#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 3.06 -0.20 0.00 1.01 -1.26 -5.02 116.67 114.26 3a0k s ASP 2 Ca 0.00 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.13 3a0k s ASP 2 Cb 0.00 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 3a0k s ASP 2 CO 0.00 -2.97 -0.04 -0.89 0.21 0.00 0.00 175.17 171.48 3a0k s THR 3 N -2.72 3.52 -0.04 -1.27 2.01 -1.26 -5.01 115.64 110.87 3a0k s THR 3 Ca 0.65 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.23 3a0k s THR 3 Cb -0.21 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 3a0k s THR 3 CO 0.58 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 174.18 3a0k s ILE 4 N 1.14 1.20 -0.05 1.82 -1.09 -1.26 -2.70 121.20 120.26 3a0k s ILE 4 Ca 0.02 -0.59 0.05 0.00 -2.23 0.00 0.00 60.65 57.90 3a0k s ILE 4 Cb -0.15 -1.04 -0.00 0.00 -1.58 0.00 0.00 42.46 39.69 3a0k s ILE 4 CO -0.00 0.35 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.17 3a0k s VAL 5 N 0.09 1.64 0.05 2.92 1.01 -0.27 0.47 120.40 126.32 3a0k s VAL 5 Ca -0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3a0k s VAL 5 Cb -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3a0k s VAL 5 CO 0.02 0.47 0.19 0.00 0.00 0.00 0.00 175.10 175.77 3a0k s ALA 6 N 0.05 -0.30 -0.29 5.51 0.00 0.35 0.13 121.76 127.20 3a0k s ALA 6 Ca -0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 3a0k s ALA 6 Cb -0.13 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.35 3a0k s ALA 6 CO 0.03 -0.41 0.05 0.08 0.00 0.00 0.00 175.76 175.52 3a0k s VAL 7 N -2.98 3.75 -0.06 0.00 1.01 0.69 0.40 120.40 123.20 3a0k s VAL 7 Ca -0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3a0k s VAL 7 Cb 0.01 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3a0k s VAL 7 CO -0.06 0.09 0.22 -1.83 0.00 0.00 0.00 175.10 173.51 3a0k s GLU 8 N 1.46 3.55 -0.52 2.72 -1.05 0.12 -1.60 118.70 123.39 3a0k s GLU 8 Ca 0.02 -0.04 -0.07 0.00 -0.15 0.00 0.00 54.97 54.73 3a0k s GLU 8 Cb -0.17 -3.16 0.13 0.00 -0.44 0.00 0.00 34.13 30.49 3a0k s GLU 8 CO 0.01 0.73 0.37 -0.51 0.95 0.00 0.00 175.26 176.81 3a0k s LEU 9 N -1.26 5.58 -0.44 1.83 1.02 0.24 -0.17 118.68 125.48 3a0k s LEU 9 Ca 0.20 -2.21 -0.13 0.00 0.02 0.00 0.00 54.13 52.02 3a0k s LEU 9 Cb -0.13 -1.95 0.06 0.00 0.02 0.00 0.00 46.19 44.19 3a0k s LEU 9 CO 0.09 -0.58 0.32 -0.62 0.02 0.00 0.00 176.35 175.58 3a0k s ASP 10 N 2.00 5.92 0.41 2.29 -1.08 0.50 -0.88 116.67 125.83 3a0k s ASP 10 Ca 0.10 -1.31 0.22 0.00 -0.52 0.00 0.00 52.55 51.03 3a0k s ASP 10 Cb -0.23 -2.09 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 3a0k s ASP 10 CO -0.03 -0.56 1.62 0.77 0.52 0.00 0.00 175.17 177.49 3a0k h SER 11 N 8.58 0.00 -3.24 -0.34 4.64 -1.53 -0.15 113.55 121.52 3a0k h SER 11 Ca -0.26 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.45 3a0k h SER 11 Cb 1.10 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.85 3a0k h SER 11 CO 0.80 0.15 -0.85 -0.47 -0.87 0.00 0.00 176.83 175.60 3a0k s TYR 12 N -3.23 2.19 -0.48 4.77 5.04 -1.19 -4.21 117.35 120.24 3a0k s TYR 12 Ca 0.05 -1.07 -0.28 0.00 -2.44 0.00 0.00 57.07 53.33 3a0k s TYR 12 Cb 0.07 -1.55 0.03 0.00 0.35 0.00 0.00 41.96 40.85 3a0k s TYR 12 CO 0.67 -0.53 1.09 -1.25 -1.34 0.00 0.00 175.55 174.20 3a0k s PRO 13 N 0.97 3.66 -1.00 4.97 0.04 -1.26 -4.91 135.00 137.45 3a0k s PRO 13 Ca -0.06 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.29 3a0k s PRO 13 Cb -0.15 -3.92 0.22 0.00 0.04 0.00 0.00 34.50 30.69 3a0k s PRO 13 CO -0.02 -1.37 1.05 -0.80 0.04 0.00 0.00 177.00 175.90 3a0k s ASN 14 N 2.46 6.99 0.48 6.66 -0.87 -1.26 -4.78 114.94 124.62 3a0k s ASN 14 Ca 0.45 -2.96 0.29 0.00 -1.57 0.00 0.00 52.86 49.08 3a0k s ASN 14 Cb -0.08 -2.27 0.97 0.00 -0.02 0.00 0.00 41.25 39.85 3a0k s ASN 14 CO 0.30 -0.58 1.83 0.71 -2.57 0.00 0.00 177.10 176.79 3a0k h THR 15 N 4.54 0.00 -0.63 1.60 1.35 -1.86 -0.13 112.91 117.78 3a0k h THR 15 Ca 0.17 -0.66 0.11 0.00 -0.55 0.00 0.00 66.41 65.49 3a0k h THR 15 Cb 0.95 1.64 -0.11 0.00 -1.73 0.00 0.00 68.15 68.91 3a0k h THR 15 CO 0.98 0.00 -0.21 -0.67 -0.25 0.00 0.00 175.52 175.37 3a0k n ASP 16 N -3.00 -0.33 -1.53 5.36 2.03 -1.26 -2.34 116.55 115.47 3a0k n ASP 16 Ca 0.02 1.10 -0.14 0.00 0.52 0.00 0.00 54.79 56.29 3a0k n ASP 16 Cb 0.38 -0.28 0.10 0.00 -0.72 0.00 0.00 41.12 40.60 3a0k n ASP 16 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3a0k n ILE 17 N -4.97 2.50 -0.82 5.18 -5.35 -0.13 -4.94 119.36 110.83 3a0k n ILE 17 Ca 0.08 -3.71 0.00 0.00 -0.27 0.00 0.00 62.75 58.85 3a0k n ILE 17 Cb 0.28 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 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 -0.89 0.65 3.75 3.28 0.00 -0.99 -4.70 105.19 106.29 3a0k n GLY 18 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.19 5.12 0.89 1.61 1.01 -0.78 -4.88 116.67 117.45 3a0k s ASP 19 Ca 0.00 2.67 -0.11 0.00 0.71 0.00 0.00 52.55 55.82 3a0k s ASP 19 Cb 0.00 -2.63 0.13 0.00 1.01 0.00 0.00 42.92 41.43 3a0k s ASP 19 CO 0.00 -1.66 1.10 -2.16 0.21 0.00 0.00 175.17 172.65 3a0k s PRO 20 N -3.06 1.26 -0.26 8.23 0.04 -1.26 -4.13 135.00 135.81 3a0k s PRO 20 Ca 0.75 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 3a0k s PRO 20 Cb -0.38 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.57 3a0k s PRO 20 CO 0.44 -2.31 1.90 -1.13 0.04 0.00 0.00 177.00 175.94 3a0k n SER 21 N -3.96 5.79 -3.81 6.66 3.41 -1.26 -4.62 113.62 115.82 3a0k n SER 21 Ca 0.08 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.67 3a0k n SER 21 Cb 0.54 -0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.54 0.09 0.55 7.33 -0.85 -1.26 -4.92 117.35 116.74 3a0k s TYR 22 Ca 0.26 -0.45 -0.20 0.00 -0.52 0.00 0.00 57.07 56.16 3a0k s TYR 22 Cb 0.21 0.13 -0.06 0.00 0.38 0.00 0.00 41.96 42.61 3a0k s TYR 22 CO 0.00 -0.74 1.02 -2.30 -1.52 0.00 0.00 175.55 172.02 3a0k n PRO 23 N -0.22 1.12 -3.45 -3.49 -0.02 -1.26 -4.59 135.00 123.08 3a0k n PRO 23 Ca -0.11 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 3a0k n PRO 23 Cb 0.63 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.43 -0.58 0.07 6.00 -3.43 -0.07 -0.85 115.29 115.02 3a0k s HIS 24 Ca 0.71 0.59 0.01 0.00 -0.80 0.00 0.00 55.06 55.58 3a0k s HIS 24 Cb -0.45 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 3a0k s HIS 24 CO 0.50 -0.76 0.18 0.96 -2.00 0.00 0.00 174.74 173.61 3a0k s ILE 25 N -2.88 5.12 0.03 -5.38 -4.36 -0.00 -0.37 121.20 113.35 3a0k s ILE 25 Ca -0.03 -0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 59.75 3a0k s ILE 25 Cb -0.01 -3.50 -0.00 0.00 1.25 0.00 0.00 42.46 40.20 3a0k s ILE 25 CO -0.05 0.11 0.15 -0.83 0.24 0.00 0.00 174.94 174.56 3a0k s GLY 26 N -2.54 0.08 -0.26 6.27 0.00 0.77 -0.61 107.32 111.02 3a0k s GLY 26 Ca 0.33 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 3a0k s GLY 26 CO 0.26 -0.47 0.09 -0.42 0.00 0.00 0.00 173.10 172.55 3a0k s ILE 27 N -2.27 4.39 -0.15 0.90 -1.09 -0.15 0.15 121.20 122.97 3a0k s ILE 27 Ca -0.08 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3a0k s ILE 27 Cb -0.03 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3a0k s ILE 27 CO -0.03 0.30 -0.05 -1.81 -1.23 0.00 0.00 174.94 172.12 3a0k s ASP 28 N 1.62 4.69 -0.32 3.58 1.01 0.16 0.75 116.67 128.17 3a0k s ASP 28 Ca 0.06 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.17 3a0k s ASP 28 Cb -0.15 -1.76 0.10 0.00 1.01 0.00 0.00 42.92 42.12 3a0k s ASP 28 CO 0.04 0.17 0.09 -0.63 0.21 0.00 0.00 175.17 175.05 