb 0.05 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xl6 h LEU 124 CO 0.00 1.46 -0.19 0.00 -0.34 0.00 0.00 178.44 179.37 1xl6 h ALA 125 N -0.17 -0.98 -0.56 1.25 0.00 0.77 0.10 119.26 119.67 1xl6 h ALA 125 Ca -0.26 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1xl6 h ALA 125 Cb 1.47 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 1xl6 h ALA 125 CO -0.04 -0.97 -0.50 0.28 0.00 0.00 0.00 179.25 178.02 1xl6 h VAL 126 N -0.42 0.00 -1.20 0.00 2.07 0.87 0.76 116.25 118.32 1xl6 h VAL 126 Ca -0.03 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.84 1xl6 h VAL 126 Cb 0.35 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 1xl6 h VAL 126 CO 0.01 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.39 1xl6 h ALA 127 N 0.00 2.59 0.00 1.67 0.00 -1.40 0.17 119.26 122.29 1xl6 h ALA 127 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xl6 h ALA 127 Cb 0.46 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xl6 h ALA 127 CO -0.64 -1.09 -0.11 0.00 0.00 0.00 0.00 179.25 177.41 1xl6 h ALA 128 N 1.57 0.01 0.05 0.00 0.00 0.29 -1.85 119.26 119.33 1xl6 h ALA 128 Ca 0.70 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1xl6 h ALA 128 Cb 2.12 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 1xl6 h ALA 128 CO -0.32 -0.02 -0.54 0.77 0.00 0.00 0.00 179.25 179.15 1xl6 h SER 129 N -0.68 -1.64 0.06 0.00 0.02 0.29 -1.68 113.55 109.91 1xl6 h SER 129 Ca -0.01 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1xl6 h SER 129 Cb 0.90 0.62 -0.05 0.00 0.14 0.00 0.00 62.40 64.01 1xl6 h SER 129 CO 0.02 -0.54 -0.51 -0.07 -1.14 0.00 0.00 176.83 174.59 1xl6 h LEU 130 N -0.71 -1.56 -1.58 5.07 3.38 -1.29 0.23 115.31 118.85 1xl6 h LEU 130 Ca 0.01 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.39 1xl6 h LEU 130 Cb 0.74 0.59 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1xl6 h LEU 130 CO -0.33 -0.53 0.86 -0.29 0.09 0.00 0.00 178.44 178.24 1xl6 h ILE 131 N -0.70 0.19 0.07 1.22 2.10 -1.05 0.81 117.51 120.15 1xl6 h ILE 131 Ca 0.01 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.65 1xl6 h ILE 131 Cb 0.73 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 1xl6 h ILE 131 CO -0.32 0.00 -1.66 0.22 -1.08 0.00 0.00 178.15 175.31 1xl6 h TYR 132 N 0.00 0.27 -0.37 2.19 3.20 0.14 -2.75 116.97 119.65 1xl6 h TYR 132 Ca 0.39 -0.20 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1xl6 h TYR 132 Cb 2.12 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 40.29 1xl6 h TYR 132 CO 0.00 1.65 -0.28 0.00 -1.64 0.00 0.00 178.16 177.90 1xl6 h ALA 133 N -0.19 -0.10 0.16 1.82 0.00 0.15 -1.62 119.26 119.50 1xl6 h ALA 133 Ca -0.39 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xl6 h ALA 133 Cb 1.70 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 1xl6 h ALA 133 CO -0.05 -0.67 -0.38 0.00 0.00 0.00 0.00 179.25 178.16 1xl6 h ARG 134 N -0.22 -0.57 0.00 0.00 3.08 -1.21 0.58 114.38 116.04 1xl6 h ARG 134 Ca 0.17 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xl6 h ARG 134 Cb 0.50 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xl6 h ARG 134 CO -0.49 -0.38 0.26 1.19 -1.07 0.00 0.00 179.97 179.47 1xl6 n PHE 135 N -4.61 0.00 -2.11 3.04 0.99 -0.91 -1.17 117.46 112.69 1xl6 n PHE 135 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.25 1xl6 n PHE 135 Cb 0.31 -0.16 0.06 0.00 -1.00 0.00 0.00 39.48 38.68 1xl6 n PHE 135 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1xl6 n THR 136 N -1.11 2.15 -1.87 4.37 -2.24 0.19 -4.67 114.28 111.10 1xl6 n THR 136 Ca 0.00 -3.69 -0.11 0.00 -2.27 0.00 0.00 64.05 57.98 1xl6 n THR 136 Cb 0.26 -0.48 0.10 0.00 -2.10 0.00 0.00 70.33 68.11 1xl6 n THR 136 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xl6 n ARG 137 N -0.71 2.75 -0.77 -0.78 1.74 -0.31 -4.99 116.66 113.58 1xl6 n ARG 137 Ca 0.32 -3.79 -0.27 0.00 -0.77 0.00 0.00 57.85 53.34 1xl6 n ARG 137 Cb 0.90 -1.98 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 1xl6 n ARG 137 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xl6 n PRO 138 N -0.86 0.00 -3.09 5.56 -0.02 -1.26 -4.94 135.00 130.39 1xl6 n PRO 138 Ca 0.33 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.54 1xl6 n PRO 138 Cb 0.86 -0.57 -0.01 0.00 -0.02 0.00 0.00 33.50 33.76 1xl6 n PRO 138 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xl6 s THR 139 N -0.50 5.00 0.00 3.45 -1.32 -1.26 -4.76 115.64 116.26 1xl6 s THR 139 Ca 0.36 -0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.60 1xl6 s THR 139 Cb -0.52 -3.82 -0.22 0.00 -1.51 0.00 0.00 72.50 66.42 1xl6 s THR 139 CO 0.30 -0.59 1.12 0.00 -2.21 0.00 0.00 174.62 173.24 1xl6 h ALA 140 N 0.86 0.09 -0.29 11.08 0.00 -1.92 -3.47 119.26 125.60 1xl6 h ALA 140 Ca -0.48 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 53.83 1xl6 h ALA 140 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1xl6 h ALA 140 CO 0.63 0.32 -0.06 0.41 0.00 0.00 0.00 179.25 180.55 1xl6 n GLY 141 N 0.99 0.35 3.59 0.00 0.00 -1.26 -4.88 105.19 103.99 1xl6 n GLY 141 Ca -0.10 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1xl6 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xl6 s VAL 142 N -2.12 4.89 -0.18 1.61 1.01 -1.26 -0.58 120.40 123.76 1xl6 s VAL 142 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1xl6 s VAL 142 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1xl6 s VAL 142 CO 0.00 0.38 0.23 -0.22 0.00 0.00 0.00 175.10 175.49 1xl6 s LEU 143 N 1.00 4.22 -0.10 3.92 2.96 -0.17 -4.93 118.68 125.57 1xl6 s LEU 143 Ca 0.05 0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1xl6 s LEU 143 Cb -0.14 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1xl6 s LEU 143 CO 0.03 0.11 0.11 -0.36 -1.32 0.00 0.00 176.35 174.92 1xl6 s PHE 144 N 0.52 3.48 0.44 5.38 0.40 -1.26 -0.77 117.98 126.18 1xl6 s PHE 144 Ca 0.13 0.42 -0.25 0.00 -0.60 0.00 0.00 56.93 56.63 1xl6 s PHE 144 Cb -0.12 -1.89 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 1xl6 s PHE 144 CO 0.02 0.66 1.38 -1.54 0.70 0.00 0.00 175.22 176.45 1xl6 s SER 145 N -1.09 5.97 0.50 1.36 1.04 0.03 -4.90 113.70 116.61 1xl6 s SER 145 Ca 0.16 2.82 0.28 0.00 0.48 0.00 0.00 55.95 59.69 1xl6 s SER 145 Cb -0.12 -2.65 1.31 0.00 0.10 0.00 0.00 66.02 64.66 1xl6 s SER 145 CO 0.05 -1.10 1.99 0.77 0.98 0.00 0.00 173.24 175.93 1xl6 h SER 146 N 2.37 0.00 -2.25 7.02 4.64 -1.90 -3.45 113.55 119.98 1xl6 h