#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0k s ASP 2 N 0.00 2.96 -0.23 0.00 1.01 -1.26 -5.00 116.67 114.15 3a0k s ASP 2 Ca 0.00 2.05 -0.05 0.00 0.71 0.00 0.00 52.55 55.26 3a0k s ASP 2 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3a0k s ASP 2 CO 0.00 -3.06 -0.01 -0.89 0.21 0.00 0.00 175.17 171.43 3a0k s THR 3 N -2.68 3.69 -0.04 -1.27 2.01 -1.26 -5.02 115.64 111.07 3a0k s THR 3 Ca 0.66 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.33 3a0k s THR 3 Cb -0.22 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 3a0k s THR 3 CO 0.58 0.40 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.07 3a0k s ILE 4 N 1.46 1.73 -0.02 1.82 -1.09 -1.26 -2.72 121.20 121.12 3a0k s ILE 4 Ca 0.05 -0.90 0.04 0.00 -2.23 0.00 0.00 60.65 57.62 3a0k s ILE 4 Cb -0.15 -1.46 -0.00 0.00 -1.58 0.00 0.00 42.46 39.27 3a0k s ILE 4 CO -0.01 0.49 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.37 3a0k s VAL 5 N -0.16 1.09 0.11 2.92 1.01 -0.29 0.51 120.40 125.59 3a0k s VAL 5 Ca -0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3a0k s VAL 5 Cb -0.12 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3a0k s VAL 5 CO 0.02 0.32 0.42 0.00 0.00 0.00 0.00 175.10 175.86 3a0k s ALA 6 N -0.06 -1.00 -0.25 5.51 0.00 0.51 0.00 121.76 126.47 3a0k s ALA 6 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 3a0k s ALA 6 Cb -0.08 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.69 3a0k s ALA 6 CO 0.01 -0.62 -0.02 0.08 0.00 0.00 0.00 175.76 175.21 3a0k s VAL 7 N -3.54 3.27 -0.02 0.00 1.01 0.13 0.31 120.40 121.56 3a0k s VAL 7 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3a0k s VAL 7 Cb 0.01 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3a0k s VAL 7 CO -0.10 0.23 0.21 -1.83 0.00 0.00 0.00 175.10 173.61 3a0k s GLU 8 N 1.41 3.50 -0.38 2.72 -1.05 0.75 -1.80 118.70 123.84 3a0k s GLU 8 Ca 0.02 -0.19 -0.01 0.00 -0.15 0.00 0.00 54.97 54.65 3a0k s GLU 8 Cb -0.16 -3.11 0.10 0.00 -0.44 0.00 0.00 34.13 30.52 3a0k s GLU 8 CO -0.03 0.68 0.15 -0.51 0.95 0.00 0.00 175.26 176.50 3a0k s LEU 9 N -1.70 5.01 -0.38 1.83 1.02 0.20 -0.99 118.68 123.67 3a0k s LEU 9 Ca 0.25 -2.00 -0.06 0.00 0.02 0.00 0.00 54.13 52.34 3a0k s LEU 9 Cb -0.13 -1.77 0.07 0.00 0.02 0.00 0.00 46.19 44.39 3a0k s LEU 9 CO 0.15 -0.48 0.17 -0.62 0.02 0.00 0.00 176.35 175.59 3a0k s ASP 10 N 1.54 5.34 0.40 2.29 -1.08 0.08 -1.14 116.67 124.10 3a0k s ASP 10 Ca 0.08 -1.53 0.26 0.00 -0.52 0.00 0.00 52.55 50.84 3a0k s ASP 10 Cb -0.22 -1.87 0.70 0.00 -1.46 0.00 0.00 42.92 40.07 3a0k s ASP 10 CO -0.05 -0.45 1.73 0.77 0.52 0.00 0.00 175.17 177.69 3a0k h SER 11 N 8.20 0.00 -3.17 -0.34 4.64 -1.40 0.38 113.55 121.85 3a0k h SER 11 Ca -0.20 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.58 3a0k h SER 11 Cb 1.07 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.79 3a0k h SER 11 CO 0.67 0.00 -0.81 -0.47 -0.87 0.00 0.00 176.83 175.35 3a0k s TYR 12 N -3.29 1.59 -0.30 4.77 5.04 -1.16 -4.26 117.35 119.73 3a0k s TYR 12 Ca 0.06 -0.82 -0.29 0.00 -2.44 0.00 0.00 57.07 53.58 3a0k s TYR 12 Cb 0.08 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 41.10 3a0k s TYR 12 CO 0.61 -0.54 1.22 -2.14 -1.34 0.00 0.00 175.55 173.35 3a0k s PRO 13 N 1.67 3.98 -0.88 4.97 0.02 -1.26 -4.93 135.00 138.57 3a0k s PRO 13 Ca 0.05 1.19 -0.07 0.00 0.02 0.00 0.00 61.00 62.19 3a0k s PRO 13 Cb -0.13 -3.83 0.22 0.00 0.02 0.00 0.00 34.50 30.79 3a0k s PRO 13 CO -0.09 -1.03 0.80 -0.80 -0.33 0.00 0.00 177.00 175.55 3a0k s ASN 14 N 2.34 6.40 0.20 2.53 -0.87 -1.26 -4.88 114.94 119.40 3a0k s ASN 14 Ca 0.52 -3.26 0.23 0.00 -1.57 0.00 0.00 52.86 48.78 3a0k s ASN 14 Cb -0.15 -2.06 0.91 0.00 -0.02 0.00 0.00 41.25 39.93 3a0k s ASN 14 CO 0.20 -0.35 1.70 0.35 -2.57 0.00 0.00 177.10 176.44 3a0k n THR 15 N 3.07 0.76 0.22 1.60 -2.24 -1.26 -1.05 114.28 115.38 3a0k n THR 15 Ca 0.17 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 3a0k n THR 15 Cb 0.40 -0.99 0.47 0.00 -2.10 0.00 0.00 70.33 68.11 3a0k n THR 15 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3a0k h ASP 16 N 0.00 0.00 -0.76 3.42 -0.00 -1.90 -1.91 116.42 115.28 3a0k h ASP 16 Ca 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.56 3a0k h ASP 16 Cb 0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 39.33 39.49 3a0k h ASP 16 CO 0.00 0.24 0.24 2.30 -0.00 0.00 0.00 179.24 182.01 3a0k n ILE 17 N -3.44 3.02 -0.87 4.15 -5.35 -0.22 -4.92 119.36 111.73 3a0k n ILE 17 Ca -0.00 -2.88 0.00 0.00 -0.27 0.00 0.00 62.75 59.60 3a0k n ILE 17 Cb 0.42 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 3a0k n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a0k n GLY 18 N -1.00 0.76 3.76 3.28 0.00 -0.72 -4.57 105.19 106.70 3a0k n GLY 18 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 3a0k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a0k s ASP 19 N -2.54 5.51 1.03 1.61 1.01 -0.97 -4.88 116.67 117.44 3a0k s ASP 19 Ca 0.00 2.80 -0.12 0.00 0.71 0.00 0.00 52.55 55.94 3a0k s ASP 19 Cb 0.00 -2.64 0.21 0.00 1.01 0.00 0.00 42.92 41.49 3a0k s ASP 19 CO 0.00 -1.41 1.07 -2.16 0.21 0.00 0.00 175.17 172.88 3a0k s PRO 20 N -2.74 0.18 -0.32 8.23 0.04 -1.26 -4.22 135.00 134.91 3a0k s PRO 20 Ca 0.68 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 3a0k s PRO 20 Cb -0.41 -1.68 0.25 0.00 0.04 0.00 0.00 34.50 32.69 3a0k s PRO 20 CO 0.50 -2.98 1.92 -1.13 0.04 0.00 0.00 177.00 175.35 3a0k n SER 21 N -4.40 5.96 -3.73 6.66 3.41 -1.26 -4.57 113.62 115.70 3a0k n SER 21 Ca 0.06 -3.05 -0.10 0.00 -0.26 0.00 0.00 58.87 55.52 3a0k n SER 21 Cb 0.55 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 3a0k n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3a0k s TYR 22 N -1.88 -0.14 0.49 7.33 -0.85 -1.26 -4.96 117.35 116.09 3a0k s TYR 22 Ca 0.32 -0.20 -0.23 0.00 -0.52 0.00 0.00 57.07 56.44 3a0k s TYR 22 Cb 0.25 0.40 -0.08 0.00 0.38 0.00 0.00 41.96 42.92 3a0k s TYR 22 CO 0.01 -0.92 1.20 -2.30 -1.52 0.00 0.00 175.55 172.02 3a0k n PRO 23 N -0.34 1.60 -3.53 -3.49 -0.02 -1.26 -4.61 135.00 123.33 3a0k n PRO 23 Ca -0.10 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3a0k n PRO 23 Cb 0.62 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3a0k n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3a0k s HIS 24 N -1.29 -0.37 0.23 6.00 -3.43 0.12 -0.43 115.29 116.12 3a0k s HIS 24 Ca 0.67 0.11 0.07 0.00 -0.80 0.00 0.00 55.06 55.10 3a0k s HIS 24 Cb -0.47 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 3a0k s HIS 24 CO 0.53 -0.81 0.18 0.96 -2.00 0.00 0.00 174.74 173.61 3a0k s ILE 25 N -3.78 4.46 0.10 -5.38 -4.36 0.57 -0.74 121.20 112.06 3a0k s ILE 25 Ca 0.03 -1.32 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3a0k s ILE 25 Cb -0.00 -3.38 0.04 0.00 1.25 0.00 0.00 42.46 40.37 3a0k s ILE 25 CO -0.11 -0.29 0.44 -0.83 0.24 0.00 0.00 174.94 174.39 3a0k s GLY 26 N -3.65 -0.34 -0.25 6.27 0.00 -0.16 -0.69 107.32 108.50 3a0k s GLY 26 Ca 0.32 0.17 -0.06 0.00 0.00 0.00 0.00 44.72 45.15 3a0k s GLY 26 CO 0.25 -0.11 0.03 -0.42 0.00 0.00 0.00 173.10 172.85 3a0k s ILE 27 N -3.38 3.83 -0.22 0.90 -1.09 0.00 -0.18 121.20 121.07 3a0k s ILE 27 Ca 0.00 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.90 3a0k s ILE 27 Cb 0.01 -2.