3a0k s ILE 29 N 0.38 1.22 -1.62 0.77 -1.09 -1.26 -0.49 121.20 119.10 3a0k s ILE 29 Ca -0.05 -1.63 0.00 0.00 -2.23 0.00 0.00 60.65 56.74 3a0k s ILE 29 Cb -0.14 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 3a0k s ILE 29 CO 0.03 -0.66 0.00 0.29 -1.23 0.00 0.00 174.94 173.37 3a0k n LYS 30 N 4.70 -1.14 -3.56 2.79 5.02 0.18 -4.93 118.16 121.22 3a0k n LYS 30 Ca -0.01 1.03 -0.16 0.00 -2.02 0.00 0.00 58.31 57.16 3a0k n LYS 30 Cb 0.42 -5.21 -0.06 0.00 -0.02 0.00 0.00 35.03 30.15 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 -2.79 -0.66 0.39 4.39 0.15 -1.26 -4.95 113.70 108.96 3a0k s SER 31 Ca 0.00 0.92 0.28 0.00 0.70 0.00 0.00 55.95 57.85 3a0k s SER 31 Cb 0.00 0.81 1.27 0.00 -1.71 0.00 0.00 66.02 66.39 3a0k s SER 31 CO 0.00 -0.48 1.84 -0.29 1.20 0.00 0.00 173.24 175.51 3a0k h ILE 32 N 3.28 0.00 -2.83 6.45 6.09 -1.84 -3.39 117.51 125.27 3a0k h ILE 32 Ca -0.27 -0.23 -0.63 0.00 -1.37 0.00 0.00 64.86 62.35 3a0k h ILE 32 Cb 1.15 1.01 -0.15 0.00 0.47 0.00 0.00 36.82 39.30 3a0k h ILE 32 CO 0.28 0.00 0.48 -0.13 -3.07 0.00 0.00 178.15 175.71 3a0k s ARG 33 N -3.54 3.15 0.48 2.19 0.52 -1.26 -4.94 118.95 115.55 3a0k s ARG 33 Ca 0.01 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 3a0k s ARG 33 Cb 0.09 -4.18 -0.08 0.00 0.52 0.00 0.00 34.95 31.29 3a0k s ARG 33 CO 0.39 -1.68 1.17 0.43 0.02 0.00 0.00 175.30 175.63 3a0k n SER 34 N 7.44 1.96 0.21 0.23 7.64 -1.26 -4.76 113.62 125.08 3a0k n SER 34 Ca -0.03 1.01 0.12 0.00 1.01 0.00 0.00 58.87 60.98 3a0k n SER 34 Cb 0.46 -1.46 0.18 0.00 -1.01 0.00 0.00 64.21 62.38 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 1.55 0.00 -2.43 1.43 1.79 0.00 -3.45 116.57 115.46 3a0k h LYS 35 Ca -0.48 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.91 3a0k h LYS 35 Cb 1.32 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.76 3a0k h LYS 35 CO 0.57 0.00 -0.05 -1.12 -1.08 0.00 0.00 179.45 177.77 3a0k s SER 36 N -6.09 -0.52 0.11 0.86 0.01 -1.19 -4.99 113.70 101.89 3a0k s SER 36 Ca 0.07 0.83 -0.04 0.00 1.31 0.00 0.00 55.95 58.12 3a0k s SER 36 Cb 0.06 0.84 -0.02 0.00 0.21 0.00 0.00 66.02 67.10 3a0k s SER 36 CO 0.67 -0.33 0.11 0.42 0.41 0.00 0.00 173.24 174.52 3a0k s THR 37 N -0.35 0.13 -0.09 1.44 -4.23 -1.26 -0.98 115.64 110.31 3a0k s THR 37 Ca -0.05 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3a0k s THR 37 Cb -0.03 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.12 3a0k s THR 37 CO 0.03 -0.61 0.26 0.00 -0.54 0.00 0.00 174.62 173.76 3a0k s ALA 38 N -3.96 -0.63 0.09 3.99 0.00 0.22 -4.96 121.76 116.50 3a0k s ALA 38 Ca 0.14 0.69 -0.35 0.00 0.00 0.00 0.00 51.96 52.45 3a0k s ALA 38 Cb 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 23.12 22.65 3a0k s ALA 38 CO -0.04 -0.13 1.60 -2.13 0.00 0.00 0.00 175.76 175.06 3a0k n ARG 39 N 2.86 1.94 -3.86 0.00 0.63 -1.26 -0.82 116.66 116.15 3a0k n ARG 39 Ca -0.13 0.70 -0.36 0.00 -0.92 0.00 0.00 57.85 57.15 3a0k n ARG 39 Cb 0.58 -2.46 -0.14 0.00 0.45 0.00 0.00 32.46 30.89 3a0k n ARG 39 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 3a0k s TRP 40 N 1.51 3.02 -0.87 -0.14 -0.00 -0.03 -4.77 118.94 117.67 3a0k s TRP 40 Ca 0.83 -0.90 -0.20 0.00 -0.00 0.00 0.00 56.10 55.82 3a0k s TRP 40 Cb -0.74 -2.15 0.10 0.00 -0.00 0.00 0.00 33.47 30.68 3a0k s TRP 40 CO 0.43 -0.53 1.14 -0.80 -0.00 0.00 0.00 176.95 177.19 3a0k s ASN 41 N 1.49 6.49 0.65 5.86 0.02 -1.26 -4.46 114.94 123.73 3a0k s ASN 41 Ca 0.05 -1.66 -0.16 0.00 -1.02 0.00 0.00 52.86 50.07 3a0k s ASN 41 Cb -0.15 -2.43 -0.01 0.00 0.02 0.00 0.00 41.25 38.68 3a0k s ASN 41 CO -0.01 -1.24 1.13 -0.04 0.02 0.00 0.00 177.10 176.96 3a0k s MET 42 N 3.44 2.80 -0.58 -0.60 -1.94 -1.26 -4.97 119.30 116.19 3a0k s MET 42 Ca 0.32 1.50 0.05 0.00 -1.71 0.00 0.00 55.69 55.85 3a0k s MET 42 Cb -0.07 -1.94 0.18 0.00 2.01 0.00 0.00 34.83 35.01 3a0k s MET 42 CO -0.04 -1.26 0.46 1.04 -0.01 0.00 0.00 175.02 175.20 3a0k n GLN 43 N -2.24 1.24 -1.65 2.03 6.02 -1.26 -5.09 117.38 116.43 3a0k n GLN 43 Ca 0.11 -3.97 -0.44 0.00 -0.01 0.00 0.00 57.00 52.69 3a0k n GLN 43 Cb 0.51 -2.02 -0.01 0.00 1.02 0.00 0.00 30.24 29.74 3a0k n GLN 43 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3a0k n THR 44 N 2.17 1.74 -0.46 5.09 -1.04 -1.26 -0.88 114.28 119.65 3a0k n THR 44 Ca 0.24 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3a0k n THR 44 Cb 0.41 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 3a0k n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a0k n GLY 45 N 1.24 1.18 3.52 3.41 0.00 0.25 -4.98 105.19 109.82 3a0k n GLY 45 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.34 1.99 0.04 1.61 -0.14 -0.05 -4.96 119.74 117.88 3a0k s LYS 46 Ca 0.00 -1.07 -0.31 0.00 -1.36 0.00 0.00 55.97 53.23 3a0k s LYS 46 Cb 0.00 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 3a0k s LYS 46 CO 0.00 0.50 1.37 0.08 -0.76 0.00 0.00 175.35 176.55 3a0k s VAL 47 N -1.14 3.62 0.15 3.17 1.01 -1.26 -4.37 120.40 121.58 3a0k s VAL 47 Ca 0.19 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.31 3a0k s VAL 47 Cb -0.11 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3a0k s VAL 47 CO 0.11 0.03 0.06 -0.83 0.00 0.00 0.00 175.10 174.48 3a0k s GLY 48 N 1.55 1.78 -0.05 4.51 0.00 0.18 -4.30 107.32 110.99 3a0k s GLY 48 Ca 0.63 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 44.18 3a0k s GLY 48 CO 0.28 -1.23 -0.20 -1.59 0.00 0.00 0.00 173.10 170.36 3a0k s THR 49 N -1.63 2.56 0.02 0.90 2.01 0.66 -0.49 115.64 119.66 3a0k s THR 49 Ca 0.29 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.47 3a0k s THR 49 Cb -0.10 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 3a0k s THR 49 CO 0.21 0.58 -0.26 0.00 -0.69 0.00 0.00 174.62 174.46 3a0k s ALA 50 N -0.48 2.17 -0.02 7.40 0.00 0.21 -0.39 121.76 130.65 3a0k s ALA 50 Ca 0.06 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3a0k s ALA 50 Cb -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3a0k s ALA 50 CO 0.01 0.52 -0.07 -1.01 0.00 0.00 0.00 175.76 175.21 3a0k s HIS 51 N -0.73 0.74 -0.02 0.00 3.76 0.50 -0.93 115.29 118.62 3a0k s HIS 51 Ca 0.11 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 54.88 3a0k s HIS 51 Cb -0.10 -0.52 -0.00 0.00 1.11 0.00 0.00 32.58 33.07 3a0k s HIS 51 CO 0.01 -0.06 -0.09 0.42 -0.85 0.00 0.00 174.74 174.17 3a0k s ILE 52 N 0.09 0.75 0.02 0.60 1.09 0.15 -0.62 121.20 123.28 3a0k s ILE 52 Ca -0.01 -0.37 -0.01 0.00 -1.10 0.00 0.00 60.65 59.16 3a0k s ILE 52 Cb -0.06 -0.66 -0.02 0.00 -1.06 0.00 0.00 42.46 40.67 3a0k s ILE 52 CO -0.00 0.23 -0.00 -0.44 -0.10 0.00 0.00 174.94 174.63 3a0k s SER 53 N 0.02 0.20 -0.08 3.58 0.01 -0.04 -0.10 113.70 117.28 3a0k s SER 53 Ca -0.00 -0.44 -0.21 0.00 1.31 0.00 0.00 55.95 56.61 3a0k s SER 53 Cb -0.06 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.33 3a0k s SER 53 CO 0.00 -0.31 0.49 -0.47 0.41 0.00 0.00 173.24 173.36 3a0k s TYR 54 N -1.41 -0.45 0.02 2.43 5.04 0.17 -1.18 117.35 121.97 3a0k s TYR 54 Ca -0.15 0.88 -0.06 0.00 -2.44 0.00 0.00 57.07 55.30 3a0k s TYR 54 Cb -0.09 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 3a0k s TYR 54 CO -0.01 -0.42 0.10 0.54 -1.34 0.00 0.00 175.55 174.42 3a0k s ASN 55 N -0.78 0.13 0.16 4.32 2.20 -1.26 -0.71 114.94 118.99 3a0k s ASN 55 Ca -0.09 -0.41 0.26 0.00 -0.94 0.00 0.00 52.86 51.69 3a0k s ASN 55 Cb -0.03 0.20 0.92 0.00 -2.00 0.00 0.00 41.25 40.35 3a0k s ASN 55 CO 0.05 -0.43 1.80 -1.54 -2.94 0.00 0.00 177.10 174.04 3a0k n SER 56 N 1.12 0.59 -0.05 3.54 3.41 0.56 0.11 113.62 122.90 3a0k n SER 56 Ca -0.21 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 58.81 3a0k n SER 56 Cb 0.57 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.75 -0.35 -3.33 2.07 -1.89 -3.34 116.25 111.17 3a0k h VAL 57 Ca 0.00 -2.37 -0.12 0.00 0.82 0.00 0.00 66.70 65.03 3a0k h VAL 57 Cb 0.64 3.