SER 146 Ca -0.50 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.24 1xl6 h SER 146 Cb 1.26 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 1xl6 h SER 146 CO 0.61 0.14 -0.56 -0.13 -0.87 0.00 0.00 176.83 176.02 1xl6 s ARG 147 N -3.94 1.91 0.38 4.77 3.00 -1.26 -5.00 118.95 118.81 1xl6 s ARG 147 Ca -0.01 -2.14 0.06 0.00 0.00 0.00 0.00 55.73 53.64 1xl6 s ARG 147 Cb 0.12 -1.09 -0.07 0.00 0.00 0.00 0.00 34.95 33.90 1xl6 s ARG 147 CO 0.59 -0.28 0.02 -1.64 0.00 0.00 0.00 175.30 173.98 1xl6 s MET 148 N -3.81 1.86 0.06 3.54 -1.94 0.25 -4.73 119.30 114.53 1xl6 s MET 148 Ca 0.25 -2.04 -0.10 0.00 -1.71 0.00 0.00 55.69 52.09 1xl6 s MET 148 Cb 0.06 -1.44 0.01 0.00 2.01 0.00 0.00 34.83 35.47 1xl6 s MET 148 CO 0.13 -0.07 0.23 0.14 -0.01 0.00 0.00 175.02 175.43 1xl6 s VAL 149 N -2.86 0.11 -0.25 -6.03 -7.23 -0.88 -1.02 120.40 102.24 1xl6 s VAL 149 Ca 0.35 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1xl6 s VAL 149 Cb 0.09 -1.06 0.07 0.00 0.56 0.00 0.00 36.38 36.05 1xl6 s VAL 149 CO 0.17 -0.51 0.01 -0.63 -0.31 0.00 0.00 175.10 173.84 1xl6 s ILE 150 N -3.01 1.14 0.18 -0.62 1.01 -1.17 -0.44 121.20 118.30 1xl6 s ILE 150 Ca -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1xl6 s ILE 150 Cb 0.01 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1xl6 s ILE 150 CO -0.06 -0.30 0.21 -0.94 0.00 0.00 0.00 174.94 173.85 1xl6 s SER 151 N 1.55 0.12 0.30 3.58 1.04 -1.05 -1.32 113.70 117.92 1xl6 s SER 151 Ca 0.00 -1.15 -0.28 0.00 0.48 0.00 0.00 55.95 55.00 1xl6 s SER 151 Cb -0.18 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 1xl6 s SER 151 CO -0.11 -0.88 1.08 -1.81 0.98 0.00 0.00 173.24 172.50 1xl6 s ASP 152 N -3.07 7.18 -0.14 7.02 1.11 -1.26 0.36 116.67 127.88 1xl6 s ASP 152 Ca 0.28 2.21 -0.07 0.00 0.18 0.00 0.00 52.55 55.15 1xl6 s ASP 152 Cb 0.05 -2.62 0.06 0.00 1.07 0.00 0.00 42.92 41.48 1xl6 s ASP 152 CO 0.06 -0.20 0.32 0.12 1.18 0.00 0.00 175.17 176.66 1xl6 s PHE 153 N -1.26 -0.50 -1.50 4.23 5.36 0.37 -4.88 117.98 119.81 1xl6 s PHE 153 Ca 0.47 1.08 -0.10 0.00 -0.96 0.00 0.00 56.93 57.42 1xl6 s PHE 153 Cb -0.30 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.58 1xl6 s PHE 153 CO 0.38 -0.33 0.82 0.39 -1.46 0.00 0.00 175.22 175.02 1xl6 n GLU 154 N 4.63 -4.74 -1.00 10.12 -0.58 -1.26 -1.57 120.64 126.24 1xl6 n GLU 154 Ca -0.18 0.54 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1xl6 n GLU 154 Cb 0.52 -5.24 -0.00 0.00 -0.57 0.00 0.00 31.44 26.16 1xl6 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl6 n GLY 155 N -1.66 0.39 3.03 0.62 0.00 -1.26 -5.02 105.19 101.29 1xl6 n GLY 155 Ca -0.07 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1xl6 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl6 s LYS 156 N -0.46 0.45 0.16 1.61 1.02 -0.61 -5.10 119.74 116.81 1xl6 s LYS 156 Ca 0.00 -0.72 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1xl6 s LYS 156 Cb 0.00 -0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 37.09 1xl6 s LYS 156 CO 0.00 0.01 1.43 -2.14 -0.92 0.00 0.00 175.35 173.72 1xl6 s PRO 157 N -1.62 4.30 -0.09 -1.68 0.02 -1.26 -0.48 135.00 134.19 1xl6 s PRO 157 Ca -0.12 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.06 1xl6 s PRO 157 Cb -0.09 -3.20 0.03 0.00 0.02 0.00 0.00 34.50 31.25 1xl6 s PRO 157 CO -0.00 -0.45 -0.04 0.99 -0.33 0.00 0.00 177.00 177.17 1xl6 s THR 158 N 0.83 0.68 -0.02 0.99 2.01 0.16 -0.29 115.64 119.99 1xl6 s THR 158 Ca 0.64 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1xl6 s THR 158 Cb -0.39 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1xl6 s THR 158 CO 0.33 0.31 1.36 -0.22 -0.69 0.00 0.00 174.62 175.71 1xl6 s LEU 159 N 1.80 4.30 0.24 4.42 2.96 0.01 -2.53 118.68 129.88 1xl6 s LEU 159 Ca 0.04 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1xl6 s LEU 159 Cb -0.12 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1xl6 s LEU 159 CO -0.06 -0.70 0.07 -0.04 -1.32 0.00 0.00 176.35 174.31 1xl6 s MET 160 N 2.43 1.35 -0.16 1.98 -1.94 0.42 0.11 119.30 123.49 1xl6 s MET 160 Ca 0.62 -1.72 -0.34 0.00 -1.71 0.00 0.00 55.69 52.54 1xl6 s MET 160 Cb -0.30 -0.28 0.14 0.00 2.01 0.00 0.00 34.83 36.40 1xl6 s MET 160 CO 0.25 -0.25 1.24 0.00 -0.01 0.00 0.00 175.02 176.24 1xl6 s MET 161 N -4.00 0.31 0.07 2.03 0.23 -0.90 -2.08 119.30 114.96 1xl6 s MET 161 Ca 0.35 -0.13 -0.02 0.00 -1.03 0.00 0.00 55.69 54.85 1xl6 s MET 161 Cb 0.07 0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1xl6 s MET 161 CO 0.12 -0.14 0.02 -0.98 -2.03 0.00 0.00 175.02 172.01 1xl6 s ARG 162 N -2.40 0.70 0.01 3.16 1.70 -1.26 -0.03 118.95 120.84 1xl6 s ARG 162 Ca 0.11 -1.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.13 1xl6 s ARG 162 Cb 0.00 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 1xl6 s ARG 162 CO -0.04 -0.16 0.01 -0.48 -1.08 0.00 0.00 175.30 173.55 1xl6 s LEU 163 N -2.93 2.05 0.13 -1.89 0.05 -0.46 -0.79 118.68 114.84 1xl6 s LEU 163 Ca 0.10 -0.39 0.07 0.00 0.05 0.00 0.00 54.13 53.95 1xl6 s LEU 163 Cb 0.07 0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 44.41 1xl6 s LEU 163 CO -0.08 -0.30 -0.16 0.00 -0.55 0.00 0.00 176.35 175.26 1xl6 s ALA 164 N -1.35 1.66 -0.37 1.48 0.00 0.05 -0.99 121.76 122.24 1xl6 s ALA 164 Ca -0.15 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 1xl6 s ALA 164 Cb -0.09 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xl6 s ALA 164 CO -0.00 0.17 0.65 1.21 0.00 0.00 0.00 175.76 177.79 1xl6 s ASN 165 N -2.41 6.42 -0.00 0.00 3.84 -0.41 -1.00 114.94 121.36 1xl6 s ASN 165 Ca 0.10 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1xl6 s ASN 165 Cb -0.06 -2.33 0.02 0.00 -0.55 0.00 0.00 41.25 38.33 1xl6 s ASN 165 CO 0.04 -0.63 0.60 0.18 -2.79 0.00 0.00 177.10 174.50 1xl6 n LEU 166 N 6.11 0.97 -4.15 3.21 4.77 0.25 -4.84 117.00 123.32 1xl6 n LEU 166 Ca -0.01 -0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 1xl6 n LEU 166 Cb 0.48 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1xl6 n LEU 166 CO 0.50 0.22 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.29 1xl6 s ARG 167 N -1.18 0.78 0.00 3.23 0.52 -1.26 -5.03 118.95 116.01 1xl6 s ARG 167 Ca 0.01 -1.32 0.30 0.00 -0.52 0.00 0.00 55.73 54.20 1xl6 s ARG 167 Cb 0.01 -0.04 1.41 0.00 0.52 0.00 0.00 34.95 36.86 1xl6 s ARG 167 CO 0.00 -0.07 1.96 -0.89 0.02 0.00 0.00 175.30 176.32 1xl6 n ILE 168 N -0.01 0.00 -3.82 1.52 5.41 -1.26 -4.81 119.36 116.40 1xl6 n ILE 168 Ca -0.12 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.21 1xl6 n ILE 168 Cb 0.61 -0.13 -0.05 0.00 -0.71 0.00 0.00 39.64 39.35 1xl6 n ILE 168 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1xl6 s GLU 169 N -2.26 3.52 0.37 0.38 8.01 -1.26 -5.08 118.70 122.38 1xl6 s GLU 169 Ca 0.36 -0.12 -0.24 0.00 0.01 0.00 0.00 54.97 54.98 1xl6 s GLU 169 Cb 0.21 -3.13 -0.10 0.00 -4.31 0.00 0.00 34.13 26.79 1xl6 s GLU 169 CO 0.42 0.70 0.95 -0.65 0.01 0.00 0.00 175.26 176.69 1xl6 s GLN 170 N -1.51 4.43 -0.21 1.61 -0.21 -1.26 -4.84 119.66 117.67 1xl6 s GLN 170 Ca 0.23 1.25 -0.05 0.00 0.02 0.00 0.00 55.36 56.82 1xl6 s GLN 170 Cb -0.13 -2.55 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 1xl6 s GLN 170 CO 0.12 0.14 -0.01 0.42 -2.12 0.00 0.00 175.29 173.84 1xl6 s ILE 171 N -1.84 3.74 0.05 1.08 1.01 -0.79 -0.28 121.20 124.17 1xl6 s ILE 171 Ca 0.55 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1xl6 s ILE 171 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1xl6 s ILE 171 CO 0.20 0.42 0.04 0.27 0.00 0.00 0.00 174.94 175.86 1xl6 s ILE 172 N 1.22 4.33 -0.94 2.92 -4.36 0.26 -0.57 121.20 124.07 1xl6 s ILE 172 Ca 0.03 -0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.69 1xl6 s ILE 172 Cb -0.15 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.52 1xl6 s ILE 172 CO 0.00 0.23 0.79 -0.62 0.24 0.00 0.00 174.94 175.59 1xl6 n GLU 173 N 0.86 -4.19 -2.85 0.37 1.02 -0.56 -0.68 120.64 114.61 1xl6 n GLU 173 Ca -0.11 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.32 1xl6 n GLU 173 Cb 0.52 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.71 1xl6 n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xl6 s ALA 174 N -3.30 3.30 -0.08 0.62 0.00 -0.40 -4.31 121.76 117.59 1xl6 s ALA 174 Ca 0.13 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.55 1xl6 s ALA 174 Cb -0.02 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1xl6 s ALA 174 CO 0.60 0.00 -0.17 -0.51 0.00 0.00 0.00 175.76 175.68 1xl6 s ASP 175 N 0.04 2.33 -0.06 0.00 1.01 0.31 0.01 116.67 120.32 1xl6 s ASP 175 Ca 0.43 -0.41 0.05 0.00 0.71 0.00 0.00 52.55 53.34 1xl6 s ASP 175 Cb -0.22 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.66 1xl6 s ASP 175 CO 0.26 0.09 -0.23 0.54 0.21 0.00 0.00 175.17 176.04 1xl6 s VAL 176 N 0.49 2.20 -0.15 -1.27 0.11 -0.16 -1.62 120.40 120.00 1xl6 s VAL 176 Ca -0.16 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1xl6 s VAL 176 Cb -0.16 -1.81 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1xl6 s VAL 176 CO 0.06 0.57 -0.21 -1.00 -3.33 0.00 0.00 175.10 171.19 1xl6 s HIS 177 N -0.14 2.68 -0.37 1.54 3.76 0.25 -4.75 115.29 118.27 1xl6 s HIS 177 Ca -0.04 -1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 53.40 1xl6 s HIS 177 Cb -0.14 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.79 1xl6 s HIS 177 CO 0.04 -0.67 0.14 -1.17 -0.85 0.00 0.00 174.74 172.23 1xl6 s LEU 178 N 0.98 4.72 -0.17 0.89 2.96 -1.26 -1.24 118.68 125.56 1xl6 s LEU 178 Ca -0.03 -1.60 -0.04 0.00 -0.22 0.00 0.00 54.13 52.25 1xl6 s LEU 178 Cb -0.15 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1xl6 s LEU 178 CO -0.06 -0.43 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.82 1xl6 s VAL 179 N 1.26 3.78 0.05 1.68 1.01 0.38 -1.90 120.40 126.66 1xl6 s VAL 179 Ca 0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1xl6 s VAL 179 Cb -0.21 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 1xl6 s VAL 179 CO -0.01 0.47 0.73 -0.22 0.00 0.00 0.00 175.10 176.07 1xl6 s LEU 180 N 0.63 4.46 -0.19 3.92 2.96 -0.29 -0.43 118.68 129.75 1xl6 s LEU 180 Ca -0.02 1.41 -0.01 0.00 -0.22 0.00 0.00 54.13 55.28 1xl6 s LEU 180 Cb -0.14 -3.17 0.05 0.00 0.50 0.00 0.00 46.19 43.43 1xl6 s LEU 180 CO 0.02 0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 1xl6 s VAL 181 N -0.23 0.87 0.21 1.68 1.01 0.13 0.24 120.40 124.30 1xl6 s VAL 181 Ca 0.36 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1xl6 s VAL 181 Cb -0.20 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1xl6 s VAL 181 CO 0.22 -0.07 0.21 0.00 0.00 0.00 0.00 175.10 175.46 1xl6 s ARG 182 N 1.72 1.26 -0.06 2.72 1.70 -0.36 -1.54 118.95 124.39 1xl6 s ARG 182 Ca -0.01 -1.53 -0.21 0.00 -0.47 0.00 0.00 55.73 53.50 1xl6 s ARG 182 Cb -0.17 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1xl6 s ARG 182 CO -0.07 -0.44 0.62 -1.12 -1.08 0.00 0.00 175.30 173.21 1xl6 s SER 183 N -3.12 6.92 0.26 -2.89 0.01 -0.91 0.72 113.70 114.68 1xl6 s SER 183 Ca 0.34 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.72 1xl6 s SER 183 Cb 0.05 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1xl6 s SER 183 CO 0.11 -0.03 0.08 -1.61 0.41 0.00 0.00 173.24 172.19 1xl6 s GLU 184 N 0.49 1.40 -0.05 12.44 2.02 0.21 -4.84 118.70 130.37 1xl6 s GLU 184 Ca 0.33 -1.75 0.03 0.00 0.02 0.00 0.00 54.97 53.60 1xl6 s GLU 184 Cb -0.17 -0.34 0.01 0.00 0.10 0.00 0.00 34.13 33.72 1xl6 s GLU 184 CO 0.16 -0.26 -0.11 0.42 0.02 0.00 0.00 175.26 175.49 1xl6 s ILE 185 N -3.68 1.02 0.62 -1.63 1.01 -1.26 0.99 121.20 118.27 1xl6 s ILE 185 Ca 0.36 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xl6 s ILE 185 Cb 0.08 -0.92 0.07 0.00 0.01 0.00 0.00 42.46 41.70 1xl6 s ILE 185 CO 0.13 0.32 0.87 -0.94 0.00 0.00 0.00 174.94 175.32 1xl6 s SER 186 N 0.41 4.91 0.25 3.58 1.04 0.11 -4.91 113.70 119.08 1xl6 s SER 186 Ca -0.08 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.21 1xl6 s SER 186 Cb -0.12 -0.58 0.45 0.00 0.10 0.00 0.00 66.02 65.87 1xl6 s SER 186 CO 0.02 -1.44 1.78 1.56 0.98 0.00 0.00 173.24 176.15 1xl6 h GLN 187 N -0.19 0.66 -0.18 4.02 4.20 -2.02 0.60 115.11 122.20 1xl6 h GLN 187 Ca -0.40 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1xl6 h GLN 187 Cb 1.29 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1xl6 h GLN 187 CO 0.49 0.44 0.00 0.39 -0.67 0.00 0.00 178.83 179.47 1xl6 n GLU 188 N -4.82 0.32 -0.97 1.46 4.71 -1.26 -4.72 120.64 115.35 1xl6 n GLU 188 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1xl6 n GLU 188 Cb 0.35 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 1xl6 n GLU 188 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xl6 n GLY 189 N 0.11 0.02 3.70 0.62 0.00 0.21 -4.94 105.19 104.91 1xl6 n GLY 189 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xl6 n GLY 189 