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 3a0k s ILE 27 CO -0.09 0.29 0.03 -1.81 -1.23 0.00 0.00 174.94 172.13 3a0k s ASP 28 N 1.52 4.97 -0.34 3.58 1.01 0.15 0.37 116.67 127.93 3a0k s ASP 28 Ca 0.05 -0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.16 3a0k s ASP 28 Cb -0.15 -1.87 0.10 0.00 1.01 0.00 0.00 42.92 42.01 3a0k s ASP 28 CO 0.01 0.04 0.05 -0.63 0.21 0.00 0.00 175.17 174.84 3a0k s ILE 29 N 1.18 2.31 -1.85 0.77 -1.09 -1.26 -0.36 121.20 120.90 3a0k s ILE 29 Ca 0.04 -2.33 0.00 0.00 -2.23 0.00 0.00 60.65 56.13 3a0k s ILE 29 Cb -0.14 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 3a0k s ILE 29 CO 0.02 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.43 3a0k n LYS 30 N 4.27 -1.44 -3.58 2.79 5.02 0.18 -4.90 118.16 120.50 3a0k n LYS 30 Ca 0.03 1.06 -0.12 0.00 -2.02 0.00 0.00 58.31 57.27 3a0k n LYS 30 Cb 0.42 -5.50 -0.06 0.00 -0.02 0.00 0.00 35.03 29.87 3a0k n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a0k s SER 31 N -2.46 -0.43 0.52 4.39 0.15 -1.26 -4.94 113.70 109.66 3a0k s SER 31 Ca 0.00 0.53 0.33 0.00 0.70 0.00 0.00 55.95 57.50 3a0k s SER 31 Cb 0.00 0.43 1.36 0.00 -1.71 0.00 0.00 66.02 66.10 3a0k s SER 31 CO 0.00 -0.36 1.96 -0.29 1.20 0.00 0.00 173.24 175.76 3a0k h ILE 32 N 2.78 0.00 -2.12 6.45 6.09 -1.84 -3.39 117.51 125.49 3a0k h ILE 32 Ca -0.21 -0.45 -0.58 0.00 -1.37 0.00 0.00 64.86 62.25 3a0k h ILE 32 Cb 1.16 1.41 -0.10 0.00 0.47 0.00 0.00 36.82 39.76 3a0k h ILE 32 CO 0.29 0.00 1.07 -0.13 -3.07 0.00 0.00 178.15 176.31 3a0k s ARG 33 N -3.64 3.29 0.53 2.19 0.52 -1.26 -4.93 118.95 115.65 3a0k s ARG 33 Ca 0.01 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.37 3a0k s ARG 33 Cb 0.09 -4.51 -0.06 0.00 0.52 0.00 0.00 34.95 30.99 3a0k s ARG 33 CO 0.52 -2.09 1.22 0.43 0.02 0.00 0.00 175.30 175.39 3a0k n SER 34 N 8.83 2.06 0.20 0.23 7.64 -1.26 -4.77 113.62 126.55 3a0k n SER 34 Ca 0.10 0.96 0.09 0.00 1.01 0.00 0.00 58.87 61.04 3a0k n SER 34 Cb 0.49 -1.50 0.19 0.00 -1.01 0.00 0.00 64.21 62.39 3a0k n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3a0k h LYS 35 N 1.31 0.00 -2.29 1.43 1.79 -0.41 -3.45 116.57 114.96 3a0k h LYS 35 Ca -0.49 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.91 3a0k h LYS 35 Cb 1.32 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.77 3a0k h LYS 35 CO 0.56 0.18 0.03 -1.54 -1.08 0.00 0.00 179.45 177.61 3a0k s SER 36 N -6.25 -0.57 0.06 0.86 1.04 -1.20 -4.97 113.70 102.68 3a0k s SER 36 Ca 0.05 0.80 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 3a0k s SER 36 Cb 0.07 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 3a0k s SER 36 CO 0.68 -0.43 -0.04 0.42 0.98 0.00 0.00 173.24 174.85 3a0k s THR 37 N -0.63 0.35 -0.05 2.02 -4.23 -1.26 -0.82 115.64 111.02 3a0k s THR 37 Ca -0.07 -1.74 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 3a0k s THR 37 Cb -0.03 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.40 3a0k s THR 37 CO 0.05 -0.90 0.14 0.00 -0.54 0.00 0.00 174.62 173.37 3a0k s ALA 38 N -3.55 -0.34 0.25 3.99 0.00 0.13 -4.96 121.76 117.29 3a0k s ALA 38 Ca 0.06 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 3a0k s ALA 38 Cb 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.88 3a0k s ALA 38 CO -0.08 -0.09 1.52 0.50 0.00 0.00 0.00 175.76 177.62 3a0k s ARG 39 N -0.13 4.20 -0.24 0.00 3.52 -1.26 -0.32 118.95 124.72 3a0k s ARG 39 Ca -0.02 2.42 -0.01 0.00 -0.13 0.00 0.00 55.73 58.00 3a0k s ARG 39 Cb -0.02 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3a0k s ARG 39 CO 0.00 -0.53 -0.09 -0.46 -0.81 0.00 0.00 175.30 173.41 3a0k s TRP 40 N 0.16 3.04 -1.17 5.12 -0.00 0.43 -4.77 118.94 121.75 3a0k s TRP 40 Ca 0.62 -1.67 -0.19 0.00 -0.00 0.00 0.00 56.10 54.87 3a0k s TRP 40 Cb -0.45 -2.02 0.08 0.00 -0.00 0.00 0.00 33.47 31.09 3a0k s TRP 40 CO 0.43 -0.76 1.56 1.21 -0.00 0.00 0.00 176.95 179.39 3a0k s ASN 41 N 1.29 6.73 0.27 5.86 3.04 -1.26 -4.44 114.94 126.43 3a0k s ASN 41 Ca -0.00 -2.14 -0.29 0.00 0.04 0.00 0.00 52.86 50.46 3a0k s ASN 41 Cb -0.16 -2.54 -0.10 0.00 -1.54 0.00 0.00 41.25 36.91 3a0k s ASN 41 CO -0.06 -1.23 1.30 -0.32 -3.04 0.00 0.00 177.10 173.75 3a0k s MET 42 N 4.07 4.39 -0.76 0.43 -2.45 -1.26 -4.61 119.30 119.11 3a0k s MET 42 Ca 0.48 2.12 0.03 0.00 -1.25 0.00 0.00 55.69 57.07 3a0k s MET 42 Cb 0.01 -3.13 0.18 0.00 1.25 0.00 0.00 34.83 33.14 3a0k s MET 42 CO -0.00 -0.19 0.58 -0.65 1.05 0.00 0.00 175.02 175.81 3a0k s GLN 43 N -0.99 2.71 0.23 4.11 -0.21 -1.26 -5.08 119.66 119.17 3a0k s GLN 43 Ca 0.52 -3.34 -0.31 0.00 0.02 0.00 0.00 55.36 52.25 3a0k s GLN 43 Cb -0.38 -3.58 -0.14 0.00 1.00 0.00 0.00 33.01 29.91 3a0k s GLN 43 CO 0.45 -1.28 1.38 -2.37 -2.12 0.00 0.00 175.29 171.35 3a0k n THR 44 N 2.06 0.95 -0.61 -0.19 5.66 -1.26 -1.25 114.28 119.64 3a0k n THR 44 Ca 0.20 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3a0k n THR 44 Cb 0.36 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 3a0k n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3a0k n GLY 45 N 2.13 1.28 3.47 1.09 0.00 0.11 -4.98 105.19 108.29 3a0k n GLY 45 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3a0k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0k s LYS 46 N -0.19 2.11 0.05 1.61 -0.14 -0.38 -4.98 119.74 117.81 3a0k s LYS 46 Ca 0.00 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.34 3a0k s LYS 46 Cb 0.00 -2.21 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 3a0k s LYS 46 CO 0.00 0.54 1.19 0.08 -0.76 0.00 0.00 175.35 176.41 3a0k s VAL 47 N -0.93 4.09 0.37 3.17 1.01 -1.26 -4.45 120.40 122.40 3a0k s VAL 47 Ca 0.15 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.70 3a0k s VAL 47 Cb -0.11 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3a0k s VAL 47 CO 0.05 0.10 0.18 -0.83 0.00 0.00 0.00 175.10 174.61 3a0k s GLY 48 N 1.12 2.09 -0.01 4.51 0.00 0.87 -4.46 107.32 111.43 3a0k s GLY 48 Ca 0.58 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 43.42 3a0k s GLY 48 CO 0.28 -1.80 -0.13 -1.59 0.00 0.00 0.00 173.10 169.87 3a0k s THR 49 N -2.48 1.03 -0.03 0.90 2.01 -0.02 -0.61 115.64 116.44 3a0k s THR 49 Ca 0.40 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.92 3a0k s THR 49 Cb -0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 3a0k s THR 49 CO 0.23 0.30 -0.24 0.00 -0.69 0.00 0.00 174.62 174.22 3a0k s ALA 50 N -0.22 2.04 -0.10 7.40 0.00 0.13 -0.33 121.76 130.68 3a0k s ALA 50 Ca 0.03 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3a0k s ALA 50 Cb -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3a0k s ALA 50 CO -0.00 0.46 -0.20 -1.01 0.00 0.00 0.00 175.76 175.01 3a0k s HIS 51 N -0.42 2.29 -0.02 0.00 3.76 0.18 -0.72 115.29 120.36 3a0k s HIS 51 Ca 0.05 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 54.03 3a0k s HIS 51 Cb -0.11 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 3a0k s HIS 51 CO 0.01 -0.43 -0.16 0.42 -0.85 0.00 0.00 174.74 173.73 3a0k s ILE 52 N 0.55 1.25 -0.00 0.60 1.01 0.18 -0.25 121.20 124.54 3a0k s ILE 52 Ca -0.15 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 3a0k s ILE 52 Cb -0.17 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 3a0k s ILE 52 CO 0.05 0.36 0.10 -0.55 0.00 0.00 0.00 174.94 174.90 3a0k s SER 53 N -0.28 0.04 -0.01 3.58 0.15 -0.12 -0.64 113.70 116.43 3a0k s SER 53 Ca 0.04 -0.19 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 3a0k s SER 53 Cb -0.07 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 3a0k s SER 53 CO -0.00 -0.30 0.36 -0.47 1.20 0.00 0.00 173.24 174.04 3a0k s TYR 54 N -1.14 -0.24 -0.02 3.44 5.04 0.23 -1.28 117.35 123.39 3a0k s TYR 54 Ca -0.12 0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 54.67 3a0k s TYR 54 Cb -0.07 0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.41 3a0k s TYR 54 CO 0.01 -0.45 0.35 0.54 -1.34 0.00 0.00 175.55 174.66 3a0k s ASN 55 N -1.46 -0.25 0.00 4.32 2.20 -1.26 -1.37 114.94 117.13 3a0k s ASN 55 Ca -0.12 0.18 0.21 0.00 -0.94 0.00 0.00 52.86 52.20 3a0k s ASN 55 Cb -0.04 0.36 0.91 0.00 -2.00 0.00 0.00 41.25 40.48 3a0k s ASN 55 CO 0.04 -0.45 1.68 -1.54 -2.94 0.00 0.00 177.10 173.88 3a0k n SER 56 N 1.31 0.00 -0.09 3.54 3.41 0.87 0.15 113.62 122.80 3a0k n SER 56 Ca -0.21 0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 58.69 3a0k n SER 56 Cb 0.56 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 3a0k n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3a0k h VAL 57 N 0.00 1.25 -0.10 -3.33 2.07 -1.89 -3.34 116.25 110.91 3a0k h VAL 57 Ca 0.00 -2.25 -0.05 0.00 0.82 0.00 0.00 66.70 65.22 3a0k h VAL 57 Cb 0.36 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3a0k h VAL 57 CO 0.00 0.43 -0.18 0.00 0.02 0.00 0.00 177.57 177.84 3a0k h ALA 58 N -0.30 1.51 -6.33 1.67 0.00 -1.92 -3.46 119.26 110.43 3a0k h ALA 58 Ca -0.22 -0.22 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 3a0k h ALA 58 Cb 1.