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 3a0k h VAL 57 CO 0.00 0.62 -0.26 0.00 0.02 0.00 0.00 177.57 177.95 3a0k h ALA 58 N 0.01 0.88 -5.53 1.67 0.00 -1.89 -3.46 119.26 110.93 3a0k h ALA 58 Ca -0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 54.91 54.15 3a0k h ALA 58 Cb 1.09 -0.14 0.14 0.00 0.00 0.00 0.00 17.79 18.88 3a0k h ALA 58 CO 0.02 0.63 -0.67 1.63 0.00 0.00 0.00 179.25 180.85 3a0k n LYS 59 N -4.10 -7.09 -3.72 0.00 5.02 0.29 -4.91 118.16 103.66 3a0k n LYS 59 Ca -0.00 0.79 -0.26 0.00 -2.02 0.00 0.00 58.31 56.82 3a0k n LYS 59 Cb 0.45 -5.70 -0.17 0.00 -0.02 0.00 0.00 35.03 29.59 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 -5.89 0.52 -0.09 1.97 3.52 -1.25 -0.94 118.95 116.79 3a0k s ARG 60 Ca 0.35 -0.24 -0.22 0.00 -0.13 0.00 0.00 55.73 55.50 3a0k s ARG 60 Cb -0.15 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 3a0k s ARG 60 CO 0.69 -0.57 0.63 -1.17 -0.81 0.00 0.00 175.30 174.06 3a0k s LEU 61 N 1.94 4.29 0.07 -0.88 2.96 0.39 -4.23 118.68 123.21 3a0k s LEU 61 Ca 0.01 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3a0k s LEU 61 Cb -0.16 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3a0k s LEU 61 CO -0.07 -0.09 -0.05 0.42 -1.32 0.00 0.00 176.35 175.23 3a0k s THR 62 N 0.84 0.46 0.01 3.68 -4.23 -0.32 0.09 115.64 116.18 3a0k s THR 62 Ca 0.33 -1.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 3a0k s THR 62 Cb -0.17 -1.33 -0.00 0.00 1.34 0.00 0.00 72.50 72.35 3a0k s THR 62 CO 0.15 -0.80 0.14 0.00 -0.54 0.00 0.00 174.62 173.57 3a0k s ALA 63 N -3.16 -0.29 0.01 3.99 0.00 0.91 -0.86 121.76 122.36 3a0k s ALA 63 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3a0k s ALA 63 Cb 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3a0k s ALA 63 CO -0.05 -0.25 -0.03 0.08 0.00 0.00 0.00 175.76 175.51 3a0k s VAL 64 N -1.78 0.22 -0.02 0.00 1.01 0.20 -0.83 120.40 119.19 3a0k s VAL 64 Ca -0.12 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3a0k s VAL 64 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3a0k s VAL 64 CO -0.00 -0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 174.16 3a0k s VAL 65 N -0.36 1.55 0.12 2.92 1.01 0.46 -0.37 120.40 125.72 3a0k s VAL 65 Ca -0.02 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 3a0k s VAL 65 Cb -0.03 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3a0k s VAL 65 CO -0.00 0.44 0.27 -0.94 0.00 0.00 0.00 175.10 174.87 3a0k s SER 66 N -0.32 0.01 0.20 3.32 1.04 0.48 -1.04 113.70 117.38 3a0k s SER 66 Ca 0.04 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 55.92 3a0k s SER 66 Cb -0.09 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3a0k s SER 66 CO 0.00 -0.81 -0.11 -0.31 0.98 0.00 0.00 173.24 172.99 3a0k s TYR 67 N -3.87 1.59 0.01 5.02 2.02 -1.26 -0.25 117.35 120.61 3a0k s TYR 67 Ca 0.07 -0.67 -0.37 0.00 -0.37 0.00 0.00 57.07 55.73 3a0k s TYR 67 Cb 0.04 -0.79 -0.16 0.00 -0.40 0.00 0.00 41.96 40.64 3a0k s TYR 67 CO -0.08 0.23 1.46 0.45 -1.57 0.00 0.00 175.55 176.04 3a0k n SER 68 N -0.35 1.97 0.00 2.29 2.88 -1.26 -1.27 113.62 117.87 3a0k n SER 68 Ca -0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 3a0k n SER 68 Cb 0.61 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 3a0k n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a0k n GLY 69 N 2.99 0.57 3.59 0.46 0.00 -1.26 -4.97 105.19 106.57 3a0k n GLY 69 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3a0k n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a0k s SER 70 N -2.32 4.44 0.40 1.61 1.04 -0.40 -5.10 113.70 113.37 3a0k s SER 70 Ca 0.00 -0.38 -0.27 0.00 0.48 0.00 0.00 55.95 55.78 3a0k s SER 70 Cb 0.00 -0.86 -0.09 0.00 0.10 0.00 0.00 66.02 65.17 3a0k s SER 70 CO 0.00 0.17 1.38 -0.44 0.98 0.00 0.00 173.24 175.33 3a0k s SER 71 N -2.26 6.25 0.61 7.02 0.01 -1.26 -4.57 113.70 119.49 3a0k s SER 71 Ca 0.22 2.82 -0.03 0.00 1.31 0.00 0.00 55.95 60.27 3a0k s SER 71 Cb -0.11 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.51 3a0k s SER 71 CO 0.14 -0.91 0.88 -0.94 0.41 0.00 0.00 173.24 172.82 3a0k s SER 72 N -0.52 5.16 -0.08 2.44 1.04 -1.26 -4.73 113.70 115.76 3a0k s SER 72 Ca 0.56 0.29 0.04 0.00 0.48 0.00 0.00 55.95 57.32 3a0k s SER 72 Cb -0.42 -1.11 -0.00 0.00 0.10 0.00 0.00 66.02 64.59 3a0k s SER 72 CO 0.55 -1.29 -0.22 -0.89 0.98 0.00 0.00 173.24 172.36 3a0k s THR 73 N -2.97 1.91 0.17 2.02 2.01 -0.21 -4.96 115.64 113.61 3a0k s THR 73 Ca 0.57 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.72 3a0k s THR 73 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3a0k s THR 73 CO 0.42 0.53 -0.20 0.42 -0.69 0.00 0.00 174.62 175.10 3a0k s THR 74 N 0.24 1.96 -0.03 -0.82 -4.23 -1.26 -0.40 115.64 111.09 3a0k s THR 74 Ca -0.14 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 3a0k s THR 74 Cb -0.16 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.78 3a0k s THR 74 CO 0.07 -0.25 0.18 0.54 -0.54 0.00 0.00 174.62 174.61 3a0k s VAL 75 N -1.90 0.04 0.05 2.29 0.11 -0.01 -4.65 120.40 116.33 3a0k s VAL 75 Ca 0.17 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3a0k s VAL 75 Cb -0.07 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3a0k s VAL 75 CO 0.07 -0.19 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.18 3a0k s SER 76 N -0.67 0.52 -0.21 3.54 0.01 -1.26 -0.06 113.70 115.57 3a0k s SER 76 Ca -0.08 -0.97 -0.10 0.00 1.31 0.00 0.00 55.95 56.11 3a0k s SER 76 Cb -0.04 0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.45 3a0k s SER 76 CO 0.01 -0.57 0.49 -0.47 0.41 0.00 0.00 173.24 173.11 3a0k s TYR 77 N -3.77 -0.81 -0.14 2.43 5.04 0.11 -4.84 117.35 115.38 3a0k s TYR 77 Ca 0.06 1.61 -0.29 0.00 -2.44 0.00 0.00 57.07 56.01 3a0k s TYR 77 Cb 0.07 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.75 3a0k s TYR 77 CO -0.09 -0.44 1.43 -0.51 -1.34 0.00 0.00 175.55 174.60 3a0k s ASP 78 N 1.82 6.78 -0.27 4.32 1.01 -1.26 -0.46 116.67 128.60 3a0k s ASP 78 Ca -0.08 1.84 -0.23 0.00 0.71 0.00 0.00 52.55 54.80 3a0k s ASP 78 Cb -0.09 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.39 3a0k s ASP 78 CO -0.15 -0.88 0.75 0.54 0.21 0.00 0.00 175.17 175.64 3a0k s VAL 79 N 3.90 0.00 -0.52 -1.27 0.11 -0.11 -4.95 120.40 117.55 3a0k s VAL 79 Ca 0.63 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.52 3a0k s VAL 79 Cb -0.26 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.70 3a0k s VAL 79 CO 0.22 0.00 0.49 -0.62 -3.33 0.00 0.00 175.10 171.86 3a0k s ASP 80 N 0.70 6.18 0.60 3.54 -1.08 -1.26 -4.02 116.67 121.33 3a0k s ASP 80 Ca -0.02 -1.59 0.33 0.00 -0.52 0.00 0.00 52.55 50.74 3a0k s ASP 80 Cb -0.05 -2.21 1.91 0.00 -1.46 0.00 0.00 42.92 41.11 3a0k s ASP 80 CO -0.05 -0.82 2.26 -0.07 0.52 0.00 0.00 175.17 177.01 3a0k h LEU 81 N 8.98 0.00 -0.78 -1.34 3.38 -1.95 0.29 115.31 123.89 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 1.00 0.01 0.00 0.71 0.09 0.00 0.00 178.44 180.25 3a0k h THR 82 N 0.00 0.00 -0.01 0.22 1.35 -1.91 0.17 112.91 112.73 3a0k h THR 82 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3a0k