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xl6 s MET 190 N -1.87 4.46 -0.26 1.61 0.23 -1.23 -4.73 119.30 117.50 1xl6 s MET 190 Ca 0.00 1.28 -0.15 0.00 -1.03 0.00 0.00 55.69 55.79 1xl6 s MET 190 Cb 0.00 -3.50 -0.04 0.00 -1.53 0.00 0.00 34.83 29.76 1xl6 s MET 190 CO 0.00 -0.16 0.36 0.54 -2.03 0.00 0.00 175.02 173.73 1xl6 s VAL 191 N 1.46 5.19 0.10 5.16 0.11 -1.26 0.06 120.40 131.22 1xl6 s VAL 191 Ca 0.47 0.56 0.04 0.00 -2.93 0.00 0.00 61.98 60.11 1xl6 s VAL 191 Cb -0.19 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1xl6 s VAL 191 CO 0.21 0.18 -0.10 0.72 -3.33 0.00 0.00 175.10 172.78 1xl6 s PHE 192 N 1.91 1.07 -0.06 1.54 -0.12 0.28 -4.93 117.98 117.67 1xl6 s PHE 192 Ca 0.15 -0.68 -0.27 0.00 -0.05 0.00 0.00 56.93 56.09 1xl6 s PHE 192 Cb -0.16 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.62 1xl6 s PHE 192 CO 0.09 -0.00 0.85 0.50 -0.05 0.00 0.00 175.22 176.61 1xl6 s ARG 193 N -2.92 4.47 0.09 1.99 6.06 -1.26 0.65 118.95 128.02 1xl6 s ARG 193 Ca 0.07 1.14 0.07 0.00 -2.50 0.00 0.00 55.73 54.51 1xl6 s ARG 193 Cb -0.02 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.48 1xl6 s ARG 193 CO -0.00 -0.05 -0.18 0.50 -2.50 0.00 0.00 175.30 173.07 1xl6 s ARG 194 N 1.13 0.99 -0.08 5.12 3.52 0.22 -4.93 118.95 124.92 1xl6 s ARG 194 Ca 0.44 -1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1xl6 s ARG 194 Cb -0.19 -1.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.04 1xl6 s ARG 194 CO 0.21 0.26 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.86 1xl6 s PHE 195 N -1.20 3.01 -0.09 5.12 0.40 -1.26 -1.22 117.98 122.74 1xl6 s PHE 195 Ca 0.03 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1xl6 s PHE 195 Cb -0.10 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.69 1xl6 s PHE 195 CO 0.03 0.33 -0.10 -1.01 0.70 0.00 0.00 175.22 175.18 1xl6 s HIS 196 N -0.71 1.47 -0.61 0.36 3.76 0.14 -4.95 115.29 114.74 1xl6 s HIS 196 Ca 0.11 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 54.12 1xl6 s HIS 196 Cb -0.11 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.46 1xl6 s HIS 196 CO 0.02 -0.41 1.07 -0.51 -0.85 0.00 0.00 174.74 174.07 1xl6 s ASP 197 N 1.22 6.30 0.02 1.40 1.01 -1.26 -1.13 116.67 124.23 1xl6 s ASP 197 Ca -0.04 -0.36 -0.30 0.00 0.71 0.00 0.00 52.55 52.55 1xl6 s ASP 197 Cb -0.14 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1xl6 s ASP 197 CO -0.03 -1.45 1.22 -0.76 0.21 0.00 0.00 175.17 174.37 1xl6 s LEU 198 N 4.57 4.34 -0.04 1.23 1.43 -0.80 -4.96 118.68 124.44 1xl6 s LEU 198 Ca 0.33 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 1xl6 s LEU 198 Cb -0.11 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1xl6 s LEU 198 CO 0.18 -0.53 1.36 0.42 0.23 0.00 0.00 176.35 178.01 1xl6 s THR 199 N 1.57 3.90 0.04 5.49 -4.23 -1.26 -4.63 115.64 116.52 1xl6 s THR 199 Ca 0.58 1.23 -0.07 0.00 -1.18 0.00 0.00 61.69 62.26 1xl6 s THR 199 Cb -0.28 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 1xl6 s THR 199 CO 0.27 -0.03 0.31 -0.76 -0.54 0.00 0.00 174.62 173.87 1xl6 s LEU 200 N 2.67 4.35 0.00 4.79 1.43 -1.26 -4.25 118.68 126.41 1xl6 s LEU 200 Ca 0.62 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1xl6 s LEU 200 Cb -0.29 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1xl6 s LEU 200 CO 0.24 0.21 0.20 0.35 0.23 0.00 0.00 176.35 177.57 1xl6 n THR 201 N 0.90 0.00 0.00 5.49 -2.24 -0.13 -4.29 114.28 114.01 1xl6 n THR 201 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1xl6 n THR 201 Cb 0.52 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1xl6 n THR 201 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xl6 n ARG 202 N -0.39 0.00 -0.01 -0.78 0.63 -1.26 -5.04 116.66 109.81 1xl6 n ARG 202 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1xl6 n ARG 202 Cb 0.01 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 1xl6 n ARG 202 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1xl6 n SER 203 N 0.00 0.35 -4.34 6.15 3.41 -1.26 -4.84 113.62 113.09 1xl6 n SER 203 Ca 0.00 -0.26 -0.34 0.00 -0.26 0.00 0.00 58.87 58.01 1xl6 n SER 203 Cb 0.00 1.72 -0.14 0.00 -0.26 0.00 0.00 64.21 65.53 1xl6 n SER 203 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xl6 s ARG 204 N -3.34 3.39 -0.27 4.33 6.06 -1.26 -0.98 118.95 126.87 1xl6 s ARG 204 Ca -0.04 -0.64 0.02 0.00 -2.50 0.00 0.00 55.73 52.57 1xl6 s ARG 204 Cb 0.14 -2.86 0.07 0.00 0.06 0.00 0.00 34.95 32.36 1xl6 s ARG 204 CO 0.88 -0.03 -0.05 0.45 -2.50 0.00 0.00 175.30 174.05 1xl6 s SER 205 N 1.00 4.33 0.32 -2.12 0.15 0.10 -4.98 113.70 112.50 1xl6 s SER 205 Ca -0.00 -1.50 0.08 0.00 0.70 0.00 0.00 55.95 55.22 1xl6 s SER 205 Cb -0.15 -1.43 0.91 0.00 -1.71 0.00 0.00 66.02 63.64 1xl6 s SER 205 CO -0.00 -0.25 1.63 -0.65 1.20 0.00 0.00 173.24 175.17 1xl6 h PRO 206 N 7.80 0.19 -2.75 5.44 0.11 -1.94 -1.06 132.00 139.78 1xl6 h PRO 206 Ca -0.15 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.47 1xl6 h PRO 206 Cb 1.04 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 31.72 1xl6 h PRO 206 CO 0.46 0.12 -0.75 0.42 -0.21 0.00 0.00 178.00 178.04 1xl6 s ILE 207 N -5.81 -0.13 -0.39 4.15 1.01 -1.26 -1.50 121.20 117.27 1xl6 s ILE 207 Ca -0.11 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1xl6 s ILE 207 Cb 0.29 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.89 1xl6 s ILE 207 CO 0.78 -0.57 0.72 0.12 0.00 0.00 0.00 174.94 175.99 1xl6 s PHE 208 N 2.15 3.09 0.00 3.97 5.36 0.27 -4.85 117.98 127.97 1xl6 s PHE 208 Ca 0.07 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 1xl6 s PHE 208 Cb -0.16 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 1xl6 s PHE 208 CO -0.29 -0.78 0.00 0.43 -1.46 0.00 0.00 175.22 173.12 1xl6 n SER 209 N 6.35 0.21 0.00 6.13 7.64 -1.26 -1.89 113.62 130.80 1xl6 n SER 209 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1xl6 n SER 209 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1xl6 n SER 209 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xl6 n LEU 210 N -2.91 0.00 -4.34 -3.43 4.77 -1.26 -4.47 117.00 105.36 1xl6 n LEU 210 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1xl6 n LEU 210 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1xl6 n LEU 210 CO 0.00 0.00 -0.48 -0.55 -1.33 0.00 0.00 177.39 175.03 1xl6 s SER 211 N 0.27 2.72 -0.18 -1.43 0.15 -1.26 -1.29 113.70 112.68 1xl6 s SER 211 Ca 0.00 -0.89 -0.05 