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3a0k h ALA 58 CO -0.13 0.35 -0.81 1.63 0.00 0.00 0.00 179.25 180.30 3a0k n LYS 59 N -4.25 -4.70 -3.94 0.00 5.02 0.39 -4.94 118.16 105.74 3a0k n LYS 59 Ca -0.01 0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 3a0k n LYS 59 Cb 0.29 -5.20 -0.17 0.00 -0.02 0.00 0.00 35.03 29.94 3a0k n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3a0k s ARG 60 N -6.47 1.76 -0.19 1.97 3.52 -1.24 -1.25 118.95 117.04 3a0k s ARG 60 Ca 0.38 -0.36 -0.15 0.00 -0.13 0.00 0.00 55.73 55.48 3a0k s ARG 60 Cb -0.20 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 3a0k s ARG 60 CO 0.85 -0.27 0.34 -1.17 -0.81 0.00 0.00 175.30 174.24 3a0k s LEU 61 N 1.64 4.19 0.10 -0.88 2.96 0.66 -4.06 118.68 123.29 3a0k s LEU 61 Ca 0.05 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3a0k s LEU 61 Cb -0.13 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3a0k s LEU 61 CO -0.09 0.00 -0.08 0.42 -1.32 0.00 0.00 176.35 175.28 3a0k s THR 62 N 0.96 0.83 -0.03 3.68 -4.23 -0.40 0.51 115.64 116.97 3a0k s THR 62 Ca 0.17 -1.75 -0.08 0.00 -1.18 0.00 0.00 61.69 58.85 3a0k s THR 62 Cb -0.14 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.24 3a0k s THR 62 CO 0.06 -0.69 0.17 0.00 -0.54 0.00 0.00 174.62 173.63 3a0k s ALA 63 N -2.91 -0.42 -0.02 3.99 0.00 0.27 -0.94 121.76 121.73 3a0k s ALA 63 Ca 0.08 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3a0k s ALA 63 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 3a0k s ALA 63 CO -0.02 -0.17 -0.11 0.54 0.00 0.00 0.00 175.76 176.01 3a0k s VAL 64 N -0.80 0.87 -0.11 0.00 0.11 0.65 -0.88 120.40 120.24 3a0k s VAL 64 Ca -0.09 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3a0k s VAL 64 Cb -0.05 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3a0k s VAL 64 CO 0.01 0.26 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.18 3a0k s VAL 65 N -0.03 1.60 0.15 2.04 1.01 0.12 -0.64 120.40 124.65 3a0k s VAL 65 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3a0k s VAL 65 Cb -0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3a0k s VAL 65 CO 0.00 0.46 -0.11 -0.94 0.00 0.00 0.00 175.10 174.51 3a0k s SER 66 N 0.89 1.93 0.15 3.32 1.04 0.55 -0.56 113.70 121.02 3a0k s SER 66 Ca -0.08 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.40 3a0k s SER 66 Cb -0.15 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 3a0k s SER 66 CO -0.01 -0.28 -0.06 -0.31 0.98 0.00 0.00 173.24 173.57 3a0k s TYR 67 N -3.09 1.22 -0.60 5.02 2.02 0.57 -0.84 117.35 121.65 3a0k s TYR 67 Ca 0.16 -0.87 -0.07 0.00 -0.37 0.00 0.00 57.07 55.92 3a0k s TYR 67 Cb 0.01 -0.66 -0.18 0.00 -0.40 0.00 0.00 41.96 40.72 3a0k s TYR 67 CO 0.02 -0.04 3.34 0.43 -1.57 0.00 0.00 175.55 177.72 3a0k n SER 68 N -0.20 6.56 0.00 2.29 7.64 -1.26 -3.72 113.62 124.93 3a0k n SER 68 Ca -0.09 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.23 3a0k n SER 68 Cb 0.62 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3a0k n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0k n GLY 69 N 2.77 0.00 0.00 0.23 0.00 -1.26 -5.13 105.19 101.80 3a0k n GLY 69 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3a0k n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a0k n SER 70 N 0.00 0.00 -4.74 1.61 7.64 -1.24 -5.12 113.62 111.77 3a0k n SER 70 Ca 0.00 0.00 -0.66 0.00 1.01 0.00 0.00 58.87 59.22 3a0k n SER 70 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3a0k n SER 70 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3a0k n SER 71 N 0.00 1.39 -4.74 6.43 3.41 -1.26 -4.58 113.62 114.27 3a0k n SER 71 Ca 0.00 1.17 -0.41 0.00 -0.26 0.00 0.00 58.87 59.37 3a0k n SER 71 Cb 0.00 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 62.98 3a0k n SER 71 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3a0k s SER 72 N 3.02 7.29 -0.00 4.04 0.01 -1.24 0.21 113.70 127.02 3a0k s SER 72 Ca 1.03 2.08 0.03 0.00 1.31 0.00 0.00 55.95 60.41 3a0k s SER 72 Cb -1.42 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 62.20 3a0k s SER 72 CO 0.78 -0.20 -0.08 0.28 0.41 0.00 0.00 173.24 174.44 3a0k s THR 73 N -0.33 0.66 0.05 1.44 -1.32 0.28 -4.95 115.64 111.47 3a0k s THR 73 Ca 0.49 -0.38 0.05 0.00 -1.21 0.00 0.00 61.69 60.64 3a0k s THR 73 Cb -0.29 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 3a0k s THR 73 CO 0.35 0.17 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.89 3a0k s THR 74 N -0.23 1.20 -0.06 5.08 2.01 -1.26 0.14 115.64 122.53 3a0k s THR 74 Ca 0.03 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 3a0k s THR 74 Cb -0.03 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.41 3a0k s THR 74 CO -0.00 -0.00 0.28 0.54 -0.69 0.00 0.00 174.62 174.74 3a0k s VAL 75 N -0.91 0.03 0.07 3.82 0.11 -0.06 -4.65 120.40 118.81 3a0k s VAL 75 Ca 0.02 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3a0k s VAL 75 Cb -0.08 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3a0k s VAL 75 CO 0.02 -0.15 0.06 -0.44 -3.33 0.00 0.00 175.10 171.26 3a0k s SER 76 N -0.63 0.33 -0.21 3.54 0.01 -1.26 -0.56 113.70 114.92 3a0k s SER 76 Ca -0.07 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.24 3a0k s SER 76 Cb -0.04 0.26 0.08 0.00 0.21 0.00 0.00 66.02 66.52 3a0k s SER 76 CO 0.02 -0.65 0.49 -0.47 0.41 0.00 0.00 173.24 173.04 3a0k s TYR 77 N -3.85 -0.80 -0.21 2.43 5.04 0.18 -4.82 117.35 115.32 3a0k s TYR 77 Ca 0.06 1.60 -0.27 0.00 -2.44 0.00 0.00 57.07 56.02 3a0k s TYR 77 Cb 0.06 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.77 3a0k s TYR 77 CO -0.10 -0.44 0.93 -0.51 -1.34 0.00 0.00 175.55 174.09 3a0k s ASP 78 N 1.82 7.00 -0.22 4.32 1.01 -1.26 -0.24 116.67 129.10 3a0k s ASP 78 Ca -0.08 1.24 -0.22 0.00 0.71 0.00 0.00 52.55 54.20 3a0k s ASP 78 Cb -0.09 -2.49 0.06 0.00 1.01 0.00 0.00 42.92 41.41 3a0k s ASP 78 CO -0.15 -0.54 0.62 0.54 0.21 0.00 0.00 175.17 175.85 3a0k s VAL 79 N 2.74 0.00 -0.51 -1.27 0.11 -0.38 -4.97 120.40 116.12 3a0k s VAL 79 Ca 0.40 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.27 3a0k s VAL 79 Cb -0.16 -0.88 0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3a0k s VAL 79 CO 0.09 -0.01 0.50 -0.62 -3.33 0.00 0.00 175.10 171.73 3a0k s ASP 80 N 0.17 6.18 0.50 3.54 -1.08 -1.26 -4.24 116.67 120.47 3a0k s ASP 80 Ca -0.01 -1.38 0.33 0.00 -0.52 0.00 0.00 52.55 50.97 3a0k s ASP 80 Cb -0.04 -2.22 1.45 0.00 -1.46 0.00 0.00 42.92 40.64 3a0k s ASP 80 CO 0.02 -0.80 1.98 -0.07 0.52 0.00 0.00 175.17 176.81 3a0k h LEU 81 N 9.11 0.00 -1.37 -1.34 3.38 -1.95 -0.81 115.31 122.33 3a0k h LEU 81 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3a0k h LEU 81 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a0k h LEU 81 CO 0.96 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.20 3a0k h THR 82 N 0.00 0.00 -0.01 0.22 1.35 -1.92 0.20 112.91 112.74 3a0k h THR 82 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3a0k h THR 82 Cb 0.38 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3a0k h THR 82 CO 0.00 0.00 -0.12 0.59 -0.25 0.00 0.00 175.52 175.74 3a0k n ASN 83 N -2.72 1.58 -0.02 5.36 5.03 -0.31 -4.49 115.26 119.69 3a0k n ASN 83 Ca 0.01 -1.37 -0.04 0.00 0.87 0.00 0.00 54.58 54.04 3a0k n ASN 83 Cb 0.23 0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 39.05 3a0k n ASN 83 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3a0k n VAL 84 N 0.05 0.21 -3.68 2.41 0.31 -0.66 -5.06 118.33 111.92 3a0k n VAL 84 Ca 0.15 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.19 3a0k n VAL 84 Cb 0.39 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.79 3a0k n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3a0k s LEU 85 N -6.16 4.18 0.89 7.52 1.43 0.60 -4.96 118.68 122.18 3a0k s LEU 85 Ca -0.05 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3a0k s LEU 85 Cb 0.02 -3.11 0.12 0.00 0.03 0.00 0.00 46.19 43.25 3a0k s LEU 85 CO 0.07 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.44 3a0k s PRO 86 N -3.90 1.34 0.45 1.29 0.04 -1.26 -4.70 135.00 128.26 3a0k s PRO 86 Ca 0.37 0.87 0.23 0.00 0.04 0.00 0.00 61.00 62.51 3a0k s PRO 86 Cb -0.10 -1.81 1.08 0.00 0.04 0.00 0.00 34.50 33.71 3a0k s PRO 86 CO 0.32 -2.20 1.92 1.05 0.04 0.00 0.00 177.00 178.13 3a0k h GLU 87 N -1.52 0.00 -5.86 4.56 4.11 -1.93 -3.41 114.58 110.53 3a0k h GLU 87 Ca -0.49 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.27 3a0k h GLU 87 Cb 1.28 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.31 3a0k h GLU 87 CO 0.54 0.23 -0.71 -1.58 0.07 0.00 0.00 179.01 177.55 3a0k s TRP 88 N -3.96 2.89 0.17 2.06 0.52 -1.26 0.24 118.94 119.60 3a0k s TRP 88 Ca -0.02 -0.19 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 3a0k s TRP 88 Cb 0.12 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3a0k s TRP 88 CO 0.64 0.14 0.15 0.14 0.02 0.00 0.00 176.95 178.04 3a0k s VAL 89 N -0.36 0.06 0.18 4.03 -7.23 0.26 -4.18 120.40 113.16 3a0k s VAL 89 Ca 0.05 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 3a0k s VAL 89 Cb -0.12 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3a0k s VAL 89 CO 0.02 -0.26 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.40 3a0k s ARG 90 N -4.07 2.31 0.12 4.82 0.52 0.66 0.06 118.95 123.37 3a0k s ARG 90 Ca 0.27 