h THR 82 Cb 0.04 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3a0k h THR 82 CO 0.00 0.00 -0.13 0.59 -0.25 0.00 0.00 175.52 175.73 3a0k n ASN 83 N -2.36 1.06 -0.01 5.36 5.03 0.09 -4.47 115.26 119.96 3a0k n ASN 83 Ca 0.02 -1.05 -0.02 0.00 0.87 0.00 0.00 54.58 54.40 3a0k n ASN 83 Cb 0.25 0.05 -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 -0.43 0.08 -3.73 2.41 0.31 0.01 -5.05 118.33 111.94 3a0k n VAL 84 Ca 0.15 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 64.19 3a0k n VAL 84 Cb 0.33 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.83 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 -5.96 4.24 0.94 7.52 1.43 0.38 -4.96 118.68 122.27 3a0k s LEU 85 Ca -0.02 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3a0k s LEU 85 Cb 0.01 -3.12 0.15 0.00 0.03 0.00 0.00 46.19 43.26 3a0k s LEU 85 CO 0.03 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 3a0k s PRO 86 N -3.38 0.91 0.43 1.29 0.04 -1.26 -4.74 135.00 128.29 3a0k s PRO 86 Ca 0.38 0.94 0.21 0.00 0.04 0.00 0.00 61.00 62.57 3a0k s PRO 86 Cb -0.11 -1.76 0.94 0.00 0.04 0.00 0.00 34.50 33.62 3a0k s PRO 86 CO 0.29 -2.51 1.86 1.05 0.04 0.00 0.00 177.00 177.73 3a0k h GLU 87 N -1.75 0.00 -6.18 4.56 4.11 -1.93 -3.40 114.58 109.98 3a0k h GLU 87 Ca -0.50 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.24 3a0k h GLU 87 Cb 1.29 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.34 3a0k h GLU 87 CO 0.52 0.27 -0.71 -1.58 0.07 0.00 0.00 179.01 177.58 3a0k s TRP 88 N -3.85 2.89 0.21 2.06 0.52 -1.26 0.36 118.94 119.87 3a0k s TRP 88 Ca -0.01 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 3a0k s TRP 88 Cb 0.12 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 3a0k s TRP 88 CO 0.65 0.31 0.18 0.14 0.02 0.00 0.00 176.95 178.25 3a0k s VAL 89 N -0.80 0.00 0.07 4.03 -7.23 0.10 -4.11 120.40 112.45 3a0k s VAL 89 Ca 0.12 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 3a0k s VAL 89 Cb -0.11 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3a0k s VAL 89 CO 0.01 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.59 3a0k s ARG 90 N -4.11 2.30 0.12 4.82 0.52 0.61 0.42 118.95 123.63 3a0k s ARG 90 Ca 0.37 -0.92 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 3a0k s ARG 90 Cb 0.06 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 3a0k s ARG 90 CO 0.12 0.54 0.01 0.14 0.02 0.00 0.00 175.30 176.14 3a0k s VAL 91 N -1.15 3.99 0.27 3.52 -7.23 -1.26 -0.73 120.40 117.80 3a0k s VAL 91 Ca 0.20 -1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 59.11 3a0k s VAL 91 Cb -0.11 -2.94 0.05 0.00 0.56 0.00 0.00 36.38 33.94 3a0k s VAL 91 CO 0.12 0.03 0.73 0.61 -0.31 0.00 0.00 175.10 176.28 3a0k n GLY 92 N 0.27 1.00 3.24 2.32 0.00 -0.04 -0.10 105.19 111.88 3a0k n GLY 92 Ca -0.10 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 3a0k n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a0k s LEU 93 N 0.00 2.20 0.10 0.99 1.43 0.24 -0.52 118.68 123.13 3a0k s LEU 93 Ca 0.15 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3a0k s LEU 93 Cb -0.04 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3a0k s LEU 93 CO 0.08 0.11 -0.03 -0.94 0.23 0.00 0.00 176.35 175.80 3a0k s SER 94 N -1.34 0.92 0.20 2.29 1.04 -0.06 -0.84 113.70 115.91 3a0k s SER 94 Ca 0.06 -1.06 -0.22 0.00 0.48 0.00 0.00 55.95 55.21 3a0k s SER 94 Cb -0.09 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.23 3a0k s SER 94 CO 0.02 -0.54 0.65 0.00 0.98 0.00 0.00 173.24 174.35 3a0k s ALA 95 N -3.74 -1.46 0.07 5.32 0.00 0.30 -0.00 121.76 122.25 3a0k s ALA 95 Ca 0.14 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 3a0k s ALA 95 Cb 0.06 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 3a0k s ALA 95 CO -0.04 -0.87 0.13 0.95 0.00 0.00 0.00 175.76 175.93 3a0k s THR 96 N -3.81 0.16 0.43 0.00 -4.23 -0.40 -1.03 115.64 106.76 3a0k s THR 96 Ca 0.05 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 3a0k s THR 96 Cb -0.03 -1.32 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 3a0k s THR 96 CO -0.05 -0.72 0.03 0.42 -0.54 0.00 0.00 174.62 173.76 3a0k s THR 97 N -3.69 1.44 0.00 3.99 -4.23 0.46 -0.34 115.64 113.26 3a0k s THR 97 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3a0k s THR 97 Cb 0.05 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3a0k s THR 97 CO -0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3a0k n GLY 98 N -1.01 3.81 0.22 3.99 0.00 -1.26 -3.06 105.19 107.89 3a0k n GLY 98 Ca -0.09 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 0.88-10.28 0.99 5.85 -1.95 -0.58 115.31 110.22 3a0k h LEU 99 Ca 0.00 -0.56 -0.45 0.00 0.84 0.00 0.00 57.88 57.71 3a0k h LEU 99 Cb 0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 3a0k h LEU 99 CO 0.00 1.35 -0.35 -0.31 -0.34 0.00 0.00 178.44 178.79 3a0k s TYR 100 N -3.79 2.93 0.24 1.25 2.02 -1.26 -4.94 117.35 113.79 3a0k s TYR 100 Ca -0.10 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3a0k s TYR 100 Cb 0.09 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 3a0k s TYR 100 CO 0.89 -0.10 0.23 -1.59 -1.57 0.00 0.00 175.55 173.42 3a0k s LYS 101 N -4.18 1.39 -0.06 -0.62 -2.85 -1.19 -4.02 119.74 108.21 3a0k s LYS 101 Ca 0.47 -1.63 -0.31 0.00 -1.00 0.00 0.00 55.97 53.50 3a0k s LYS 101 Cb -0.08 0.32 0.11 0.00 -2.06 0.00 0.00 37.83 36.13 3a0k s LYS 101 CO 0.30 -0.50 1.04 -1.83 0.10 0.00 0.00 175.35 174.47 3a0k s GLU 102 N -3.95 0.64 0.48 1.78 -1.05 -0.97 -3.14 118.70 112.48 3a0k s GLU 102 Ca 0.36 -0.26 -0.16 0.00 -0.15 0.00 0.00 54.97 54.76 3a0k s GLU 102 Cb 0.05 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 3a0k s GLU 102 CO 0.14 -0.28 0.94 0.95 0.95 0.00 0.00 175.26 177.96 3a0k s THR 103 N -2.83 4.56 -0.50 1.83 -4.23 0.47 -4.68 115.64 110.26 3a0k s THR 103 Ca 0.08 1.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.82 3a0k s THR 103 Cb -0.01 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.42 3a0k s THR 103 CO -0.06 -0.60 0.73 0.59 -0.54 0.00 0.00 174.62 174.74 3a0k n ASN 104 N -1.37 2.36 -4.69 3.99 3.02 -1.26 -4.03 115.26 113.27 3a0k n ASN 104 Ca 0.06 -3.21 -0.39 0.00 -0.03 0.00 0.00 54.58 51.01 3a0k n ASN 104 Cb 0.54 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.57 5.12 -0.23 3.41 2.01 -0.93 -1.27 115.64 121.17 3a0k s THR 105 Ca 0.41 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 63.37 3a0k s THR 105 Cb 0.23 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3a0k s THR 105 CO -0.08 0.23 0.07 -0.63 -0.69 0.00 0.00 174.62 173.52 3a0k s ILE 106 N 1.20 4.42 -0.11 1.82 -1.09 0.19 -0.89 121.20 126.74 3a0k s ILE 106 Ca 0.27 -0.14 0.16 0.00 -2.23 0.00 0.00 60.65 58.71 3a0k s ILE 106 Cb -0.16 -3.05 -0.18 0.00 -1.58 0.00 0.00 42.46 37.49 3a0k s ILE 106 CO 0.11 0.37 0.67 0.18 -1.23 0.00 0.00 174.94 175.04 3a0k n LEU 107 N 4.57 0.71 -3.48 2.97 4.77 -0.19 -0.59 117.00 125.75 3a0k n LEU 107 Ca -0.16 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3a0k n LEU 107 Cb 0.52 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3a0k n LEU 107 CO 0.32 0.23 0.36 -0.94 -1.33 0.00 0.00 177.39 176.03 3a0k s SER 108 N -5.74 -0.52 -0.28 -1.43 1.04 -1.22 -4.07 113.70 101.48 3a0k s SER 108 Ca -0.04 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.29 3a0k s SER 108 Cb 0.08 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.87 3a0k s SER 108 CO 0.82 -0.87 0.81 0.86 0.98 0.00 0.00 