0.00 0.70 0.00 0.00 55.95 55.71 1xl6 s SER 211 Cb 0.00 -0.16 0.09 0.00 -1.71 0.00 0.00 66.02 64.24 1xl6 s SER 211 CO 0.00 -0.04 0.34 0.86 1.20 0.00 0.00 173.24 175.60 1xl6 s TRP 212 N -2.17 -0.63 -0.37 3.44 -0.00 -0.17 -5.00 118.94 114.04 1xl6 s TRP 212 Ca 0.17 1.11 -0.15 0.00 -0.00 0.00 0.00 56.10 57.24 1xl6 s TRP 212 Cb -0.05 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.50 1xl6 s TRP 212 CO 0.07 -0.49 0.31 0.99 -0.00 0.00 0.00 176.95 177.83 1xl6 s THR 213 N 2.51 5.23 0.04 5.86 2.01 -1.26 -1.36 115.64 128.68 1xl6 s THR 213 Ca 0.03 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 1xl6 s THR 213 Cb -0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1xl6 s THR 213 CO -0.12 -0.18 0.90 -0.69 -0.69 0.00 0.00 174.62 173.84 1xl6 s VAL 214 N 1.82 4.73 -0.04 3.82 1.01 0.95 -4.92 120.40 127.77 1xl6 s VAL 214 Ca 0.08 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.00 1xl6 s VAL 214 Cb -0.18 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1xl6 s VAL 214 CO 0.11 0.27 -0.15 -0.04 0.00 0.00 0.00 175.10 175.29 1xl6 s MET 215 N 0.41 1.53 -0.34 2.72 -1.94 -1.26 -2.11 119.30 118.32 1xl6 s MET 215 Ca 0.46 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 1xl6 s MET 215 Cb -0.21 -1.35 0.09 0.00 2.01 0.00 0.00 34.83 35.37 1xl6 s MET 215 CO 0.27 0.20 0.06 -1.58 -0.01 0.00 0.00 175.02 173.95 1xl6 s HIS 216 N 0.11 3.61 -0.21 -0.03 2.46 0.31 -0.95 115.29 120.59 1xl6 s HIS 216 Ca -0.04 -2.68 -0.29 0.00 0.47 0.00 0.00 55.06 52.52 1xl6 s HIS 216 Cb -0.11 -2.78 -0.03 0.00 -0.13 0.00 0.00 32.58 29.54 1xl6 s HIS 216 CO 0.02 -0.93 1.62 -2.14 -2.47 0.00 0.00 174.74 170.84 1xl6 s PRO 217 N 1.01 3.83 -0.85 2.88 0.02 -1.26 -0.81 135.00 139.81 1xl6 s PRO 217 Ca 0.06 1.71 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 1xl6 s PRO 217 Cb -0.20 -4.03 0.02 0.00 0.02 0.00 0.00 34.50 30.31 1xl6 s PRO 217 CO -0.06 -1.26 1.51 0.42 -0.33 0.00 0.00 177.00 177.28 1xl6 s ILE 218 N 5.12 3.72 0.36 2.83 1.01 0.60 -4.80 121.20 130.04 1xl6 s ILE 218 Ca 0.72 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 61.28 1xl6 s ILE 218 Cb -0.26 -4.73 -0.06 0.00 0.01 0.00 0.00 42.46 37.42 1xl6 s ILE 218 CO 0.29 -1.65 -0.01 1.51 0.00 0.00 0.00 174.94 175.07 1xl6 s ASP 219 N 5.32 3.97 0.12 3.58 3.84 -1.26 -4.45 116.67 127.79 1xl6 s ASP 219 Ca 0.48 -1.16 0.01 0.00 -0.00 0.00 0.00 52.55 51.89 1xl6 s ASP 219 Cb -0.05 -0.43 0.07 0.00 -1.38 0.00 0.00 42.92 41.13 1xl6 s ASP 219 CO 0.04 -0.30 0.70 0.00 -0.00 0.00 0.00 175.17 175.61 1xl6 n HIS 220 N -0.92 0.05 0.78 2.11 1.44 -1.26 0.29 115.22 117.70 1xl6 n HIS 220 Ca -0.04 0.02 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1xl6 n HIS 220 Cb 0.64 -0.13 0.16 0.00 0.12 0.00 0.00 29.99 30.78 1xl6 n HIS 220 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xl6 n HIS 221 N -1.35 0.18 -3.30 -1.40 8.25 -1.26 -4.97 115.22 111.37 1xl6 n HIS 221 Ca -0.00 -0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.00 1xl6 n HIS 221 Cb 0.49 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 1xl6 n HIS 221 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xl6 s SER 222 N -1.82 6.94 0.00 0.41 0.15 0.86 -4.96 113.70 115.28 1xl6 s SER 222 Ca 0.32 1.19 0.11 0.00 0.70 0.00 0.00 55.95 58.27 1xl6 s SER 222 Cb 0.21 -2.33 0.58 0.00 -1.71 0.00 0.00 66.02 62.77 1xl6 s SER 222 CO 0.31 0.16 1.27 -2.65 1.20 0.00 0.00 173.24 173.53 1xl6 n PRO 223 N 1.14 0.16 -0.88 5.44 -0.02 -1.26 -2.38 135.00 137.20 1xl6 n PRO 223 Ca -0.07 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 1xl6 n PRO 223 Cb 0.51 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.61 1xl6 n PRO 223 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1xl6 n ILE 224 N -1.29 1.18 -2.23 4.25 -5.35 -1.26 -5.04 119.36 109.62 1xl6 n ILE 224 Ca 0.05 -2.06 -0.41 0.00 -0.27 0.00 0.00 62.75 60.06 1xl6 n ILE 224 Cb 0.09 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 1xl6 n ILE 224 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1xl6 s TYR 225 N -1.74 3.24 -1.51 4.28 5.04 -1.00 -2.84 117.35 122.82 1xl6 s TYR 225 Ca 0.33 1.40 -0.13 0.00 -2.44 0.00 0.00 57.07 56.24 1xl6 s TYR 225 Cb 0.34 -3.57 0.08 0.00 0.35 0.00 0.00 41.96 39.16 1xl6 s TYR 225 CO -0.09 -1.59 0.98 0.41 -1.34 0.00 0.00 175.55 173.92 1xl6 n GLY 226 N 1.46 -0.49 3.48 8.97 0.00 -1.26 -4.97 105.19 112.39 1xl6 n GLY 226 Ca 0.02 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1xl6 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xl6 s GLU 227 N -6.56 1.96 0.25 1.61 0.41 -1.13 -5.09 118.70 110.15 1xl6 s GLU 227 Ca 0.62 -1.07 0.08 0.00 -0.41 0.00 0.00 54.97 54.19 1xl6 s GLU 227 Cb -0.31 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.82 1xl6 s GLU 227 CO 0.82 0.51 -0.12 0.95 -0.49 0.00 0.00 175.26 176.94 1xl6 s THR 228 N -1.05 1.84 0.31 3.63 -4.23 -1.26 -4.97 115.64 109.92 1xl6 s THR 228 Ca 0.17 -2.21 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1xl6 s THR 228 Cb -0.11 -2.28 0.32 0.00 1.34 0.00 0.00 72.50 71.78 1xl6 s THR 228 CO 0.08 -0.42 1.65 -0.78 -0.54 0.00 0.00 174.62 174.61 1xl6 h ASP 229 N 2.37 0.21 0.81 3.99 1.82 -1.98 0.26 116.42 123.90 1xl6 h ASP 229 Ca -0.39 0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.41 1xl6 h ASP 229 Cb 1.23 0.22 0.01 0.00 0.68 0.00 0.00 39.33 41.47 1xl6 h ASP 229 CO 0.64 -0.16 -0.39 -0.08 -1.61 0.00 0.00 179.24 177.64 1xl6 h GLU 230 N 0.25 -1.05 -0.94 0.28 4.81 -1.99 -0.56 114.58 115.37 1xl6 h GLU 230 Ca 0.64 0.07 0.13 0.00 -0.13 0.00 0.00 59.36 60.08 1xl6 h GLU 230 Cb 1.39 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 30.92 1xl6 h GLU 230 CO -0.65 -0.69 0.56 1.79 -0.73 0.00 0.00 179.01 179.29 1xl6 h THR 231 N -1.25 0.84 -0.09 0.32 1.35 -1.57 0.01 112.91 112.51 1xl6 h THR 231 Ca -0.11 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1xl6 h THR 231 Cb 0.85 -0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1xl6 h THR 231 CO 0.18 0.15 0.05 -0.07 -0.25 0.00 0.00 175.52 175.59 1xl6 h LEU 232 N 0.84 0.11 -0.95 3.87 3.38 -0.46 -2.47 115.31 119.64 1xl6 h LEU 232 Ca 0.49 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.43 1xl6 h LEU 232 Cb 0.58 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1xl6 h LEU 232 CO -0.30 0.14 0.62 0.03 0.09 0.00 0.00 178.44 179.02 1xl6 h ARG 233 N 0.07 1.19 -0.37 1.13 3.08 -0.01 -0.89 114.38 118.57 1xl6 h