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 3a0k s ARG 90 Cb 0.06 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 3a0k s ARG 90 CO 0.05 0.45 -0.14 0.14 0.02 0.00 0.00 175.30 175.81 3a0k s VAL 91 N -1.73 3.07 0.36 3.52 -7.23 -1.26 -1.21 120.40 115.91 3a0k s VAL 91 Ca 0.27 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 58.86 3a0k s VAL 91 Cb -0.09 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.47 3a0k s VAL 91 CO 0.18 0.09 0.75 -0.83 -0.31 0.00 0.00 175.10 174.98 3a0k s GLY 92 N -2.22 0.38 0.07 2.32 0.00 0.21 -0.46 107.32 107.63 3a0k s GLY 92 Ca 0.20 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.26 3a0k s GLY 92 CO 0.12 -0.33 -0.23 1.08 0.00 0.00 0.00 173.10 173.74 3a0k s LEU 93 N -3.06 2.22 0.16 0.66 1.43 -0.23 -0.24 118.68 119.63 3a0k s LEU 93 Ca 0.16 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3a0k s LEU 93 Cb -0.05 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 3a0k s LEU 93 CO 0.11 0.16 -0.02 -0.94 0.23 0.00 0.00 176.35 175.89 3a0k s SER 94 N -1.49 1.30 0.13 2.29 1.04 -0.16 -0.74 113.70 116.08 3a0k s SER 94 Ca 0.09 -1.14 -0.24 0.00 0.48 0.00 0.00 55.95 55.14 3a0k s SER 94 Cb -0.09 0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.19 3a0k s SER 94 CO 0.03 -0.53 0.63 0.00 0.98 0.00 0.00 173.24 174.36 3a0k s ALA 95 N -3.60 -1.63 0.11 5.32 0.00 -0.09 0.41 121.76 122.27 3a0k s ALA 95 Ca 0.22 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 3a0k s ALA 95 Cb 0.06 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3a0k s ALA 95 CO 0.03 -0.74 0.12 0.95 0.00 0.00 0.00 175.76 176.12 3a0k s THR 96 N -3.56 0.13 0.30 0.00 -4.23 0.02 -1.66 115.64 106.64 3a0k s THR 96 Ca 0.01 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 3a0k s THR 96 Cb -0.01 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 3a0k s THR 96 CO -0.11 -0.60 -0.01 0.42 -0.54 0.00 0.00 174.62 173.77 3a0k s THR 97 N -3.95 1.48 0.00 3.99 -4.23 0.48 -0.43 115.64 112.98 3a0k s THR 97 Ca 0.13 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3a0k s THR 97 Cb 0.06 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3a0k s THR 97 CO -0.05 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3a0k n GLY 98 N -0.63 3.99 0.19 3.99 0.00 -1.26 -2.67 105.19 108.80 3a0k n GLY 98 Ca -0.04 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 3a0k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a0k h LEU 99 N 0.00 0.81-10.37 0.99 6.46 -1.95 0.68 115.31 111.93 3a0k h LEU 99 Ca 0.00 -0.71 -0.43 0.00 -0.12 0.00 0.00 57.88 56.62 3a0k h LEU 99 Cb 0.00 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 39.70 3a0k h LEU 99 CO 0.00 1.41 -0.30 -0.31 -0.62 0.00 0.00 178.44 178.62 3a0k s TYR 100 N -3.42 3.01 0.23 1.25 2.02 -1.26 -4.84 117.35 114.33 3a0k s TYR 100 Ca -0.11 -0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 3a0k s TYR 100 Cb 0.06 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 3a0k s TYR 100 CO 0.89 -0.17 0.28 -1.59 -1.57 0.00 0.00 175.55 173.38 3a0k s LYS 101 N -4.25 1.37 -0.20 -0.62 -2.85 -1.21 -4.20 119.74 107.77 3a0k s LYS 101 Ca 0.49 -1.50 -0.32 0.00 -1.00 0.00 0.00 55.97 53.64 3a0k s LYS 101 Cb -0.10 0.35 0.15 0.00 -2.06 0.00 0.00 37.83 36.17 3a0k s LYS 101 CO 0.32 -0.50 1.18 -1.83 0.10 0.00 0.00 175.35 174.62 3a0k s GLU 102 N -4.06 0.33 0.43 1.78 -1.05 -1.01 -3.17 118.70 111.95 3a0k s GLU 102 Ca 0.32 -0.04 -0.22 0.00 -0.15 0.00 0.00 54.97 54.88 3a0k s GLU 102 Cb 0.04 0.15 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 3a0k s GLU 102 CO 0.11 -0.13 1.03 0.95 0.95 0.00 0.00 175.26 178.17 3a0k s THR 103 N -1.85 3.86 -0.55 1.83 -4.23 0.90 -4.71 115.64 110.88 3a0k s THR 103 Ca 0.07 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.93 3a0k s THR 103 Cb -0.01 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.52 3a0k s THR 103 CO -0.04 -0.13 0.75 0.59 -0.54 0.00 0.00 174.62 175.24 3a0k n ASN 104 N -0.48 2.96 -4.72 3.99 3.02 -1.26 -3.92 115.26 114.85 3a0k n ASN 104 Ca 0.07 -3.31 -0.39 0.00 -0.03 0.00 0.00 54.58 50.91 3a0k n ASN 104 Cb 0.51 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 3a0k n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3a0k s THR 105 N -2.66 5.07 -0.18 3.41 2.01 -0.85 -1.58 115.64 120.87 3a0k s THR 105 Ca 0.41 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.70 3a0k s THR 105 Cb 0.20 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3a0k s THR 105 CO -0.06 0.28 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.47 3a0k s ILE 106 N 0.71 3.72 -0.13 1.82 -1.09 0.18 0.10 121.20 126.52 3a0k s ILE 106 Ca 0.35 -0.40 0.17 0.00 -2.23 0.00 0.00 60.65 58.53 3a0k s ILE 106 Cb -0.17 -2.65 -0.23 0.00 -1.58 0.00 0.00 42.46 37.82 3a0k s ILE 106 CO 0.16 0.46 0.41 0.18 -1.23 0.00 0.00 174.94 174.93 3a0k n LEU 107 N 3.98 0.41 -3.47 2.97 4.32 -0.12 -0.87 117.00 124.23 3a0k n LEU 107 Ca -0.17 0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 55.87 3a0k n LEU 107 Cb 0.52 0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 42.57 3a0k n LEU 107 CO 0.31 0.36 0.48 -0.94 -1.22 0.00 0.00 177.39 176.38 3a0k s SER 108 N -5.63 -0.55 -0.26 -1.43 1.04 -1.21 -3.94 113.70 101.71 3a0k s SER 108 Ca -0.07 0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 3a0k s SER 108 Cb 0.08 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.81 3a0k s SER 108 CO 0.83 -0.78 0.65 0.86 0.98 0.00 0.00 173.24 175.78 3a0k s TRP 109 N -2.80 -0.99 0.11 5.02 -0.00 0.06 -1.47 118.94 118.86 3a0k s TRP 109 Ca -0.02 2.00 0.04 0.00 -0.00 0.00 0.00 56.10 58.12 3a0k s TRP 109 Cb -0.01 0.57 -0.04 0.00 -0.00 0.00 0.00 33.47 34.00 3a0k s TRP 109 CO -0.05 -0.50 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.76 3a0k s SER 110 N 1.56 1.53 -0.20 5.86 1.04 0.76 -0.09 113.70 124.16 3a0k s SER 110 Ca -0.10 -0.89 -0.20 0.00 0.48 0.00 0.00 55.95 55.25 3a0k s SER 110 Cb -0.05 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.13 3a0k s SER 110 CO -0.18 -0.30 0.56 0.12 0.98 0.00 0.00 173.24 174.42 3a0k s PHE 111 N -2.82 -0.61 -0.03 5.02 5.36 -0.30 -1.03 117.98 123.58 3a0k s PHE 111 Ca 0.09 1.48 0.02 0.00 -0.96 0.00 0.00 56.93 57.56 3a0k s PHE 111 Cb -0.00 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 3a0k s PHE 111 CO -0.00 -0.31 -0.06 0.99 -1.46 0.00 0.00 175.22 174.38 3a0k s THR 112 N 0.24 0.63 0.03 0.12 2.01 0.56 -0.67 115.64 118.55 3a0k s THR 112 Ca -0.00 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3a0k s THR 112 Cb -0.04 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 3a0k s THR 112 CO 0.01 0.22 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.41 3a0k s SER 113 N 0.53 2.47 0.05 3.53 0.15 0.26 -0.01 113.70 120.68 3a0k s SER 113 Ca -0.07 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.11 3a0k s SER 113 Cb -0.11 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 3a0k s SER 113 CO 0.00 0.18 -0.10 -0.54 1.20 0.00 0.00 173.24 173.98 3a0k s LYS 114 N -1.06 0.66 -0.20 5.44 1.02 0.27 -0.92 119.74 124.95 3a0k s LYS 114 Ca 0.08 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.28 3a0k s LYS 114 Cb -0.09 -0.55 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 3a0k s LYS 114 CO 0.01 0.12 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.96 3a0k s LEU 115 N -1.50 2.26 0.16 3.17 1.43 0.39 -0.81 118.68 123.78 3a0k s LEU 115 Ca -0.05 -0.92 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 3a0k s LEU 115 Cb -0.09 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 3a0k s LEU 115 CO 0.01 -0.17 0.04 -0.54 0.23 0.00 0.00 176.35 175.92 3a0k s LYS 116 N 1.42 2.58 0.00 1.70 1.02 0.13 0.14 119.74 126.73 3a0k s LYS 116 Ca -0.02 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.97 3a0k s LYS 116 Cb -0.17 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3a0k s LYS 116 CO -0.08 0.47 0.00 -2.37 -0.92 0.00 0.00 175.35 172.46 3a0k n THR 117 N -0.11 0.00 -0.82 2.17 5.66 -1.26 -0.45 114.28 119.47 3a0k n THR 117 Ca -0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 3a0k n THR 117 Cb 0.55 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 3a0k n THR 117 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3a0k n ASN 118 N 0.00 4.43 -3.44 1.09 4.13 -1.26 -4.68 115.26 115.53 3a0k n ASN 118 Ca 0.00 -2.32 -0.11 0.00 1.68 0.00 0.00 54.58 53.83 3a0k n ASN 118 Cb 0.00 -1.19 -0.02 0.00 -1.54 0.00 0.00 39.78 37.03 3a0k n ASN 118 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3a0k