173.24 175.84 3a0k s TRP 109 N -3.21 -0.84 0.15 5.02 -0.00 0.40 -1.50 118.94 118.97 3a0k s TRP 109 Ca -0.01 1.73 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 3a0k s TRP 109 Cb -0.00 0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 33.90 3a0k s TRP 109 CO -0.08 -0.41 0.02 -1.54 -0.00 0.00 0.00 176.95 174.93 3a0k s SER 110 N 1.27 0.91 -0.26 5.86 1.04 0.73 0.47 113.70 123.72 3a0k s SER 110 Ca -0.07 -1.17 -0.25 0.00 0.48 0.00 0.00 55.95 54.93 3a0k s SER 110 Cb -0.05 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.32 3a0k s SER 110 CO -0.15 -0.62 0.72 0.12 0.98 0.00 0.00 173.24 174.30 3a0k s PHE 111 N -3.79 -0.78 -0.01 5.02 5.36 0.27 -0.93 117.98 123.12 3a0k s PHE 111 Ca 0.23 1.87 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 3a0k s PHE 111 Cb 0.07 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 43.04 3a0k s PHE 111 CO 0.03 -0.39 0.01 0.99 -1.46 0.00 0.00 175.22 174.40 3a0k s THR 112 N 0.29 -0.00 0.05 0.12 2.01 0.66 -0.85 115.64 117.92 3a0k s THR 112 Ca -0.01 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.15 3a0k s THR 112 Cb -0.05 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 3a0k s THR 112 CO 0.01 0.05 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.26 3a0k s SER 113 N 0.49 2.19 0.06 3.53 0.15 0.17 -0.42 113.70 119.87 3a0k s SER 113 Ca -0.04 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.13 3a0k s SER 113 Cb -0.06 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 3a0k s SER 113 CO -0.01 0.10 -0.13 -0.54 1.20 0.00 0.00 173.24 173.86 3a0k s LYS 114 N -1.26 0.79 -0.21 5.44 1.02 0.78 -1.14 119.74 125.16 3a0k s LYS 114 Ca 0.05 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3a0k s LYS 114 Cb -0.09 -0.76 0.05 0.00 -0.52 0.00 0.00 37.83 36.52 3a0k s LYS 114 CO 0.02 0.17 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.06 3a0k s LEU 115 N -1.53 2.12 0.40 3.17 1.43 0.45 -1.18 118.68 123.54 3a0k s LEU 115 Ca -0.02 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.19 3a0k s LEU 115 Cb -0.09 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3a0k s LEU 115 CO 0.02 -0.22 0.36 -0.54 0.23 0.00 0.00 176.35 176.20 3a0k s LYS 116 N 1.51 2.55 0.00 1.70 1.02 0.20 -0.31 119.74 126.40 3a0k s LYS 116 Ca -0.03 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.45 3a0k s LYS 116 Cb -0.17 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3a0k s LYS 116 CO -0.07 -0.15 0.00 -2.37 -0.92 0.00 0.00 175.35 171.84 3a0k n THR 117 N -1.51 0.00 -2.66 2.17 5.66 -1.26 -0.82 114.28 115.86 3a0k n THR 117 Ca 0.03 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.00 3a0k n THR 117 Cb 0.61 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.51 3a0k n THR 117 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a0k n ALA 123 N -2.23 2.09 -1.58 1.79 0.00 -1.16 -4.94 120.51 114.48 3a0k n ALA 123 Ca 0.00 -0.92 -0.40 0.00 0.00 0.00 0.00 53.44 52.12 3a0k n ALA 123 Cb 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 18.66 3a0k n ALA 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a0k n ASN 124 N -1.26 0.69 -3.97 0.00 5.15 0.57 -4.52 115.26 111.92 3a0k n ASN 124 Ca -0.15 0.94 -0.09 0.00 -0.60 0.00 0.00 54.58 54.68 3a0k n ASN 124 Cb 0.83 -1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 38.66 3a0k n ASN 124 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a0k s ALA 125 N -1.40 0.06 -0.02 5.20 0.00 -1.26 -0.41 121.76 123.93 3a0k s ALA 125 Ca 0.67 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3a0k s ALA 125 Cb -0.52 0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3a0k s ALA 125 CO 0.55 -0.21 0.02 -1.17 0.00 0.00 0.00 175.76 174.95 3a0k s LEU 126 N -1.68 1.20 -0.02 0.00 2.96 -0.29 -4.97 118.68 115.87 3a0k s LEU 126 Ca -0.12 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3a0k s LEU 126 Cb -0.07 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.55 3a0k s LEU 126 CO -0.02 -0.11 0.04 -2.28 -1.32 0.00 0.00 176.35 172.66 3a0k s HIS 127 N 0.94 -0.03 0.09 5.38 5.65 -1.26 0.45 115.29 126.51 3a0k s HIS 127 Ca -0.08 0.12 0.00 0.00 0.25 0.00 0.00 55.06 55.36 3a0k s HIS 127 Cb -0.12 -0.06 -0.04 0.00 -1.18 0.00 0.00 32.58 31.18 3a0k s HIS 127 CO -0.02 -0.05 -0.04 -0.59 -0.65 0.00 0.00 174.74 173.39 3a0k s PHE 128 N 0.39 0.77 -0.19 3.88 -0.12 -0.03 -4.98 117.98 117.69 3a0k s PHE 128 Ca -0.03 -1.01 -0.13 0.00 -0.05 0.00 0.00 56.93 55.71 3a0k s PHE 128 Cb -0.04 -0.48 0.06 0.00 -0.63 0.00 0.00 43.02 41.93 3a0k s PHE 128 CO -0.01 -0.27 0.48 0.45 -0.05 0.00 0.00 175.22 175.82 3a0k s SER 129 N -3.00 -0.59 -0.10 1.98 0.15 -1.26 -0.57 113.70 110.31 3a0k s SER 129 Ca 0.12 1.03 0.03 0.00 0.70 0.00 0.00 55.95 57.82 3a0k s SER 129 Cb 0.07 0.95 0.01 0.00 -1.71 0.00 0.00 66.02 65.33 3a0k s SER 129 CO -0.06 -0.19 -0.18 -0.36 1.20 0.00 0.00 173.24 173.65 3a0k s PHE 130 N 1.09 2.16 -1.86 3.44 0.40 0.18 -4.93 117.98 118.45 3a0k s PHE 130 Ca -0.07 -0.96 0.16 0.00 -0.60 0.00 0.00 56.93 55.47 3a0k s PHE 130 Cb -0.06 -1.50 0.24 0.00 0.51 0.00 0.00 43.02 42.20 3a0k s PHE 130 CO -0.10 -0.44 1.15 0.27 0.70 0.00 0.00 175.22 176.79 3a0k n ASN 131 N 3.91 2.72 -3.51 1.36 6.94 -1.26 -0.45 115.26 124.97 3a0k n ASN 131 Ca -0.20 -1.80 -0.11 0.00 -0.02 0.00 0.00 54.58 52.46 3a0k n ASN 131 Cb 0.52 -0.11 -0.03 0.00 -2.36 0.00 0.00 39.78 37.79 3a0k n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a0k s GLN 132 N -1.26 0.86 -0.10 -3.83 -2.07 -1.26 -4.70 119.66 107.31 3a0k s GLN 132 Ca 0.25 -0.13 0.02 0.00 -1.82 0.00 0.00 55.36 53.67 3a0k s GLN 132 Cb 0.15 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 3a0k s GLN 132 CO 0.22 -0.34 -0.16 -0.06 -1.32 0.00 0.00 175.29 173.62 3a0k s PHE 133 N -2.44 2.70 0.94 9.60 0.40 0.38 -5.01 117.98 124.54 3a0k s PHE 133 Ca 0.00 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.64 3a0k s PHE 133 Cb -0.01 -1.74 0.15 0.00 0.51 0.00 0.00 43.02 41.94 3a0k s PHE 133 CO -0.04 -0.14 1.09 -0.08 0.70 0.00 0.00 175.22 176.76 3a0k s THR 134 N 0.00 2.42 0.34 0.64 -1.32 -1.26 -4.13 115.64 112.33 3a0k s THR 134 Ca -0.05 0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.66 3a0k s THR 134 Cb -0.14 -2.63 0.08 0.00 -1.51 0.00 0.00 72.50 68.29 3a0k s THR 134 CO 0.04 -0.18 1.79 -0.61 -2.21 0.00 0.00 174.62 173.46 3a0k h GLN 135 N -1.68 0.15 -3.06 7.08 5.75 -1.92 -3.23 115.11 118.21 3a0k h GLN 135 Ca -0.51 -0.06 -0.62 0.00 -0.15 0.00 0.00 58.65 57.31 3a0k h GLN 135 Cb 1.30 -0.01 -0.41 0.00 1.07 0.00 0.00 27.48 29.44 3a0k h GLN 135 CO 0.56 0.48 -0.67 1.21 -2.65 0.00 0.00 178.83 177.76 3a0k s ASN 136 N -6.90 4.04 -0.80 -0.69 2.47 -1.26 -4.77 114.94 107.02 3a0k s ASN 136 Ca -0.04 -3.27 -0.22 0.00 0.42 0.00 0.00 52.86 49.75 3a0k s ASN 136 Cb 0.14 -1.36 0.08 0.00 -1.45 0.00 0.00 41.25 38.66 3a0k s ASN 136 CO 0.75 -0.17 1.12 -2.16 -3.72 0.00 0.00 177.10 172.91 3a0k s PRO 137 N -0.57 3.33 0.16 0.43 0.04 -1.22 -4.76 135.00 132.42 3a0k s PRO 137 Ca 0.22 -1.08 0.20 0.00 0.04 0.00 0.00 61.00 60.38 3a0k s PRO 137 Cb -0.14 -4.59 0.84 0.00 0.04 0.00 0.00 34.50 30.65 3a0k s PRO 137 CO -0.09 -1.90 1.61 1.63 0.04 0.00 0.00 177.00 178.29 3a0k n LYS 138 N 7.72 0.12 -0.41 4.56 5.02 -1.26 -1.30 118.16 132.61 3a0k n LYS 138 Ca 0.10 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 3a0k n LYS 138 Cb 0.48 -1.74 0.32 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.96 3.97 -4.50 4.39 5.68 -1.26 -4.85 116.55 118.02 3a0k n ASP 139 Ca 0.02 -2.09 -0.31 0.00 -0.50 0.00 0.00 54.79 51.92 3a0k n ASP 139 Cb 0.20 -0.50 -0.12 0.00 -1.14 0.00 0.00 41.12 39.56 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 2.79 -0.43 -2.12 1.43 -0.42 -0.09 118.68 118.69 3a0k s LEU 140 Ca 0.48 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 3a0k s LEU 140 Cb 0.26 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.89 3a0k s LEU 140 CO 0.31 0.25 0.36 -0.63 0.23 0.00 0.00 176.35 176.87 3a0k s ILE 141 N -0.98 5.20 -0.14 -0.59 1.01 0.37 -4.86 121.20 121.21 3a0k s ILE 141 Ca 0.16 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 3a0k s ILE 141 Cb -0.11 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3a0k s ILE 141 CO 0.07 -0.41 0.58 -0.76 0.00 0.00 0.00 174.94 174.42 3a0k s LEU 142 N 1.81 4.23 0.11 2.97 1.43 -1.26 -0.38 118.68 127.58 3a0k s LEU 142 Ca 0.07 0.89 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 3a0k s LEU 142 Cb -0.20 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 3a0k s LEU 142 CO 0.10 -0.14 -0.23 -1.10 0.23 0.00 0.00 176.35 175.22 3a0k s GLN 143 N 1.19 1.64 5.70 1.70 -0.21 0.66 -4.94 119.66 125.40 3a0k s GLN 143 Ca 0.29 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.44 3a0k s GLN 143 Cb -0.16 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.84 3a0k s GLN 143 CO 0.12 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 3a0k n GLY 144 N 1.03 2.28 0.03 3.09 0.00 -1.26 -1.33 105.19 109.03 3a0k n GLY 144 Ca -0.17 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 2.44 0.12 -4.75 1.61 8.00 0.12 -4.92 116.55 119.17 3a0k n ASP 145 Ca 0.00 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.29 3a0k n ASP 145 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.17 3.53 0.23 2.24 0.00 -1.10 -4.51 121.76 120.00 3a0k s ALA 146 Ca 0.42 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 3a0k s ALA 146 Cb 0.21 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3a0k s ALA 146 CO 0.40 -0.59 0.30 0.95 0.00 0.00 0.00 175.76 176.82 3a0k s THR 147 N -0.31 0.00 0.16 0.00 -4.23 -0.33 -4.69 115.64 106.24 3a0k s THR 147 Ca 0.55 -1.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3a0k s THR 147 Cb -0.38 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3a0k s THR 147 CO 0.43 0.00 -0.00 0.42 -0.54 0.00 0.00 174.62 174.93 3a0k s THR 148 N -4.01 3.75 0.40 3.99 -4.23 -1.26 0.54 115.64 114.82 3a0k s THR 148 Ca 0.32 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3a0k s THR 148 Cb 0.03 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 71.03 3a0k s THR 148 CO 0.12 -0.07 0.16 -0.90 -0.54 0.00 0.00 174.62 173.39 3a0k n ASP 149 N 0.01 2.67 0.13 3.99 5.68 0.04 -4.90 116.55 124.17 3a0k n ASP 149 Ca -0.10 -2.54 0.12 0.00 -0.50 0.00 0.00 54.79 51.77 3a0k n ASP 149 Cb 0.55 0.11 0.49 0.00 -1.14 0.00 0.00 41.12 41.13 3a0k n ASP 149 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3a0k n SER 150 N -1.57 0.72 -0.08 -1.12 3.41 -1.26 -0.67 113.62 113.05 3a0k n SER 150 Ca -0.08 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 3a0k n SER 150 Cb 0.48 -0.82 0.67 0.00 -0.26 0.00 0.00 64.21 64.28 3a0k n SER 150 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3a0k n ASP 151 N -2.28 0.33 0.00 4.04 10.43 -1.26 -4.87 116.55 122.94 3a0k n ASP 151 Ca 0.02 -0.51 0.00 0.00 2.57 0.00 0.00 54.79 56.88 3a0k n ASP 151 Cb 0.26 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.10 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 1.26 0.48 3.94 0.44 0.00 0.15 -4.83 105.19 106.63 3a0k n GLY 152 Ca 0.15 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.87 6.35 -0.26 1.61 0.01 -1.26 0.14 114.94 118.67 3a0k s ASN 153 Ca 0.00 0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 52.28 3a0k s ASN 153 Cb 0.00 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 3a0k s ASN 153 CO 0.00 0.04 0.11 -0.22 -1.51 0.00 0.00 177.10 175.52 3a0k s LEU 154 N -3.23 3.66 -0.49 0.60 2.96 0.25 -0.78 118.68 121.65 3a0k s LEU 154 Ca 0.35 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.99 3a0k s LEU 154 Cb -0.11 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.68 3a0k s LEU 154 CO 0.29 -0.04 0.41 -1.61 -1.32 0.00 0.00 176.35 174.08 3a0k s GLU 155 N 1.65 2.86 0.25 1.98 0.41 0.19 0.57 118.70 126.60 3a0k s GLU 155 Ca 0.07 -1.55 0.03 0.00 -0.41 0.00 0.00 54.97 53.11 3a0k s GLU 155 Cb -0.15 -4.12 0.29 0.00 -1.78 0.00 0.00 34.13 28.37 3a0k s GLU 155 CO 0.06 -1.15 1.60 -0.07 -0.49 0.00 0.00 175.26 175.22 3a0k h LEU 156 N 8.71 0.38 -9.41 1.80 3.38 -1.42 -0.88 115.31 117.87 3a0k h LEU 156 Ca -0.27 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 56.93 3a0k h LEU 156 Cb 1.10 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 3a0k h LEU 156 CO 0.92 0.81 -0.69 0.42 0.09 0.00 0.00 178.44 179.99 3a0k s THR 157 N -4.01 2.85 0.20 0.22 -4.23 -1.26 -2.82 115.64 106.58 3a0k s THR 157 Ca -0.05 -2.15 -0.31 0.00 -1.18 0.00 0.00 61.69 58.00 3a0k s THR 157 Cb 0.12 -2.60 -0.11 0.00 1.34 0.00 0.00 72.50 71.26 3a0k s THR 157 CO 0.80 -0.35 1.58 -0.75 -0.54 0.00 0.00 174.62 175.36 3a0k s LYS 158 N -3.61 4.20 0.04 3.99 2.47 -1.26 -4.67 119.74 120.90 3a0k s LYS 158 Ca 0.31 2.42 0.06 0.00 -1.56 0.00 0.00 55.97 57.21 3a0k s LYS 158 Cb -0.04 -3.12 -0.02 0.00 -1.46 0.00 0.00 37.83 33.18 3a0k s LYS 158 CO 0.18 -0.61 -0.17 0.14 0.16 0.00 0.00 175.35 175.04 3a0k s VAL 159 N 0.87 1.40 1.20 4.02 -7.23 -1.26 -0.91 120.40 118.49 3a0k s VAL 159 Ca 0.69 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 3a0k s VAL 159 Cb -0.45 -1.24 0.28 0.00 0.56 0.00 0.00 36.38 35.53 3a0k s VAL 159 CO 0.35 0.09 1.04 -0.94 -0.31 0.00 0.00 175.10 175.33 3a0k s SER 160 N -1.20 0.84 0.56 4.85 1.04 0.25 -4.79 113.70 115.26 3a0k s SER 160 Ca 0.05 1.06 0.25 0.00 0.48 0.00 0.00 55.95 57.78 3a0k s SER 160 Cb -0.08 -1.59 1.57 0.00 0.10 0.00 0.00 66.02 66.01 3a0k s SER 160 CO 0.02 -4.22 2.15 0.77 0.98 0.00 0.00 173.24 172.93 3a0k h SER 161 N -2.64 0.00 -0.49 7.02 4.64 -2.01 0.41 113.55 120.48 3a0k h SER 161 Ca -0.52 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.61 3a0k h SER 161 Cb 1.33 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.30 3a0k h SER 161 CO 0.44 0.00 0.24 -1.54 -0.87 0.00 0.00 176.83 175.10 3a0k n SER 162 N -4.09 3.55 0.00 4.97 3.41 -1.26 -4.89 113.62 115.31 3a0k n SER 162 Ca 0.00 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 3a0k n SER 162 Cb 0.23 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.15 0.29 3.69 5.00 0.00 0.13 -4.96 105.19 109.20 3a0k n GLY 163 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.14 7.13 0.30 1.61 0.15 -1.26 -4.70 113.70 114.80 3a0k s SER 164 Ca 0.00 1.77 -0.27 0.00 0.70 0.00 0.00 55.95 58.15 3a0k s SER 164 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 3a0k s SER 164 CO 0.00 -0.50 0.96 -2.16 1.20 0.00 0.00 173.24 172.74 3a0k s PRO 165 N 1.83 4.65 0.09 5.44 0.04 -1.26 0.85 135.00 146.63 3a0k s PRO 165 Ca 0.54 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.01 3a0k s PRO 165 Cb -0.24 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 3a0k s PRO 165 CO 0.23 0.32 0.24 -0.65 0.04 0.00 0.00 177.00 177.18 3a0k s GLN 166 N -1.77 3.44 0.99 4.56 -1.52 -0.09 -4.74 119.66 120.52 3a0k s GLN 166 Ca 0.47 -0.50 -0.15 0.00 -1.95 0.00 0.00 55.36 53.24 3a0k s GLN 166 Cb -0.22 -3.01 0.19 0.00 -0.22 0.00 0.00 33.01 29.75 