ARG 233 Ca 0.03 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1xl6 h ARG 233 Cb 0.05 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 1xl6 h ARG 233 CO -0.01 0.79 0.01 -0.91 -1.07 0.00 0.00 179.97 178.78 1xl6 h ASN 234 N 1.22 -0.12 0.00 7.04 2.35 -0.73 0.16 115.58 125.50 1xl6 h ASN 234 Ca 0.37 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1xl6 h ASN 234 Cb -0.04 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1xl6 h ASN 234 CO -0.11 -0.02 0.00 -1.54 -1.65 0.00 0.00 177.43 174.11 1xl6 n SER 235 N -5.17 0.00 -3.73 5.81 3.41 -0.96 -4.86 113.62 108.12 1xl6 n SER 235 Ca 0.02 -1.06 -0.25 0.00 -0.26 0.00 0.00 58.87 57.32 1xl6 n SER 235 Cb 0.19 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1xl6 n SER 235 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xl6 n HIS 236 N -0.89 -2.29 -1.94 7.33 -0.00 0.56 -2.14 115.22 115.84 1xl6 n HIS 236 Ca 0.17 0.91 -0.41 0.00 0.46 0.00 0.00 57.72 58.85 1xl6 n HIS 236 Cb 0.08 -4.44 -0.01 0.00 -0.12 0.00 0.00 29.99 25.49 1xl6 n HIS 236 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xl6 s SER 237 N -3.76 6.54 0.05 0.26 0.01 -0.39 -4.73 113.70 111.68 1xl6 s SER 237 Ca 0.37 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.52 1xl6 s SER 237 Cb -0.18 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.36 1xl6 s SER 237 CO 0.79 -0.72 -0.04 -1.61 0.41 0.00 0.00 173.24 172.07 1xl6 s GLU 238 N -1.94 0.58 -0.08 12.44 2.02 -0.59 -3.70 118.70 127.43 1xl6 s GLU 238 Ca 0.51 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1xl6 s GLU 238 Cb -0.43 0.03 0.01 0.00 0.10 0.00 0.00 34.13 33.83 1xl6 s GLU 238 CO 0.58 -0.05 -0.14 -0.06 0.02 0.00 0.00 175.26 175.61 1xl6 s PHE 239 N -2.95 1.74 -0.09 1.61 0.40 -0.58 -0.70 117.98 117.43 1xl6 s PHE 239 Ca 0.01 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1xl6 s PHE 239 Cb 0.01 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 1xl6 s PHE 239 CO -0.05 -0.36 -0.00 -1.17 0.70 0.00 0.00 175.22 174.34 1xl6 s LEU 240 N 0.75 3.57 -0.14 -0.37 2.96 0.43 -0.05 118.68 125.83 1xl6 s LEU 240 Ca -0.12 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1xl6 s LEU 240 Cb -0.16 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1xl6 s LEU 240 CO 0.03 0.37 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.67 1xl6 s VAL 241 N -0.85 1.05 -0.09 1.68 1.01 -0.25 -0.47 120.40 122.47 1xl6 s VAL 241 Ca 0.13 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xl6 s VAL 241 Cb -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1xl6 s VAL 241 CO 0.02 0.26 -0.11 -0.22 0.00 0.00 0.00 175.10 175.05 1xl6 s LEU 242 N 1.68 2.88 0.00 3.92 2.96 -0.37 -1.64 118.68 128.12 1xl6 s LEU 242 Ca 0.03 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 1xl6 s LEU 242 Cb -0.14 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1xl6 s LEU 242 CO -0.08 0.27 -0.22 0.12 -1.32 0.00 0.00 176.35 175.13 1xl6 s PHE 243 N -0.28 1.91 0.01 5.38 5.36 0.19 -0.58 117.98 129.97 1xl6 s PHE 243 Ca 0.03 -0.37 -0.13 0.00 -0.96 0.00 0.00 56.93 55.50 1xl6 s PHE 243 Cb -0.13 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1xl6 s PHE 243 CO 0.03 0.01 0.28 0.95 -1.46 0.00 0.00 175.22 175.03 1xl6 s THR 244 N -0.60 0.07 -0.12 0.12 -4.23 -0.64 -1.36 115.64 108.88 1xl6 s THR 244 Ca 0.08 -0.60 -0.33 0.00 -1.18 0.00 0.00 61.69 59.66 1xl6 s THR 244 Cb -0.08 -0.72 0.13 0.00 1.34 0.00 0.00 72.50 73.17 1xl6 s THR 244 CO 0.00 -0.33 1.23 -0.83 -0.54 0.00 0.00 174.62 174.15 1xl6 s GLY 245 N -1.61 -0.34 -0.41 3.99 0.00 -0.66 -0.53 107.32 107.76 1xl6 s GLY 245 Ca -0.10 1.24 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 1xl6 s GLY 245 CO 0.01 0.37 0.54 -1.58 0.00 0.00 0.00 173.10 172.44 1xl6 s HIS 246 N -2.44 3.13 0.33 1.90 5.65 0.14 0.10 115.29 124.10 1xl6 s HIS 246 Ca 0.11 -0.11 -0.27 0.00 0.25 0.00 0.00 55.06 55.04 1xl6 s HIS 246 Cb 0.01 -3.09 -0.09 0.00 -1.18 0.00 0.00 32.58 28.23 1xl6 s HIS 246 CO -0.04 -0.73 1.01 -1.58 -0.65 0.00 0.00 174.74 172.75 1xl6 s HIS 247 N 2.48 3.57 0.03 3.88 2.46 -0.33 0.92 115.29 128.30 1xl6 s HIS 247 Ca 0.18 1.74 0.10 0.00 0.47 0.00 0.00 55.06 57.55 1xl6 s HIS 247 Cb -0.15 -3.07 -0.22 0.00 -0.13 0.00 0.00 32.58 29.00 1xl6 s HIS 247 CO 0.16 -0.19 0.93 0.93 -2.47 0.00 0.00 174.74 174.10 1xl6 h GLU 248 N 3.23 0.00 0.36 2.88 5.08 -0.95 -2.92 114.58 122.27 1xl6 h GLU 248 Ca -0.47 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1xl6 h GLU 248 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1xl6 h GLU 248 CO 0.65 0.72 -0.41 0.00 -1.00 0.00 0.00 179.01 178.97 1xl6 h ALA 249 N 0.99 -1.05 -0.01 3.43 0.00 -1.90 -2.94 119.26 117.78 1xl6 h ALA 249 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xl6 h ALA 249 Cb 1.91 0.67 0.00 0.00 0.00 0.00 0.00 17.79 20.36 1xl6 h ALA 249 CO 0.10 -1.09 -0.25 1.19 0.00 0.00 0.00 179.25 179.20 1xl6 n PHE 250 N -4.88 0.00 -3.70 0.00 3.01 -1.26 -4.93 117.46 105.70 1xl6 n PHE 250 Ca -0.09 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.14 1xl6 n PHE 250 Cb 0.37 -0.16 0.04 0.00 -0.01 0.00 0.00 39.48 39.72 1xl6 n PHE 250 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xl6 n ALA 251 N -0.84 -1.81 -3.00 4.37 0.00 -1.11 -4.97 120.51 113.15 1xl6 n ALA 251 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1xl6 n ALA 251 Cb 0.33 -2.79 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 1xl6 n ALA 251 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xl6 s GLN 252 N -6.05 1.78 0.51 0.00 -0.21 -1.19 -5.01 119.66 109.49 1xl6 s GLN 252 Ca 0.18 -1.57 -0.15 0.00 0.02 0.00 0.00 55.36 53.84 1xl6 s GLN 252 Cb -0.09 0.45 -0.07 0.00 1.00 0.00 0.00 33.01 34.30 1xl6 s GLN 252 CO 0.80 -0.74 0.95 -0.80 -2.12 0.00 0.00 175.29 173.38 1xl6 s ASN 253 N -3.15 6.55 0.01 5.90 0.01 -1.26 -1.19 114.94 121.80 1xl6 s ASN 253 Ca 0.28 1.47 0.01 0.00 -0.71 0.00 0.00 52.86 53.90 1xl6 s ASN 253 Cb -0.00 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1xl6 s ASN 253 CO 0.16 -0.59 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.43 1xl6 s VAL 254 N -2.66 0.20 0.06 1.60 1.01 0.11 -4.79 120.40 115.93 1xl6 s VAL 254 Ca 0.57 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1xl6 s VAL 254 Cb -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1xl6 s VAL 254 CO 0.35 -0.08 -0.11 -1.00 0.00 0.00 0.00 175.10 174.25 1xl6 s HIS 255 N -0.42 0.99 -0.26 5.22 3.76 -1.26 -1.65 115.29 121.67 1xl6 s HIS 255 Ca -0.03 -0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 54.20 1xl6 s HIS 255 Cb -0.03 -0.57 0.07 0.00 1.11 0.00 0.00 32.58 33.16 1xl6 s HIS 255 CO -0.00 -0.00 0.68 0.00 -0.85 0.00 0.00 174.74 174.57 1xl6 s ALA 256 N -1.27 -1.74 0.11 -1.40 0.00 -0.46 -4.10 121.76 112.90 1xl6 s ALA 256 Ca -0.05 2.06 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1xl6 s ALA 256 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1xl6 s ALA 256 CO 0.01 -0.34 -0.01 -0.98 0.00 0.00 0.00 175.76 174.45 1xl6 s ARG 257 N 0.72 0.85 0.02 0.00 1.70 -1.26 0.56 118.95 121.54 1xl6 s ARG 257 Ca -0.03 -1.37 -0.28 0.00 -0.47 0.00 0.00 55.73 53.58 1xl6 s ARG 257 Cb -0.05 0.03 0.07 0.00 -0.57 0.00 0.00 34.95 34.44 1xl6 s ARG 257 CO -0.05 -0.14 0.67 -1.58 -1.08 0.00 0.00 175.30 173.13 1xl6 s HIS 258 N -3.84 -0.59 0.07 5.89 2.46 -0.65 -4.48 115.29 114.14 1xl6 s HIS 258 Ca 0.16 0.80 0.06 0.00 0.47 0.00 0.00 55.06 56.55 1xl6 s HIS 258 Cb 0.07 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.96 1xl6 s HIS 258 CO -0.03 -0.68 -0.15 0.00 -2.47 0.00 0.00 174.74 171.41 1xl6 s ALA 259 N -2.14 1.28 0.15 1.58 0.00 0.19 -1.10 121.76 121.73 1xl6 s ALA 259 Ca -0.06 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1xl6 s ALA 259 Cb -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1xl6 s ALA 259 CO 0.01 0.21 -0.23 0.71 0.00 0.00 0.00 175.76 176.46 1xl6 s TYR 260 N -1.18 2.07 0.41 0.00 1.51 0.93 -4.49 117.35 116.60 1xl6 s TYR 260 Ca 0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1xl6 s TYR 260 Cb -0.10 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1xl6 s TYR 260 CO 0.02 0.36 0.38 0.45 -1.11 0.00 0.00 175.55 175.65 1xl6 s SER 261 N -2.37 5.10 0.23 2.29 0.15 -1.26 -1.52 113.70 116.32 1xl6 s SER 261 Ca 0.15 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 1xl6 s SER 261 Cb -0.08 -0.62 0.27 0.00 -1.71 0.00 0.00 66.02 63.88 1xl6 s SER 261 CO 0.07 -0.62 1.88 0.00 1.20 0.00 0.00 173.24 175.76 1xl6 n ASP 263 N -4.55 0.43 -0.48 0.00 5.68 -1.26 -2.64 116.55 113.73 1xl6 n ASP 263 Ca 0.11 -1.97 0.05 0.00 -0.50 0.00 0.00 54.79 52.48 1xl6 n ASP 263 Cb 0.10 -0.21 0.13 0.00 -1.14 0.00 0.00 41.12 40.00 1xl6 n ASP 263 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xl6 n GLU 264 N -0.28 2.78 -3.67 0.11 1.02 -0.73 -4.91 120.64 114.97 1xl6 n GLU 264 Ca 0.00 -2.10 -0.39 0.00 -0.02 0.00 0.00 57.16 54.65 1xl6 n GLU 264 Cb 0.11 -1.32 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1xl6 n GLU 264 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl6 s ILE 265 N -1.48 4.30 -0.62 -3.67 1.01 -1.08 -0.58 121.20 119.07 1xl6 s ILE 265 Ca 0.21 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 1xl6 s ILE 265 Cb 0.14 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 39.32 1xl6 s ILE 265 CO 0.09 -0.13 0.97 -0.63 0.00 0.00 0.00 174.94 175.25 1xl6 s ILE 266 N 1.52 4.32 0.01 2.92 -1.09 -0.19 -4.93 121.20 123.75 1xl6 s ILE 266 Ca 0.02 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 1xl6 s ILE 266 Cb -0.19 -4.64 -0.05 0.00 -1.58 0.00 0.00 42.46 36.00 1xl6 s ILE 266 CO 0.05 -1.35 1.36 0.26 -1.23 0.00 0.00 174.94 174.03 1xl6 s TRP 267 N 4.11 2.96 0.00 3.97 0.52 -1.26 -2.13 118.94 127.11 1xl6 s TRP 267 Ca 0.26 0.91 0.00 0.00 0.02 0.00 0.00 56.10 57.29 1xl6 s TRP 267 Cb -0.15 -3.62 0.00 0.00 -1.15 0.00 0.00 33.47 28.55 1xl6 s TRP 267 CO 0.14 -2.23 0.00 0.41 0.02 0.00 0.00 176.95 175.29 1xl6 n GLY 268 N 3.57 0.56 3.64 0.98 0.00 -0.43 -4.93 105.19 108.57 1xl6 n GLY 268 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1xl6 n GLY 268 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xl6 s GLY 269 N -1.85 1.59 -0.15 -0.02 0.00 -0.90 -4.74 107.32 101.25 1xl6 s GLY 269 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.56 1xl6 s GLY 269 CO 0.00 0.48 0.32 0.30 0.00 0.00 0.00 173.10 174.20 1xl6 s HIS 270 N -2.78 -0.54 0.58 1.90 3.76 -0.76 -4.46 115.29 112.99 1xl6 s HIS 270 Ca 0.66 1.14 -0.19 0.00 -0.15 0.00 0.00 55.06 56.52 1xl6 s HIS 270 Cb -0.21 0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1xl6 s HIS 270 CO 0.59 -0.38 1.23 -0.06 -0.85 0.00 0.00 174.74 175.27 1xl6 s PHE 271 N 2.27 2.40 0.16 1.40 0.40 -1.26 -0.13 117.98 123.21 1xl6 s PHE 271 Ca -0.02 1.50 -0.12 0.00 -0.60 0.00 0.00 56.93 57.69 1xl6 s PHE 271 Cb -0.12 -3.53 -0.07 0.00 0.51 0.00 0.00 43.02 39.82 1xl6 s PHE 271 CO -0.10 -2.29 0.52 0.14 0.70 0.00 0.00 175.22 174.19 1xl6 s VAL 272 N -1.54 4.92 0.05 -0.44 -7.23 -0.85 -4.77 120.40 110.55 1xl6 s VAL 272 Ca 0.76 0.65 -0.34 0.00 -1.81 0.00 0.00 61.98 61.23 1xl6 s VAL 272 Cb -0.32 -3.68 -0.13 0.00 0.56 0.00 0.00 36.38 32.80 1xl6 s VAL 272 CO 0.35 0.15 1.66 -0.67 -0.31 0.00 0.00 175.10 176.29 1xl6 n ASP 273 N 0.52 3.05 0.03 4.85 2.03 -1.26 -4.87 116.55 120.89 1xl6 n ASP 273 Ca -0.04 1.05 0.11 0.00 0.52 0.00 0.00 54.79 56.43 1xl6 n ASP 273 Cb 0.52 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 39.46 1xl6 n ASP 273 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1xl6 n VAL 274 N 3.95 0.19 -1.92 5.18 0.24 -1.26 -4.51 118.33 120.20 1xl6 n VAL 274 Ca 0.19 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1xl6 n VAL 274 Cb 0.27 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1xl6 n VAL 274 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1xl6 n PHE 275 N -2.27 3.58 -2.66 6.34 3.01 -1.26 -0.64 117.46 123.56 1xl6 n PHE 275 Ca -0.01 -2.94 -0.42 0.00 1.01 0.00 0.00 57.45 55.08 1xl6 n PHE 275 Cb 0.53 -2.47 -0.03 0.00 -0.01 0.00 0.00 39.48 37.50 1xl6 n PHE 275 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1xl6 s THR 276 N 2.86 4.05 -0.78 4.37 -4.23 -1.19 -4.92 115.64 115.79 1xl6 s THR 276 Ca 0.46 -0.48 -0.26 0.00 -1.18 0.00 0.00 61.69 60.24 1xl6 s THR 276 Cb 0.12 -4.92 0.03 0.00 1.34 0.00 0.00 72.50 69.08 1xl6 s THR 276 CO -0.06 -1.77 1.30 -0.89 -0.54 0.00 0.00 174.62 172.66 1xl6 s THR 277 N 4.70 3.77 -0.74 3.99 2.01 -1.26 -3.84 115.64 124.27 1xl6 s THR 277 Ca 0.37 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1xl6 s THR 277 Cb -0.06 -4.94 0.19 0.00 0.01 0.00 0.00 72.50 67.71 1xl6 s THR 277 CO 0.01 -1.86 0.61 -0.76 -0.69 0.00 0.00 174.62 171.93 1xl6 s LEU 278 N 5.57 5.83 0.27 4.42 1.43 -1.25 -4.93 118.68 130.01 1xl6 s LEU 278 Ca 0.36 -2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 