s SER 119 N 2.15 -0.53 0.42 6.41 0.15 -1.26 -4.96 113.70 116.09 3a0k s SER 119 Ca 0.53 0.02 0.30 0.00 0.70 0.00 0.00 55.95 57.49 3a0k s SER 119 Cb 0.25 0.55 1.42 0.00 -1.71 0.00 0.00 66.02 66.54 3a0k s SER 119 CO 0.00 -0.88 1.89 0.16 1.20 0.00 0.00 173.24 175.61 3a0k h ILE 120 N 2.02 0.00 -3.39 6.45 3.07 -2.05 -3.41 117.51 120.20 3a0k h ILE 120 Ca -0.31 -0.18 -0.59 0.00 1.55 0.00 0.00 64.86 65.34 3a0k h ILE 120 Cb 1.29 0.95 -0.08 0.00 -0.27 0.00 0.00 36.82 38.71 3a0k h ILE 120 CO 0.36 0.00 0.67 0.00 -1.05 0.00 0.00 178.15 178.14 3a0k s ALA 121 N -3.63 3.48 0.35 0.16 0.00 -1.26 -5.02 121.76 115.84 3a0k s ALA 121 Ca -0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 3a0k s ALA 121 Cb 0.09 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3a0k s ALA 121 CO 0.37 -1.45 0.82 -0.25 0.00 0.00 0.00 175.76 175.25 3a0k n ASP 122 N 6.69 0.39 0.21 0.00 8.00 -1.26 -4.59 116.55 125.98 3a0k n ASP 122 Ca 0.09 1.06 0.05 0.00 0.71 0.00 0.00 54.79 56.70 3a0k n ASP 122 Cb 0.48 -1.22 0.45 0.00 -0.02 0.00 0.00 41.12 40.81 3a0k n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a0k h ALA 123 N 1.44 1.46 -1.56 2.24 0.00 -0.60 -3.45 119.26 118.79 3a0k h ALA 123 Ca -0.40 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.34 3a0k h ALA 123 Cb 1.37 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 3a0k h ALA 123 CO 0.57 0.35 0.53 -0.80 0.00 0.00 0.00 179.25 179.90 3a0k s ASN 124 N -6.84 -0.38 0.02 0.00 0.01 -0.22 -4.94 114.94 102.58 3a0k s ASN 124 Ca -0.03 0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 52.62 3a0k s ASN 124 Cb 0.15 0.44 -0.02 0.00 0.41 0.00 0.00 41.25 42.23 3a0k s ASN 124 CO 0.70 -0.29 -0.01 0.00 -1.51 0.00 0.00 177.10 175.99 3a0k s ALA 125 N -0.76 0.07 -0.06 0.60 0.00 -1.26 -0.46 121.76 119.89 3a0k s ALA 125 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3a0k s ALA 125 Cb -0.02 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.29 3a0k s ALA 125 CO -0.01 -0.17 0.12 -1.17 0.00 0.00 0.00 175.76 174.54 3a0k s LEU 126 N -1.48 0.57 -0.00 0.00 2.96 -0.10 -4.97 118.68 115.67 3a0k s LEU 126 Ca -0.15 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3a0k s LEU 126 Cb -0.09 0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.84 3a0k s LEU 126 CO -0.01 -0.17 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.55 3a0k s HIS 127 N 1.46 0.22 0.05 5.38 5.65 -1.26 0.93 115.29 127.71 3a0k s HIS 127 Ca -0.06 -0.04 0.01 0.00 0.25 0.00 0.00 55.06 55.22 3a0k s HIS 127 Cb -0.12 -0.14 -0.03 0.00 -1.18 0.00 0.00 32.58 31.11 3a0k s HIS 127 CO -0.05 -0.00 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.39 3a0k s PHE 128 N -0.04 0.54 -0.12 3.88 -0.12 0.15 -4.98 117.98 117.29 3a0k s PHE 128 Ca 0.01 -0.70 -0.06 0.00 -0.05 0.00 0.00 56.93 56.12 3a0k s PHE 128 Cb -0.01 -0.35 0.05 0.00 -0.63 0.00 0.00 43.02 42.08 3a0k s PHE 128 CO -0.00 -0.19 0.28 0.45 -0.05 0.00 0.00 175.22 175.70 3a0k s SER 129 N -2.08 -0.31 -0.13 1.98 0.15 -1.26 -1.14 113.70 110.90 3a0k s SER 129 Ca -0.05 0.60 0.01 0.00 0.70 0.00 0.00 55.95 57.21 3a0k s SER 129 Cb -0.04 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 3a0k s SER 129 CO -0.03 -0.17 -0.13 -0.36 1.20 0.00 0.00 173.24 173.75 3a0k s PHE 130 N 1.25 1.94 -2.57 3.44 0.40 0.87 -4.95 117.98 118.37 3a0k s PHE 130 Ca -0.09 -1.02 0.22 0.00 -0.60 0.00 0.00 56.93 55.43 3a0k s PHE 130 Cb -0.10 -1.46 0.14 0.00 0.51 0.00 0.00 43.02 42.11 3a0k s PHE 130 CO -0.09 -0.58 1.16 0.09 0.70 0.00 0.00 175.22 176.50 3a0k n ASN 131 N 4.66 2.65 -3.47 1.36 3.02 -1.26 -0.76 115.26 121.45 3a0k n ASN 131 Ca -0.17 -1.82 -0.10 0.00 -0.03 0.00 0.00 54.58 52.46 3a0k n ASN 131 Cb 0.50 0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.75 3a0k n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a0k s GLN 132 N -1.93 1.02 -0.11 3.52 -2.07 -1.25 -4.67 119.66 114.16 3a0k s GLN 132 Ca 0.24 -0.38 0.02 0.00 -1.82 0.00 0.00 55.36 53.43 3a0k s GLN 132 Cb 0.18 0.47 -0.00 0.00 -1.09 0.00 0.00 33.01 32.57 3a0k s GLN 132 CO 0.33 -0.45 -0.20 -0.06 -1.32 0.00 0.00 175.29 173.59 3a0k s PHE 133 N -3.40 2.65 0.73 9.60 0.40 0.19 -5.01 117.98 123.14 3a0k s PHE 133 Ca 0.03 -0.95 -0.11 0.00 -0.60 0.00 0.00 56.93 55.31 3a0k s PHE 133 Cb -0.01 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.79 3a0k s PHE 133 CO -0.11 -0.37 1.08 0.99 0.70 0.00 0.00 175.22 177.51 3a0k s THR 134 N 0.40 3.59 0.42 0.64 2.01 -1.26 -4.18 115.64 117.26 3a0k s THR 134 Ca -0.15 0.54 0.25 0.00 0.31 0.00 0.00 61.69 62.64 3a0k s THR 134 Cb -0.17 -3.12 0.27 0.00 0.01 0.00 0.00 72.50 69.49 3a0k s THR 134 CO 0.07 -0.65 2.05 1.56 -0.69 0.00 0.00 174.62 176.96 3a0k h GLN 135 N -0.84 0.00 -2.86 4.92 4.20 -1.91 -3.26 115.11 115.36 3a0k h GLN 135 Ca -0.44 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.66 3a0k h GLN 135 Cb 1.22 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.60 3a0k h GLN 135 CO 0.54 0.14 -0.74 1.21 -0.67 0.00 0.00 178.83 179.30 3a0k s ASN 136 N -6.32 3.48 -0.94 1.46 2.47 -1.26 -4.77 114.94 109.07 3a0k s ASN 136 Ca -0.03 -3.20 -0.24 0.00 0.42 0.00 0.00 52.86 49.81 3a0k s ASN 136 Cb 0.14 -1.10 0.01 0.00 -1.45 0.00 0.00 41.25 38.85 3a0k s ASN 136 CO 0.61 -0.17 1.61 -2.16 -3.72 0.00 0.00 177.10 173.26 3a0k s PRO 137 N -0.40 3.19 0.02 0.43 0.04 -1.23 -4.76 135.00 132.28 3a0k s PRO 137 Ca 0.24 -0.70 0.17 0.00 0.04 0.00 0.00 61.00 60.76 3a0k s PRO 137 Cb -0.09 -5.11 0.73 0.00 0.04 0.00 0.00 34.50 30.06 3a0k s PRO 137 CO -0.11 -2.59 1.55 1.63 0.04 0.00 0.00 177.00 177.51 3a0k n LYS 138 N 8.94 0.02 -0.38 4.56 5.02 -1.26 -0.96 118.16 134.10 3a0k n LYS 138 Ca 0.32 0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.94 3a0k n LYS 138 Cb 0.50 -1.53 0.29 0.00 -0.02 0.00 0.00 35.03 34.27 3a0k n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3a0k n ASP 139 N -1.56 3.61 -4.38 4.39 5.68 -1.26 -4.87 116.55 118.15 3a0k n ASP 139 Ca 0.04 -2.10 -0.30 0.00 -0.50 0.00 0.00 54.79 51.93 3a0k n ASP 139 Cb 0.20 -0.45 -0.14 0.00 -1.14 0.00 0.00 41.12 39.59 3a0k n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3a0k s LEU 140 N -1.16 2.31 -0.40 -2.12 1.43 -0.13 -0.82 118.68 117.79 3a0k s LEU 140 Ca 0.43 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3a0k s LEU 140 Cb 0.24 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 45.14 3a0k s LEU 140 CO 0.27 0.24 0.28 -0.63 0.23 0.00 0.00 176.35 176.74 3a0k s ILE 141 N -0.90 5.23 -0.18 -0.59 1.01 0.22 -4.82 121.20 121.17 3a0k s ILE 141 Ca 0.13 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 3a0k s ILE 141 Cb -0.10 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3a0k s ILE 141 CO 0.04 -0.25 0.59 -0.76 0.00 0.00 0.00 174.94 174.56 3a0k s LEU 142 N 1.68 4.16 0.08 2.97 1.43 -1.26 -0.34 118.68 127.40 3a0k s LEU 142 Ca 0.05 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 3a0k s LEU 142 Cb -0.19 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 3a0k s LEU 142 CO 0.10 -0.22 -0.18 -1.10 0.23 0.00 0.00 176.35 175.19 3a0k s GLN 143 N 1.67 1.94 6.69 1.70 -0.21 0.42 -4.94 119.66 126.92 3a0k s GLN 143 Ca 0.28 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.58 3a0k s GLN 143 Cb -0.16 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.69 3a0k s GLN 143 CO 0.11 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 3a0k n GLY 144 N 1.15 2.50 0.49 3.09 0.00 -1.26 -1.01 105.19 110.14 3a0k n GLY 144 Ca -0.16 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.60 3a0k n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a0k n ASP 145 N 4.23 1.46 -4.74 1.61 8.00 0.19 -4.90 116.55 122.40 3a0k n ASP 145 Ca 0.00 -1.68 -0.41 0.00 0.71 0.00 0.00 54.79 53.41 3a0k n ASP 145 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 3a0k n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a0k s ALA 146 N -1.81 3.53 0.22 2.24 0.00 -1.12 -4.41 121.76 120.41 3a0k s ALA 146 Ca 0.31 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 3a0k s ALA 146 Cb 0.17 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3a0k s ALA 146 CO 0.25 -0.55 0.28 0.95 0.00 0.00 0.00 175.76 176.69 3a0k s THR 147 N 0.04 0.00 0.10 0.00 -4.23 -0.43 -4.71 115.64 106.41 3a0k s THR 147 Ca 0.56 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 3a0k s THR 147 Cb -0.37 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 3a0k s THR 147 CO 0.39 -0.02 -0.01 0.42 -0.54 0.00 0.00 174.62 174.87 3a0k s THR 148 N -4.09 