3a0k s GLN 166 CO 0.28 0.58 1.17 0.20 -0.25 0.00 0.00 175.29 177.26 3a0k s GLY 167 N -2.78 1.62 -1.48 3.09 0.00 -1.26 -4.41 107.32 102.09 3a0k s GLY 167 Ca 0.35 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 3a0k s GLY 167 CO 0.28 -0.09 0.80 1.44 0.00 0.00 0.00 173.10 175.54 3a0k n SER 168 N -4.00 -4.58 -4.55 1.64 7.64 -0.23 -4.79 113.62 104.75 3a0k n SER 168 Ca 0.10 -0.64 -0.29 0.00 1.01 0.00 0.00 58.87 59.05 3a0k n SER 168 Cb 0.59 -3.69 -0.10 0.00 -1.01 0.00 0.00 64.21 60.00 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 -3.08 4.24 -0.07 6.43 0.15 -1.17 -4.93 113.70 115.28 3a0k s SER 169 Ca 0.57 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 3a0k s SER 169 Cb -0.29 -0.75 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 3a0k s SER 169 CO 0.70 0.17 0.21 0.54 1.20 0.00 0.00 173.24 176.06 3a0k s VAL 170 N -1.23 0.01 0.05 4.45 0.11 -1.26 -0.40 120.40 122.13 3a0k s VAL 170 Ca 0.21 -0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 3a0k s VAL 170 Cb -0.11 -0.33 0.09 0.00 -1.53 0.00 0.00 36.38 34.50 3a0k s VAL 170 CO 0.13 -0.05 0.76 -0.83 -3.33 0.00 0.00 175.10 171.78 3a0k s GLY 171 N -0.09 -0.52 0.12 6.54 0.00 -0.20 0.14 107.32 113.31 3a0k s GLY 171 Ca -0.02 0.90 -0.07 0.00 0.00 0.00 0.00 44.72 45.53 3a0k s GLY 171 CO 0.01 0.36 0.19 0.50 0.00 0.00 0.00 173.10 174.16 3a0k s ARG 172 N -3.07 0.97 -0.07 2.90 0.52 -0.44 -0.54 118.95 119.22 3a0k s ARG 172 Ca 0.02 -1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 54.05 3a0k s ARG 172 Cb -0.01 0.33 0.04 0.00 0.52 0.00 0.00 34.95 35.84 3a0k s ARG 172 CO -0.08 -0.32 0.14 0.00 0.02 0.00 0.00 175.30 175.06 3a0k s ALA 173 N -3.94 -0.15 0.07 2.13 0.00 -0.02 -0.25 121.76 119.60 3a0k s ALA 173 Ca 0.13 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3a0k s ALA 173 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3a0k s ALA 173 CO -0.04 -0.39 0.04 -0.51 0.00 0.00 0.00 175.76 174.86 3a0k s LEU 174 N 1.82 3.66 0.38 0.00 1.02 0.48 -0.59 118.68 125.45 3a0k s LEU 174 Ca -0.02 -0.05 -0.26 0.00 0.02 0.00 0.00 54.13 53.82 3a0k s LEU 174 Cb -0.12 -2.31 -0.09 0.00 0.02 0.00 0.00 46.19 43.69 3a0k s LEU 174 CO -0.05 0.19 1.12 0.12 0.02 0.00 0.00 176.35 177.75 3a0k s PHE 175 N -1.31 3.21 0.22 0.29 5.36 0.86 -0.48 117.98 126.13 3a0k s PHE 175 Ca 0.26 1.60 -0.07 0.00 -0.96 0.00 0.00 56.93 57.77 3a0k s PHE 175 Cb -0.12 -3.30 0.18 0.00 -0.34 0.00 0.00 43.02 39.43 3a0k s PHE 175 CO 0.19 -1.00 1.73 -0.92 -1.46 0.00 0.00 175.22 173.76 3a0k h TYR 176 N 2.81 1.11 -3.39 10.12 5.03 -0.83 -3.43 116.97 128.39 3a0k h TYR 176 Ca -0.48 -0.14 -0.55 0.00 2.58 0.00 0.00 58.73 60.14 3a0k h TYR 176 Cb 1.22 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 39.16 3a0k h TYR 176 CO 0.56 0.92 0.25 0.00 -1.32 0.00 0.00 178.16 178.58 3a0k s ALA 177 N -5.21 3.23 0.60 1.82 0.00 -1.26 -5.01 121.76 115.93 3a0k s ALA 177 Ca -0.11 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 3a0k s ALA 177 Cb 0.15 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 3a0k s ALA 177 CO 0.84 -0.17 0.77 -2.30 0.00 0.00 0.00 175.76 174.90 3a0k n PRO 178 N 3.81 0.70 -5.19 0.00 -0.02 -1.26 -4.76 135.00 128.28 3a0k n PRO 178 Ca 0.03 0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3a0k n PRO 178 Cb 0.51 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.62 2.19 -0.56 -1.45 1.01 0.17 -4.93 120.40 115.21 3a0k s VAL 179 Ca 0.73 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3a0k s VAL 179 Cb -0.42 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.22 3a0k s VAL 179 CO 0.50 0.56 0.70 -2.28 0.00 0.00 0.00 175.10 174.58 3a0k s HIS 180 N 0.02 2.98 -1.22 5.22 2.46 -1.26 -0.73 115.29 122.77 3a0k s HIS 180 Ca -0.09 -0.73 0.21 0.00 0.47 0.00 0.00 55.06 54.92 3a0k s HIS 180 Cb -0.15 -3.85 -0.17 0.00 -0.13 0.00 0.00 32.58 28.27 3a0k s HIS 180 CO 0.05 -1.22 0.92 0.44 -2.47 0.00 0.00 174.74 172.46 3a0k n ILE 181 N 5.63 0.00 -3.68 0.89 -5.35 0.16 -4.73 119.36 112.28 3a0k n ILE 181 Ca -0.08 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 3a0k n ILE 181 Cb 0.44 1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 39.35 3a0k n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3a0k s TRP 182 N -2.82 -0.14 -0.05 4.28 -0.11 -1.16 -4.74 118.94 114.21 3a0k s TRP 182 Ca 0.10 -0.20 -0.20 0.00 1.22 0.00 0.00 56.10 57.03 3a0k s TRP 182 Cb 0.16 0.22 0.04 0.00 -1.50 0.00 0.00 33.47 32.39 3a0k s TRP 182 CO 0.78 -0.70 0.44 -2.00 -4.62 0.00 0.00 176.95 170.85 3a0k s GLU 183 N -3.82 0.76 0.02 5.86 2.12 -1.26 -4.67 118.70 117.70 3a0k s GLU 183 Ca 0.04 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.44 3a0k s GLU 183 Cb 0.02 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.79 3a0k s GLU 183 CO -0.11 -0.21 0.80 -1.13 -0.54 0.00 0.00 175.26 174.08 3a0k n SER 184 N 1.41 0.02 0.00 -1.70 3.41 -1.26 -2.37 113.62 113.12 3a0k n SER 184 Ca -0.20 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3a0k n SER 184 Cb 0.56 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3a0k n SER 184 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a0k n SER 185 N -1.32 0.27 -4.75 4.04 3.41 -1.26 -5.05 113.62 108.96 3a0k n SER 185 Ca -0.00 -1.10 -0.35 0.00 -0.26 0.00 0.00 58.87 57.16 3a0k n SER 185 Cb 0.23 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.10 2.44 -0.00 7.33 0.00 -1.00 -4.89 121.76 125.54 3a0k s ALA 186 Ca 0.00 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.98 3a0k s ALA 186 Cb 0.00 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.45 3a0k s ALA 186 CO 0.00 -1.34 0.81 0.28 0.00 0.00 0.00 175.76 175.52 3a0k h VAL 187 N 0.53 1.07 -2.24 0.00 2.07 -1.34 -3.47 116.25 112.87 3a0k h VAL 187 Ca -0.49 -2.87 -0.07 0.00 0.82 0.00 0.00 66.70 64.09 3a0k h VAL 187 Cb 1.29 2.55 -0.21 0.00 -1.52 0.00 0.00 31.29 33.40 3a0k h VAL 187 CO 0.54 0.64 0.03 -0.69 0.02 0.00 0.00 177.57 178.11 3a0k s VAL 188 N -2.62 0.00 0.03 2.57 1.01 -1.21 -4.86 120.40 115.33 3a0k s VAL 188 Ca -0.04 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3a0k s VAL 188 Cb 0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3a0k s VAL 188 CO 0.82 -0.02 -0.17 0.00 0.00 0.00 0.00 175.10 175.73 3a0k s ALA 189 N -0.10 1.46 0.03 5.51 0.00 -1.26 0.58 121.76 127.98 3a0k s ALA 189 Ca -0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 3a0k s ALA 189 Cb -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3a0k s ALA 189 CO 0.03 0.32 0.26 -1.54 0.00 0.00 0.00 175.76 174.82 3a0k s SER 190 N -1.00 -0.07 0.07 0.00 1.04 -0.33 -0.32 113.70 113.09 3a0k s SER 190 Ca 0.05 -0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 3a0k s SER 190 Cb -0.08 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3a0k s SER 190 CO 0.01 -0.54 0.16 0.72 0.98 0.00 0.00 173.24 174.57 3a0k s PHE 191 N -2.20 0.18 0.02 5.02 -0.12 0.11 -0.15 117.98 120.83 3a0k s PHE 191 Ca -0.08 -0.58 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 3a0k s PHE 191 Cb -0.02 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 3a0k s PHE 191 CO -0.01 -0.49 -0.04 -0.51 -0.05 0.00 0.00 175.22 174.11 3a0k s ASP 192 N -2.68 0.43 0.04 1.98 1.11 0.44 -0.65 116.67 117.33 3a0k s ASP 192 Ca 0.03 -0.32 0.01 0.00 0.18 0.00 0.00 52.55 52.44 3a0k s ASP 192 Cb 0.04 0.03 -0.02 0.00 1.07 0.00 0.00 42.92 44.03 3a0k s ASP 192 CO -0.09 -0.14 -0.05 0.00 1.18 0.00 0.00 175.17 176.07 3a0k s ALA 193 N -0.85 0.39 -0.01 