50.24 1xl6 s LEU 278 Cb -0.07 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 1xl6 s LEU 278 CO 0.11 -0.41 1.35 -2.84 0.23 0.00 0.00 176.35 174.78 1xl6 s PRO 279 N -0.18 4.34 0.00 1.29 0.02 -1.25 -4.07 135.00 135.15 1xl6 s PRO 279 Ca 0.19 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1xl6 s PRO 279 Cb -0.15 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1xl6 s PRO 279 CO -0.06 -0.27 0.00 -0.40 -0.33 0.00 0.00 177.00 175.94 1xl6 n ASP 280 N 1.79 0.00 0.00 2.53 5.68 -1.26 -4.88 116.55 120.41 1xl6 n ASP 280 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1xl6 n ASP 280 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1xl6 n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xl6 n GLY 281 N 0.00 -0.03 0.00 6.12 0.00 -1.26 -5.18 105.19 104.84 1xl6 n GLY 281 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xl6 n GLY 281 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xl6 n ARG 282 N -1.33 -1.74 -3.15 1.61 1.85 -1.26 -5.14 116.66 107.50 1xl6 n ARG 282 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1xl6 n ARG 282 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1xl6 n ARG 282 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1xl6 s ARG 283 N -2.00 4.37 0.23 2.89 3.52 -1.26 -3.89 118.95 122.81 1xl6 s ARG 283 Ca 0.00 0.76 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 1xl6 s ARG 283 Cb 0.00 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1xl6 s ARG 283 CO 0.00 0.23 0.12 0.00 -0.81 0.00 0.00 175.30 174.83 1xl6 n ALA 284 N 3.23 0.37 -3.42 6.12 0.00 -1.25 -4.98 120.51 120.58 1xl6 n ALA 284 Ca -0.05 -1.20 -0.20 0.00 0.00 0.00 0.00 53.44 51.99 1xl6 n ALA 284 Cb 0.51 0.87 -0.16 0.00 0.00 0.00 0.00 19.45 20.67 1xl6 n ALA 284 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xl6 s LEU 285 N 0.00 1.52 -0.27 0.00 2.96 -1.26 -3.20 118.68 118.43 1xl6 s LEU 285 Ca 0.16 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1xl6 s LEU 285 Cb 0.01 -0.50 0.07 0.00 0.50 0.00 0.00 46.19 46.26 1xl6 s LEU 285 CO 0.12 -0.01 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.43 1xl6 s ASP 286 N 0.64 4.46 0.00 3.68 -1.08 0.19 -4.94 116.67 119.63 1xl6 s ASP 286 Ca -0.09 -1.50 0.20 0.00 -0.52 0.00 0.00 52.55 50.64 1xl6 s ASP 286 Cb -0.13 -1.54 0.97 0.00 -1.46 0.00 0.00 42.92 40.77 1xl6 s ASP 286 CO 0.01 -0.22 1.66 0.18 0.52 0.00 0.00 175.17 177.31 1xl6 n LEU 287 N 4.42 0.81 0.18 -1.34 4.77 -1.26 -3.21 117.00 121.37 1xl6 n LEU 287 Ca -0.11 -0.33 0.06 0.00 -0.03 0.00 0.00 56.01 55.59 1xl6 n LEU 287 Cb 0.42 -0.05 0.28 0.00 -2.33 0.00 0.00 43.42 41.75 1xl6 n LEU 287 CO 0.21 0.17 0.65 1.23 -1.33 0.00 0.00 177.39 178.32 1xl6 h GLY 288 N 5.20 0.00 -1.43 -0.72 0.00 -1.96 -2.88 103.07 101.28 1xl6 h GLY 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xl6 h GLY 288 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1xl6 n LYS 289 N -3.42 2.10 -0.34 4.80 5.02 -1.20 -4.62 118.16 120.51 1xl6 n LYS 289 Ca 0.00 -1.60 0.16 0.00 -2.02 0.00 0.00 58.31 54.86 1xl6 n LYS 289 Cb 0.55 -1.47 0.37 0.00 -0.02 0.00 0.00 35.03 34.46 1xl6 n LYS 289 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1xl6 h PHE 290 N 3.84 0.98 -0.57 2.13 3.57 -1.65 -0.32 116.94 124.93 1xl6 h PHE 290 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xl6 h PHE 290 Cb 0.82 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1xl6 h PHE 290 CO 0.01 0.07 0.00 0.72 -2.23 0.00 0.00 178.31 176.88 1xl6 n HIS 291 N -4.89 0.75 -2.54 0.41 8.25 -1.26 -4.88 115.22 111.06 1xl6 n HIS 291 Ca 0.26 -0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 1xl6 n HIS 291 Cb 0.71 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.79 1xl6 n HIS 291 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xl6 s GLU 292 N -1.25 4.45 -0.10 -0.41 2.02 -0.13 -4.90 118.70 118.39 1xl6 s GLU 292 Ca 0.40 1.61 0.01 0.00 0.02 0.00 0.00 54.97 57.01 1xl6 s GLU 292 Cb 0.21 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 31.02 1xl6 s GLU 292 CO 0.28 -0.24 -0.10 0.42 0.02 0.00 0.00 175.26 175.64 1xl6 s ILE 293 N 1.39 1.10 0.33 -1.63 1.01 -1.26 -2.00 121.20 120.14 1xl6 s ILE 293 Ca 0.55 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1xl6 s ILE 293 Cb -0.25 -1.07 -0.10 0.00 0.01 0.00 0.00 42.46 41.06 1xl6 s ILE 293 CO 0.26 0.37 0.91 0.00 0.00 0.00 0.00 174.94 176.48 1xl6 s ALA 294 N 1.31 3.21 0.03 9.38 0.00 0.81 -4.82 121.76 131.68 1xl6 s ALA 294 Ca -0.02 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 1xl6 s ALA 294 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1xl6 s ALA 294 CO -0.04 0.19 0.23 -0.65 0.00 0.00 0.00 175.76 175.49 1xl6 s GLN 295 N -2.30 0.70 -0.23 0.00 -0.21 -1.26 -1.83 119.66 114.52 1xl6 s GLN 295 Ca 0.52 -0.54 -0.09 0.00 0.02 0.00 0.00 55.36 55.27 1xl6 s GLN 295 Cb -0.16 0.30 -0.04 0.00 1.00 0.00 0.00 33.01 34.11 1xl6 s GLN 295 CO 0.21 -0.21 0.11 -1.58 -2.12 0.00 0.00 175.29 171.70 1xl6 s HIS 296 N -2.36 3.19 -0.01 0.91 5.65 -1.26 -5.09 115.29 116.33 1xl6 s HIS 296 Ca -0.07 -0.07 -0.07 0.00 0.25 0.00 0.00 55.06 55.11 1xl6 s HIS 296 Cb -0.02 -2.22 -0.05 0.00 -1.18 0.00 0.00 32.58 29.11 1xl6 s HIS 296 CO -0.03 -0.10 0.25 -1.01 -0.65 0.00 0.00 174.74 173.21 1xl6 s HIS 297 N 1.19 3.59 -0.22 3.88 0.09 -1.26 -5.08 115.29 117.47 1xl6 s HIS 297 Ca 0.06 0.57 -0.09 0.00 -0.00 0.00 0.00 55.06 55.60 1xl6 s HIS 297 Cb -0.14 -1.99 -0.04 0.00 -0.00 0.00 0.00 32.58 30.41 1xl6 s HIS 297 CO 0.04 0.63 0.11 -1.01 -0.00 0.00 0.00 174.74 174.52 1xl6 s HIS 298 N -1.26 3.26 -0.46 1.40 3.76 -1.26 -5.01 115.29 115.72 1xl6 s HIS 298 Ca 0.26 0.07 -0.28 0.00 -0.15 0.00 0.00 55.06 54.96 1xl6 s HIS 298 Cb -0.13 -2.20 -0.14 0.00 1.11 0.00 0.00 32.58 31.22 1xl6 s HIS 298 CO 0.15 0.03 1.62 0.72 -0.85 0.00 0.00 174.74 176.42 1xl6 n HIS 299 N 4.12 0.69 -1.27 1.40 8.25 -1.26 -4.94 115.22 122.21 1xl6 n HIS 299 Ca -0.16 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 1xl6 n HIS 299 Cb 0.52 -1.63 0.20 0.00 1.12 0.00 0.00 29.99 30.19 1xl6 n HIS 299 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xl6 s HIS 300 N 4.86 1.48 0.00 4.41 3.76 -1.26 -5.37 115.29 123.17 1xl6 s HIS 300 Ca 0.88 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1xl6 s HIS 300 Cb -1.01 -3.45 0.00 0.00 1.11 0.00 0.00 32.58 29.24 1xl6 s HIS 300 CO 0.43 -3.19 0.24 0.72 -0.85 0.00 0.00 174.74 172.09