3.97 0.13 3.99 -4.23 -1.26 0.57 115.64 114.71 3a0k s THR 148 Ca 0.31 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 3a0k s THR 148 Cb 0.04 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.99 3a0k s THR 148 CO 0.10 0.11 0.07 -0.90 -0.54 0.00 0.00 174.62 173.46 3a0k n ASP 149 N 0.53 1.63 0.24 3.99 5.68 0.63 -4.90 116.55 124.35 3a0k n ASP 149 Ca -0.11 -1.46 0.13 0.00 -0.50 0.00 0.00 54.79 52.86 3a0k n ASP 149 Cb 0.52 0.01 0.35 0.00 -1.14 0.00 0.00 41.12 40.87 3a0k n ASP 149 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3a0k h SER 150 N 0.19 0.00 0.03 -1.12 4.64 -1.95 -1.53 113.55 113.80 3a0k h SER 150 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3a0k h SER 150 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3a0k h SER 150 CO 0.14 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.60 3a0k n ASP 151 N -3.11 0.00 0.00 4.97 10.43 -1.26 -4.85 116.55 122.73 3a0k n ASP 151 Ca 0.03 -0.83 0.00 0.00 2.57 0.00 0.00 54.79 56.56 3a0k n ASP 151 Cb 0.46 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.40 3a0k n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a0k n GLY 152 N 0.76 0.58 3.81 0.44 0.00 -0.58 -4.92 105.19 105.29 3a0k n GLY 152 Ca 0.20 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3a0k n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a0k s ASN 153 N -2.51 5.62 -0.36 1.61 0.01 -1.25 0.55 114.94 118.61 3a0k s ASN 153 Ca 0.00 -0.07 -0.16 0.00 -0.71 0.00 0.00 52.86 51.93 3a0k s ASN 153 Cb 0.00 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 40.15 3a0k s ASN 153 CO 0.00 0.09 0.37 -0.22 -1.51 0.00 0.00 177.10 175.83 3a0k s LEU 154 N -2.98 4.56 -0.49 0.60 2.96 -0.05 -0.27 118.68 123.02 3a0k s LEU 154 Ca 0.31 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 3a0k s LEU 154 Cb -0.11 -2.33 0.09 0.00 0.50 0.00 0.00 46.19 44.34 3a0k s LEU 154 CO 0.24 -0.39 0.44 -1.61 -1.32 0.00 0.00 176.35 173.71 3a0k s GLU 155 N 2.01 2.99 0.21 1.98 0.41 0.19 0.51 118.70 127.00 3a0k s GLU 155 Ca 0.11 -1.40 0.01 0.00 -0.41 0.00 0.00 54.97 53.28 3a0k s GLU 155 Cb -0.17 -4.17 0.16 0.00 -1.78 0.00 0.00 34.13 28.17 3a0k s GLU 155 CO 0.12 -1.12 1.51 -0.07 -0.49 0.00 0.00 175.26 175.21 3a0k h LEU 156 N 8.88 0.42 -9.45 1.80 3.38 -1.52 -1.13 115.31 117.69 3a0k h LEU 156 Ca -0.29 -0.25 -0.58 0.00 0.09 0.00 0.00 57.88 56.86 3a0k h LEU 156 Cb 1.11 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 3a0k h LEU 156 CO 0.93 0.94 -0.68 0.42 0.09 0.00 0.00 178.44 180.14 3a0k s THR 157 N -3.79 2.99 0.27 0.22 -4.23 -1.26 -2.84 115.64 107.00 3a0k s THR 157 Ca -0.05 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.06 3a0k s THR 157 Cb 0.11 -2.66 -0.12 0.00 1.34 0.00 0.00 72.50 71.18 3a0k s THR 157 CO 0.82 -0.35 1.64 -0.75 -0.54 0.00 0.00 174.62 175.44 3a0k s LYS 158 N -3.63 4.12 0.02 3.99 2.47 -1.26 -4.71 119.74 120.74 3a0k s LYS 158 Ca 0.32 2.59 0.05 0.00 -1.56 0.00 0.00 55.97 57.37 3a0k s LYS 158 Cb -0.05 -3.04 -0.02 0.00 -1.46 0.00 0.00 37.83 33.27 3a0k s LYS 158 CO 0.18 -0.68 -0.15 0.08 0.16 0.00 0.00 175.35 174.95 3a0k s VAL 159 N 0.37 1.15 1.22 4.02 1.01 -1.26 -1.06 120.40 125.84 3a0k s VAL 159 Ca 0.67 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3a0k s VAL 159 Cb -0.49 -1.01 0.29 0.00 0.00 0.00 0.00 36.38 35.17 3a0k s VAL 159 CO 0.43 0.12 1.05 -0.94 0.00 0.00 0.00 175.10 175.77 3a0k s SER 160 N -0.87 0.70 0.42 3.32 1.04 0.84 -4.78 113.70 114.37 3a0k s SER 160 Ca 0.03 0.87 0.13 0.00 0.48 0.00 0.00 55.95 57.46 3a0k s SER 160 Cb -0.07 -1.27 0.98 0.00 0.10 0.00 0.00 66.02 65.76 3a0k s SER 160 CO 0.01 -4.28 1.96 0.77 0.98 0.00 0.00 173.24 172.67 3a0k h SER 161 N -2.69 0.43 0.91 7.02 4.64 -2.01 0.81 113.55 122.68 3a0k h SER 161 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3a0k h SER 161 Cb 1.32 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3a0k h SER 161 CO 0.39 0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 3a0k n SER 162 N -4.48 0.32 0.00 4.97 3.41 -1.26 -4.85 113.62 111.73 3a0k n SER 162 Ca 0.11 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3a0k n SER 162 Cb 0.39 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3a0k n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a0k n GLY 163 N 0.74 0.92 3.70 5.00 0.00 0.28 -5.05 105.19 110.78 3a0k n GLY 163 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3a0k n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a0k s SER 164 N -2.13 7.26 0.40 1.61 0.15 -1.26 -4.66 113.70 115.08 3a0k s SER 164 Ca 0.00 1.65 -0.26 0.00 0.70 0.00 0.00 55.95 58.04 3a0k s SER 164 Cb 0.00 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 3a0k s SER 164 CO 0.00 -0.39 1.24 -2.16 1.20 0.00 0.00 173.24 173.13 3a0k s PRO 165 N 1.55 4.02 0.12 5.44 0.04 -1.26 -0.11 135.00 144.80 3a0k s PRO 165 Ca 0.51 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.59 3a0k s PRO 165 Cb -0.21 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3a0k s PRO 165 CO 0.23 -0.40 0.14 -0.65 0.04 0.00 0.00 177.00 176.36 3a0k s GLN 166 N -2.25 3.00 0.90 4.56 -1.52 -0.23 -4.74 119.66 119.39 3a0k s GLN 166 Ca 0.57 -0.74 -0.14 0.00 -1.95 0.00 0.00 55.36 53.09 3a0k s GLN 166 Cb -0.34 -2.74 0.16 0.00 -0.22 0.00 0.00 33.01 29.86 3a0k s GLN 166 CO 0.44 0.53 1.26 0.20 -0.25 0.00 0.00 175.29 177.47 3a0k s GLY 167 N -2.82 1.72 -1.45 3.09 0.00 -1.26 -4.43 107.32 102.16 3a0k s GLY 167 Ca 0.31 -1.03 -0.09 0.00 0.00 0.00 0.00 44.72 43.91 3a0k s GLY 167 CO 0.24 -0.36 0.75 1.44 0.00 0.00 0.00 173.10 175.17 3a0k n SER 168 N -3.59 -5.07 -4.47 1.64 7.64 0.24 -4.79 113.62 105.22 3a0k n SER 168 Ca 0.13 -0.49 -0.29 0.00 1.01 0.00 0.00 58.87 59.22 3a0k n SER 168 Cb 0.60 -4.09 -0.12 0.00 -1.01 0.00 0.00 64.21 59.59 3a0k n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3a0k s SER 169 N -2.95 3.78 -0.04 6.43 0.15 -1.13 -4.93 113.70 115.00 3a0k s SER 169 Ca 0.48 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 3a0k s SER 169 Cb -0.23 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.61 3a0k s SER 169 CO 0.59 0.18 0.13 0.54 1.20 0.00 0.00 173.24 175.87 3a0k s VAL 170 N -1.14 0.01 0.03 4.45 0.11 -1.26 -0.39 120.40 122.21 3a0k s VAL 170 Ca 0.17 -0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 3a0k s VAL 170 Cb -0.10 -0.21 0.05 0.00 -1.53 0.00 0.00 36.38 34.58 3a0k s VAL 170 CO 0.09 -0.05 0.48 -0.83 -3.33 0.00 0.00 175.10 171.47 3a0k s GLY 171 N -0.10 -0.36 0.06 6.54 0.00 -0.66 0.53 107.32 113.32 3a0k s GLY 171 Ca -0.02 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 3a0k s GLY 171 CO 0.00 0.26 0.03 0.50 0.00 0.00 0.00 173.10 173.89 3a0k s ARG 172 N -2.23 0.66 -0.08 2.90 0.52 -0.18 -0.91 118.95 119.63 3a0k s ARG 172 Ca -0.07 -1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 54.01 3a0k s ARG 172 Cb -0.01 0.24 0.03 0.00 0.52 0.00 0.00 34.95 35.73 3a0k s ARG 172 CO -0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 175.30 175.14 3a0k s ALA 173 N -3.83 0.87 -0.08 2.13 0.00 0.09 -0.44 121.76 120.50 3a0k s ALA 173 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 3a0k s ALA 173 Cb 0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3a0k s ALA 173 CO -0.10 -0.39 0.08 -0.51 0.00 0.00 0.00 175.76 174.84 3a0k s LEU 174 N 1.77 4.01 0.52 0.00 1.02 0.54 -1.06 118.68 125.47 3a0k s LEU 174 Ca 0.03 0.28 -0.22 0.00 0.02 0.00 0.00 54.13 54.25 3a0k s LEU 174 Cb -0.13 -2.05 -0.06 0.00 0.02 0.00 0.00 46.19 43.97 3a0k s LEU 174 CO -0.05 0.36 1.26 0.12 0.02 0.00 0.00 176.35 178.06 3a0k s PHE 175 N -1.03 2.53 0.09 0.29 5.36 0.39 0.72 117.98 126.32 3a0k s PHE 175 Ca 0.17 1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 57.43 3a0k s PHE 175 Cb -0.12 -3.59 -0.09 0.00 -0.34 0.00 0.00 43.02 38.89 3a0k s PHE 175 CO 0.06 -2.26 1.44 -0.92 -1.46 0.00 0.00 175.22 172.09 3a0k h TYR 176 N 1.60 0.67 -3.53 10.12 5.03 -1.29 -3.42 116.97 126.14 3a0k h TYR 176 Ca -0.50 -0.17 -0.52 0.00 2.58 0.00 0.00 58.73 60.11 3a0k h TYR 176 Cb 1.28 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.39 3a0k h TYR 176 CO 0.49 0.84 0.36 0.00 -1.32 0.00 0.00 178.16 178.52 3a0k s ALA 177 N -4.55 3.23 0.83 1.82 0.00 -1.26 -4.98 121.76 116.84 3a0k s ALA 177 Ca -0.13 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 3a0k s ALA 177 Cb 0.08 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.96 3a0k s ALA 177 CO 0.79 -0.07 0.83 -2.30 0.00 0.00 0.00 175.76 175.01 3a0k n PRO 178 N 3.04 0.05 -4.71 0.00 -0.02 -1.26 -4.73 135.00 127.36 3a0k n PRO 178 Ca 0.03 0.08 -0.24 0.00 -2.02 0.00 0.00 63.50 61.35 3a0k n PRO 178 Cb 0.50 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 3a0k n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a0k s VAL 179 N -2.17 1.24 -0.60 -1.45 1.01 0.11 -4.93 120.40 113.61 3a0k s VAL 179 Ca 0.67 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 3a0k s VAL 179 Cb -0.28 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.12 3a0k s VAL 179 CO 0.57 0.36 0.76 -2.28 0.00 0.00 0.00 175.10 174.51 3a0k s HIS 180 N 0.04 2.93 -0.17 5.22 2.46 -1.26 -0.57 115.29 123.94 3a0k s HIS 180 Ca -0.03 -0.84 0.20 0.00 0.47 0.00 0.00 55.06 54.87 3a0k s HIS 180 Cb -0.10 -4.04 -0.10 0.00 -0.13 0.00 0.00 32.58 28.21 3a0k s HIS 180 CO 0.01 -1.35 0.86 1.51 -2.47 0.00 0.00 174.74 173.30 3a0k n ILE 181 N 5.64 0.78 -3.96 0.89 0.13 0.14 -4.76 119.36 118.22 3a0k n ILE 181 Ca -0.08 -0.61 -0.09 0.00 -1.10 0.00 0.00 62.75 60.87 3a0k n ILE 181 Cb 0.43 -0.45 -0.04 0.00 -0.84 0.00 0.00 39.64 38.75 3a0k n ILE 181 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 3a0k s TRP 182 N -3.19 0.32 -0.28 9.51 1.48 -1.12 -4.67 118.94 120.99 3a0k s TRP 182 Ca -0.03 -0.72 -0.19 0.00 -1.06 0.00 0.00 56.10 54.10 3a0k s TRP 182 Cb 0.10 0.34 0.11 0.00 -1.16 0.00 0.00 33.47 32.85 3a0k s TRP 182 CO 0.81 -1.13 0.86 -2.00 -4.06 0.00 0.00 176.95 171.43 3a0k s GLU 183 N -3.65 0.58 0.27 3.25 -6.30 -1.26 -4.62 118.70 106.97 3a0k s GLU 183 Ca 0.20 0.88 0.08 0.00 -2.50 0.00 0.00 54.97 53.64 3a0k s GLU 183 Cb -0.02 0.18 0.82 0.00 0.00 0.00 0.00 34.13 35.10 3a0k s GLU 183 CO 0.10 -0.10 1.26 0.45 0.02 0.00 0.00 175.26 176.99 3a0k n SER 184 N 3.46 0.07 -0.83 -1.70 2.88 -1.26 -0.43 113.62 115.81 3a0k n SER 184 Ca -0.17 1.35 0.07 0.00 -1.33 0.00 0.00 58.87 58.79 3a0k n SER 184 Cb 0.57 -0.56 0.21 0.00 -0.75 0.00 0.00 64.21 63.68 3a0k n SER 184 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3a0k n SER 185 N -5.00 3.47 -4.77 -3.46 3.41 -1.26 -4.95 113.62 101.07 3a0k n SER 185 Ca 0.24 -2.42 -0.38 0.00 -0.26 0.00 0.00 58.87 56.05 3a0k n SER 185 Cb 0.80 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3a0k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a0k s ALA 186 N -1.75 3.21 0.10 7.33 0.00 0.43 -4.92 121.76 126.16 3a0k s ALA 186 Ca 0.33 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.04 3a0k s ALA 186 Cb 0.22 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.84 3a0k s ALA 186 CO 0.14 -0.26 1.22 0.28 0.00 0.00 0.00 175.76 177.14 3a0k h VAL 187 N 2.53 1.39 -2.74 0.00 2.07 -1.08 -3.46 116.25 114.96 3a0k h VAL 187 Ca -0.48 -2.59 -0.12 0.00 0.82 0.00 0.00 66.70 64.33 3a0k h VAL 187 Cb 1.22 2.60 -0.24 0.00 -1.52 0.00 0.00 31.29 33.35 3a0k h VAL 187 CO 0.64 0.77 -0.24 -0.69 0.02 0.00 0.00 177.57 178.07 3a0k s VAL 188 N -3.06 -0.00 0.03 2.57 1.01 -1.14 -4.87 120.40 114.94 3a0k s VAL 188 Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3a0k s VAL 188 Cb 0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3a0k s VAL 188 CO 0.89 0.00 -0.23 0.00 0.00 0.00 0.00 175.10 175.76 3a0k s ALA 189 N 0.31 1.97 0.07 5.51 0.00 -1.26 0.17 121.76 128.52 3a0k s ALA 189 Ca -0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3a0k s ALA 189 Cb -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 3a0k s ALA 189 CO -0.00 0.46 0.19 -1.54 0.00 0.00 0.00 175.76 174.86 3a0k s SER 190 N -1.10 0.10 0.02 0.00 1.04 0.00 -0.09 113.70 113.67 3a0k s SER 190 Ca 0.09 -0.55 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 3a0k s SER 190 Cb -0.09 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.35 3a0k s SER 190 CO 0.01 -0.66 0.19 0.72 0.98 0.00 0.00 173.24 174.49 3a0k s PHE 191 N -3.34 0.02 0.05 5.02 -0.12 -0.47 -0.57 117.98 118.57 3a0k s PHE 191 Ca 0.01 -0.16 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 3a0k s PHE 191 Cb 0.03 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 3a0k s PHE 191 CO -0.08 -0.38 -0.09 -0.51 -0.05 0.00 0.00 175.22 174.11 3a0k s ASP 192 N -1.77 1.04 -0.02 1.98 1.01 0.98 -0.60 116.67 119.29 3a0k s ASP 192 Ca -0.09 -0.61 -0.04 0.00 0.71 0.00 0.00 52.55 52.51 3a0k s ASP 192 Cb -0.04 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.92 3a0k s ASP 192 CO -0.01 -0.21 0.10 0.00 0.21 0.00 0.00 175.17 175.26 3a0k s ALA 193 N -1.60 -0.24 -0.00 5.23 0.00 0.18 -0.33 121.76 125.00 3a0k s ALA 193 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3a0k s ALA 193 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3a0k s ALA 193 CO 0.00 -0.11 -0.08 0.99 0.00 0.00 0.00 175.76 176.57 3a0k s THR 194 N -0.50 0.62 0.05 0.00 2.01 -0.20 0.48 115.64 118.10 3a0k s THR 194 Ca -0.06 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3a0k s THR 194 Cb -0.04 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.96 3a0k s THR 194 CO 0.00 0.16 0.24 0.72 -0.69 0.00 0.00 174.62 175.06 3a0k s PHE 195 N -0.21 0.01 0.07 4.92 -0.71 0.10 -0.17 117.98 122.00 3a0k s PHE 195 Ca 0.03 -0.24 0.05 0.00 -1.04 0.00 0.00 56.93 55.73 3a0k s PHE 195 Cb -0.03 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 3a0k s PHE 195 CO -0.00 -0.48 -0.05 0.95 -1.34 0.00 0.00 175.22 174.30 3a0k s THR 196 N -2.82 3.72 0.06 -4.49 -4.23 -0.54 0.20 115.64 107.54 3a0k s THR 196 Ca -0.03 -1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 3a0k s THR 196 Cb 0.00 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3a0k s THR 196 CO -0.05 0.18 0.19 0.72 -0.54 0.00 0.00 174.62 175.12 3a0k s PHE 197 N -1.20 0.11 -0.11 3.99 -0.12 0.22 -0.94 117.98 119.92 3a0k s PHE 197 Ca 0.22 -0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 56.65 3a0k s PHE 197 Cb -0.11 -0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.26 3a0k s PHE 197 CO 0.14 -0.49 0.00 -1.17 -0.05 0.00 0.00 175.22 173.66 3a0k s LEU 198 N -2.48 0.79 -0.25 -1.99 0.20 0.12 -0.09 118.68 114.98 3a0k s LEU 198 Ca 0.00 -0.28 -0.06 0.00 0.69 0.00 0.00 54.13 54.48 3a0k s LEU 198 Cb 0.02 -0.52 -0.01 0.00 -0.43 0.00 0.00 46.19 45.25 3a0k s LEU 198 CO -0.08 -0.21 0.04 -0.63 -0.29 0.00 0.00 176.35 175.18 3a0k s ILE 199 N 1.92 3.94 0.12 6.68 1.01 -1.26 -2.00 121.20 131.61 3a0k s ILE 199 Ca 0.04 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.41 3a0k s ILE 199 Cb -0.13 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3a0k s ILE 199 CO -0.06 0.31 -0.26 -0.54 0.00 0.00 0.00 174.94 174.39 3a0k s LYS 200 N 1.55 1.40 -0.13 2.79 1.02 -1.25 0.07 119.74 125.19 3a0k s LYS 200 Ca 0.05 -1.30 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 3a0k s LYS 200 Cb -0.15 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.38 3a0k s LYS 200 CO 0.01 0.44 0.60 0.45 -0.92 0.00 0.00 175.35 175.93 3a0k s SER 201 N -1.96 -0.59 0.00 2.83 0.15 -1.26 -0.07 113.70 112.80 3a0k s SER 201 Ca 0.13 0.87 0.22 0.00 0.70 0.00 0.00 55.95 57.87 3a0k s SER 201 Cb -0.10 0.84 0.64 0.00 -1.71 0.00 0.00 66.02 65.70 3a0k s SER 201 CO 0.05 -0.41 1.50 -0.81 1.20 0.00 0.00 173.24 174.78 3a0k n PRO 202 N 1.80 1.96 -3.11 5.44 -0.04 -1.26 -4.93 135.00 134.86 3a0k n PRO 202 Ca -0.17 -1.44 -0.33 0.00 -0.04 0.00 0.00 63.50 61.52 3a0k n PRO 202 Cb 0.56 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 3a0k n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a0k s ASP 203 N -1.57 6.81 0.22 3.54 -0.00 -1.26 -4.98 116.67 119.43 3a0k s ASP 203 Ca 0.34 1.33 -0.09 0.00 -0.00 0.00 0.00 52.55 54.12 3a0k s ASP 203 Cb 0.19 -2.39 0.18 0.00 -0.00 0.00 0.00 42.92 40.90 3a0k s ASP 203 CO 0.28 -0.20 1.89 0.28 -0.00 0.00 0.00 175.17 177.42 3a0k h SER 204 N 2.33 0.92 -3.54 0.27 0.02 -1.96 -3.33 113.55 108.26 3a0k h SER 204 Ca -0.48 -0.02 -0.63 0.00 -0.84 0.00 0.00 61.79 59.82 3a0k h SER 204 Cb 1.18 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 63.09 3a0k h SER 204 CO 0.65 0.67 -0.73 -1.61 -1.14 0.00 0.00 176.83 174.67 3a0k s GLU 205 N -6.13 1.23 0.72 3.45 8.01 -1.26 -5.10 118.70 119.61 3a0k s GLU 205 Ca -0.13 -1.67 -0.16 0.00 0.01 0.00 0.00 54.97 53.02 3a0k s GLU 205 Cb 0.16 -2.69 0.02 0.00 -4.31 0.00 0.00 34.13 27.31 3a0k s GLU 205 CO 0.79 -1.00 1.17 -0.35 0.01 0.00 0.00 175.26 175.88 3a0k n PRO 206 N 4.28 0.66 -3.88 0.39 -0.04 -1.25 -4.58 135.00 130.58 3a0k n PRO 206 Ca 0.02 0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 3a0k n PRO 206 Cb 0.40 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 3a0k n PRO 206 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a0k s ALA 207 N -1.73 -0.38 -0.14 0.55 0.00 -1.19 -4.11 121.76 114.76 3a0k s ALA 207 Ca 0.77 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.14 3a0k s ALA 207 Cb -0.34 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 3a0k s ALA 207 CO 0.46 -0.72 -0.09 -0.25 0.00 0.00 0.00 175.76 175.16 3a0k n ASP 208 N -0.27 2.63 0.00 0.00 8.00 0.43 -2.42 116.55 124.92 3a0k n ASP 208 Ca -0.08 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3a0k n ASP 208 Cb 0.63 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 3a0k n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a0k n GLY 209 N 2.65 -0.03 2.98 0.44 0.00 -1.03 -1.19 105.19 109.01 3a0k n GLY 209 Ca -0.25 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 3a0k n GLY 209 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a0k s ILE 210 N -2.00 0.07 0.10 -0.61 -4.36 -0.29 -0.80 121.20 113.30 3a0k s ILE 210 Ca 0.00 -0.59 -0.00 0.00 -0.26 0.00 0.00 60.65 59.80 3a0k s ILE 210 Cb 0.00 -0.23 -0.04 0.00 1.25 0.00 0.00 42.46 43.44 3a0k s ILE 210 CO 0.00 -0.32 -0.01 0.42 0.24 0.00 0.00 174.94 175.27 3a0k s THR 211 N -0.99 0.34 -0.09 8.37 -4.23 0.16 0.59 115.64 119.80 3a0k s THR 211 Ca -0.11 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3a0k s THR 211 Cb -0.07 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 3a0k s THR 211 CO -0.00 -0.75 -0.02 0.12 -0.54 0.00 0.00 174.62 173.43 3a0k s PHE 212 N -3.86 3.08 0.10 3.99 5.36 -0.74 -0.99 117.98 124.92 3a0k s PHE 212 Ca 0.15 0.08 -0.09 0.00 -0.96 0.00 0.00 56.93 56.12 3a0k s PHE 212 Cb 0.07 -1.79 -0.00 0.00 -0.34 0.00 0.00 43.02 40.95 3a0k s PHE 212 CO -0.04 0.36 0.20 -0.59 -1.46 0.00 0.00 175.22 173.69 3a0k s PHE 213 N -0.68 0.20 -0.03 10.12 -0.71 0.66 -0.69 117.98 126.86 3a0k s PHE 213 Ca 0.11 -0.62 0.03 0.00 -1.04 0.00 0.00 56.93 55.40 3a0k s PHE 213 Cb -0.12 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 3a0k s PHE 213 CO 0.02 -0.57 -0.11 0.42 -1.34 0.00 0.00 175.22 173.64 3a0k s ILE 214 N -3.88 0.93 0.25 -4.49 1.01 0.10 -0.62 121.20 114.49 3a0k s ILE 214 Ca 0.07 -0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 3a0k s ILE 214 Cb 0.05 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 3a0k s ILE 214 CO -0.09 0.29 0.50 0.00 0.00 0.00 0.00 174.94 175.63 3a0k s ALA 215 N 0.22 -0.33 0.57 9.38 0.00 -0.35 -1.14 121.76 130.10 3a0k s ALA 215 Ca -0.04 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 3a0k s ALA 215 Cb -0.10 1.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.99 3a0k s ALA 215 CO 0.01 -0.87 0.73 0.27 0.00 0.00 0.00 175.76 175.90 3a0k n ASN 216 N -0.39 -0.18 0.24 0.00 6.94 -1.10 -0.24 115.26 120.53 3a0k n ASN 216 Ca -0.02 0.78 0.09 0.00 -0.02 0.00 0.00 54.58 55.42 3a0k n ASN 216 Cb 0.62 -1.27 0.59 0.00 -2.36 0.00 0.00 39.78 37.36 3a0k n ASN 216 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3a0k h THR 217 N 0.41 0.79 -0.75 5.53 1.35 -1.84 -0.58 112.91 117.82 3a0k h THR 217 Ca -0.47 -0.77 -0.27 0.00 -0.55 0.00 0.00 66.41 64.35 3a0k h THR 217 Cb 1.38 1.46 -0.16 0.00 -1.73 0.00 0.00 68.15 69.11 3a0k h THR 217 CO 0.49 0.19 0.34 -0.90 -0.25 0.00 0.00 175.52 175.39 3a0k n ASP 218 N -3.79 4.40 -4.77 5.36 5.75 -1.26 -4.65 116.55 117.59 3a0k n ASP 218 Ca -0.02 -3.20 -0.40 0.00 -0.01 0.00 0.00 54.79 51.16 3a0k n ASP 218 Cb 0.30 -0.75 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 3a0k n ASP 218 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3a0k s THR 219 N -2.84 2.01 0.07 2.12 -1.32 -0.23 -5.01 115.64 110.44 3a0k s THR 219 Ca 0.51 0.01 -0.00 0.00 -1.21 0.00 0.00 61.69 61.00 3a0k s THR 219 Cb 0.41 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 3a0k s THR 219 CO 0.12 0.00 -0.04 -0.44 -2.21 0.00 0.00 174.62 172.05 3a0k s SER 220 N -0.44 0.72 -0.10 8.08 0.01 -1.26 -5.08 113.70 115.63 3a0k s SER 220 Ca 0.61 -1.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 3a0k s SER 220 Cb -0.45 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 3a0k s SER 220 CO 0.58 -0.56 1.76 -0.63 0.41 0.00 0.00 173.24 174.80 3a0k s ILE 221 N -3.82 3.45 0.36 1.44 1.01 -1.26 -4.90 121.20 117.48 3a0k s ILE 221 Ca 0.10 0.53 -0.28 0.00 0.00 0.00 0.00 60.65 60.99 3a0k s ILE 221 Cb 0.07 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 3a0k s ILE 221 CO -0.08 -0.11 1.51 -2.84 0.00 0.00 0.00 174.94 173.43 3a0k s PRO 222 N 4.51 4.11 0.37 2.79 0.02 -1.26 -4.92 135.00 140.62 3a0k s PRO 222 Ca 0.78 2.57 -0.28 0.00 0.02 0.00 0.00 61.00 64.09 3a0k s PRO 222 Cb -0.33 -2.98 -0.11 0.00 0.02 0.00 0.00 34.50 31.10 3a0k s PRO 222 CO 0.32 -0.55 1.48 0.45 -0.33 0.00 0.00 177.00 178.37 3a0k s SER 223 N -0.01 6.37 0.00 2.53 0.15 -1.26 -1.77 113.70 119.72 3a0k s SER 223 Ca 0.55 3.02 0.00 0.00 0.70 0.00 0.00 55.95 60.22 3a0k s SER 223 Cb -0.47 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 3a0k s SER 223 CO 0.60 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3a0k n GLY 224 N 0.58 0.66 1.51 9.45 0.00 -1.26 -4.67 105.19 111.46 3a0k n GLY 224 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3a0k n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a0k n SER 225 N 0.24 4.47 -2.99 1.61 3.41 -0.73 -4.67 113.62 114.97 3a0k n SER 225 Ca 0.00 -2.35 -0.15 0.00 -0.26 0.00 0.00 58.87 56.12 3a0k n SER 225 Cb 0.00 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 63.51 3a0k n SER 225 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3a0k n SER 226 N 1.20 -0.82 0.00 4.04 7.64 -1.26 -0.23 113.62 124.18 3a0k n SER 226 Ca 0.25 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3a0k n SER 226 Cb 0.82 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 3a0k n SER 226 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0k n GLY 227 N -0.30 3.37 0.00 0.23 0.00 -1.09 -1.27 105.19 106.14 3a0k n GLY 227 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3a0k n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a0k n ARG 228 N 14.00 0.02 0.00 1.61 1.85 -1.26 -1.49 116.66 131.39 3a0k n ARG 228 Ca 0.00 0.29 0.14 0.00 -1.00 0.00 0.00 57.85 57.28 3a0k n ARG 228 Cb 0.00 -1.50 0.63 0.00 -1.05 0.00 0.00 32.46 30.54 3a0k n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3a0k n LEU 229 N -1.47 1.02 -1.58 2.89 4.77 -0.39 -4.91 117.00 117.32 3a0k n LEU 229 Ca 0.03 -0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 55.49 3a0k n LEU 229 Cb 0.13 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3a0k n LEU 229 CO 0.10 0.17 -0.19 0.18 -1.33 0.00 0.00 177.39 176.32 3a0k n LEU 230 N -0.25 -1.48 0.00 2.23 4.77 -0.56 -0.98 117.00 120.73 3a0k n LEU 230 Ca 0.20 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3a0k n LEU 230 Cb 0.29 -2.76 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 3a0k n LEU 230 CO 0.18 -0.99 0.00 0.61 -1.33 0.00 0.00 177.39 175.86 3a0k n GLY 231 N -0.56 0.69 0.06 -0.72 0.00 0.68 -4.10 105.19 101.24 3a0k n GLY 231 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 3a0k n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0k n LEU 232 N 0.00 0.85 -4.25 0.99 4.32 -0.15 -4.36 117.00 114.40 3a0k n LEU 232 Ca 0.00 -0.02 -0.21 0.00 -0.02 0.00 0.00 56.01 55.75 3a0k n LEU 232 Cb 0.01 0.05 -0.12 0.00 -1.62 0.00 0.00 43.42 41.74 3a0k n LEU 232 CO 0.00 0.40 -0.49 -0.36 -1.22 0.00 0.00 177.39 175.72 3a0k s PHE 233 N -2.26 1.59 -0.74 -1.77 0.08 -1.17 -4.72 117.98 108.98 3a0k s PHE 233 Ca -0.09 -0.45 0.25 0.00 0.12 0.00 0.00 56.93 56.76 3a0k s PHE 233 Cb 0.04 -0.86 0.60 0.00 -0.57 0.00 0.00 43.02 42.22 3a0k s PHE 233 CO 0.40 0.17 1.54 -0.35 -0.10 0.00 0.00 175.22 176.88 3a0k n PRO 234 N 1.01 0.23 -3.27 0.24 -0.04 -1.26 -4.00 135.00 127.91 3a0k n PRO 234 Ca -0.19 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 3a0k n PRO 234 Cb 0.54 -1.70 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 3a0k n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3a0k n ASP 235 N -2.06 -1.85 -1.63 3.54 5.68 -1.26 -4.69 116.55 114.28 3a0k n ASP 235 Ca 0.05 -2.31 0.06 0.00 -0.50 0.00 0.00 54.79 52.09 3a0k n ASP 235 Cb 0.42 3.09 0.34 0.00 -1.14 0.00 0.00 41.12 43.83 3a0k n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a0k n ALA 236 N -1.02 3.56 0.42 2.12 0.00 -1.26 -4.70 120.51 119.63 3a0k n ALA 236 Ca -0.14 -1.57 0.03 0.00 0.00 0.00 0.00 53.44 51.77 3a0k n ALA 236 Cb 0.48 -1.09 0.20 0.00 0.00 0.00 0.00 19.45 19.04 3a0k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59