5.23 0.00 0.86 -0.24 121.76 127.13 3a0k s ALA 193 Ca -0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3a0k s ALA 193 Cb -0.06 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3a0k s ALA 193 CO -0.00 -0.13 0.04 0.99 0.00 0.00 0.00 175.76 176.66 3a0k s THR 194 N -1.81 0.02 0.10 0.00 2.01 -0.11 0.32 115.64 116.18 3a0k s THR 194 Ca -0.10 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3a0k s THR 194 Cb -0.07 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 3a0k s THR 194 CO -0.02 -0.10 0.15 0.72 -0.69 0.00 0.00 174.62 174.68 3a0k s PHE 195 N -0.29 0.35 0.10 4.92 -0.71 -0.11 -0.19 117.98 122.05 3a0k s PHE 195 Ca -0.03 -0.79 0.10 0.00 -1.04 0.00 0.00 56.93 55.17 3a0k s PHE 195 Cb -0.02 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 3a0k s PHE 195 CO 0.00 -0.54 -0.26 0.95 -1.34 0.00 0.00 175.22 174.03 3a0k s THR 196 N -3.91 2.13 0.07 -4.49 -4.23 -0.56 -0.62 115.64 104.02 3a0k s THR 196 Ca 0.10 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 3a0k s THR 196 Cb 0.05 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 72.04 3a0k s THR 196 CO -0.07 0.17 0.26 0.72 -0.54 0.00 0.00 174.62 175.16 3a0k s PHE 197 N -0.97 -0.00 -0.14 3.99 -0.12 0.35 -1.02 117.98 120.06 3a0k s PHE 197 Ca 0.12 -0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 3a0k s PHE 197 Cb -0.10 0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 3a0k s PHE 197 CO 0.04 -0.53 0.03 -1.17 -0.05 0.00 0.00 175.22 173.55 3a0k s LEU 198 N -2.42 0.79 -0.22 -1.99 0.20 -0.07 0.47 118.68 115.44 3a0k s LEU 198 Ca -0.01 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.28 3a0k s LEU 198 Cb 0.01 -0.46 -0.00 0.00 -0.43 0.00 0.00 46.19 45.31 3a0k s LEU 198 CO -0.07 -0.27 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.03 3a0k s ILE 199 N 1.96 3.26 0.15 6.68 1.01 -1.26 -2.20 121.20 130.80 3a0k s ILE 199 Ca 0.02 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.21 3a0k s ILE 199 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3a0k s ILE 199 CO -0.07 0.42 -0.19 -0.54 0.00 0.00 0.00 174.94 174.56 3a0k s LYS 200 N 1.46 1.27 -0.15 2.79 1.02 -1.26 0.84 119.74 125.70 3a0k s LYS 200 Ca 0.06 -1.37 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 3a0k s LYS 200 Cb -0.14 -1.39 0.05 0.00 -0.52 0.00 0.00 37.83 35.83 3a0k s LYS 200 CO -0.04 0.29 0.56 0.45 -0.92 0.00 0.00 175.35 175.69 3a0k s SER 201 N -2.50 -0.55 0.00 2.83 0.15 -1.26 -0.39 113.70 111.97 3a0k s SER 201 Ca 0.14 0.91 0.28 0.00 0.70 0.00 0.00 55.95 57.98 3a0k s SER 201 Cb -0.07 0.91 1.08 0.00 -1.71 0.00 0.00 66.02 66.23 3a0k s SER 201 CO 0.06 -0.32 1.80 -0.81 1.20 0.00 0.00 173.24 175.18 3a0k n PRO 202 N 2.18 0.09 -3.36 5.44 -0.04 -1.26 -4.92 135.00 133.13 3a0k n PRO 202 Ca -0.16 -0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 62.95 3a0k n PRO 202 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.93 6.69 0.20 3.54 -0.00 -1.26 -4.98 116.67 117.94 3a0k s ASP 203 Ca 0.16 1.01 -0.09 0.00 -0.00 0.00 0.00 52.55 53.62 3a0k s ASP 203 Cb 0.19 -2.26 0.14 0.00 -0.00 0.00 0.00 42.92 40.99 3a0k s ASP 203 CO 0.56 -0.06 1.81 -1.28 -0.00 0.00 0.00 175.17 176.20 3a0k h SER 204 N 2.71 0.96 -3.50 0.27 0.87 -1.96 -3.33 113.55 109.58 3a0k h SER 204 Ca -0.47 -0.12 -0.61 0.00 -1.23 0.00 0.00 61.79 59.35 3a0k h SER 204 Cb 1.17 -0.25 -0.39 0.00 -0.44 0.00 0.00 62.40 62.50 3a0k h SER 204 CO 0.68 0.81 -0.76 -1.61 -0.53 0.00 0.00 176.83 175.42 3a0k s GLU 205 N -5.76 1.30 0.85 2.24 8.01 -1.26 -5.11 118.70 118.97 3a0k s GLU 205 Ca -0.13 -1.26 -0.11 0.00 0.01 0.00 0.00 54.97 53.49 3a0k s GLU 205 Cb 0.15 -2.58 0.10 0.00 -4.31 0.00 0.00 34.13 27.49 3a0k s GLU 205 CO 0.81 -0.81 1.10 -1.25 0.01 0.00 0.00 175.26 175.12 3a0k s PRO 206 N 1.33 1.61 0.15 0.39 0.04 -1.25 -4.62 135.00 132.64 3a0k s PRO 206 Ca 0.04 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 3a0k s PRO 206 Cb -0.18 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3a0k s PRO 206 CO -0.12 -2.08 0.44 0.00 0.04 0.00 0.00 177.00 175.28 3a0k s ALA 207 N -2.86 -0.89 -0.08 8.56 0.00 -1.19 -4.11 121.76 121.19 3a0k s ALA 207 Ca 0.63 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3a0k s ALA 207 Cb -0.19 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.63 3a0k s ALA 207 CO 0.57 -0.70 -0.03 -0.25 0.00 0.00 0.00 175.76 175.35 3a0k n ASP 208 N -0.27 3.33 0.00 0.00 8.00 0.53 -2.29 116.55 125.86 3a0k n ASP 208 Ca -0.13 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3a0k n ASP 208 Cb 0.63 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 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 2.83 -0.88 3.17 0.44 0.00 -1.02 -1.54 105.19 108.19 3a0k n GLY 209 Ca -0.13 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 0.13 0.10 -0.61 -4.36 -0.06 -1.27 121.20 113.13 3a0k s ILE 210 Ca 0.00 -1.03 -0.04 0.00 -0.26 0.00 0.00 60.65 59.31 3a0k s ILE 210 Cb 0.00 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.66 3a0k s ILE 210 CO 0.00 -0.57 0.10 0.42 0.24 0.00 0.00 174.94 175.13 3a0k s THR 211 N -2.92 0.14 -0.09 8.37 -4.23 1.00 0.80 115.64 118.70 3a0k s THR 211 Ca -0.02 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3a0k s THR 211 Cb 0.01 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 3a0k s THR 211 CO -0.06 -0.63 -0.05 0.12 -0.54 0.00 0.00 174.62 173.46 3a0k s PHE 212 N -3.95 3.00 0.08 3.99 5.36 -0.63 -0.88 117.98 124.95 3a0k s PHE 212 Ca 0.13 0.00 -0.06 0.00 -0.96 0.00 0.00 56.93 56.04 3a0k s PHE 212 Cb 0.06 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 3a0k s PHE 212 CO -0.05 0.30 0.12 -0.59 -1.46 0.00 0.00 175.22 173.54 3a0k s PHE 213 N -0.63 0.27 -0.01 10.12 -0.71 0.32 -0.22 117.98 127.12 3a0k s PHE 213 Ca 0.10 -0.73 0.03 0.00 -1.04 0.00 0.00 56.93 55.28 3a0k s PHE 213 Cb -0.12 -0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 3a0k s PHE 213 CO 0.02 -0.49 -0.09 0.42 -1.34 0.00 0.00 175.22 173.74 3a0k s ILE 214 N -3.86 0.72 0.17 -4.49 1.01 0.12 -0.86 121.20 114.01 3a0k s ILE 214 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 3a0k s ILE 214 Cb 0.06 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.94 3a0k s ILE 214 CO -0.11 0.20 0.43 0.00 0.00 0.00 0.00 174.94 175.47 3a0k s ALA 215 N -0.22 -0.66 0.43 9.38 0.00 0.09 -1.12 121.76 129.66 3a0k s ALA 215 Ca 0.03 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 3a0k s ALA 215 Cb -0.04 0.82 -0.12 0.00 0.00 0.00 0.00 23.12 23.79 3a0k s ALA 215 CO -0.00 -0.73 0.71 0.27 0.00 0.00 0.00 175.76 176.00 3a0k n ASN 216 N -0.28 -0.15 0.14 0.00 6.94 -1.10 -0.28 115.26 120.53 3a0k n ASN 216 Ca -0.10 0.94 0.10 0.00 -0.02 0.00 0.00 54.58 55.50 3a0k n ASN 216 Cb 0.63 -1.20 0.60 0.00 -2.36 0.00 0.00 39.78 37.45 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 1.00 0.96 -0.40 5.53 1.35 -1.82 -0.22 112.91 119.31 3a0k h THR 217 Ca -0.42 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.30 3a0k h THR 217 Cb 1.38 0.82 -0.06 0.00 -1.73 0.00 0.00 68.15 68.57 3a0k h THR 217 CO 0.53 0.02 0.12 -0.90 -0.25 0.00 0.00 175.52 175.04 3a0k n ASP 218 N -4.49 3.59 -4.67 5.36 5.75 -1.26 -4.67 116.55 116.15 3a0k n ASP 218 Ca 0.01 -2.65 -0.38 0.00 -0.01 0.00 0.00 54.79 51.77 3a0k n ASP 218 Cb 0.21 -0.63 0.05 0.00 -1.03 0.00 0.00 41.12 39.71 3a0k n ASP 218 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3a0k n THR 219 N 0.10 3.90 -3.94 2.12 5.66 -0.09 -5.01 114.28 117.02 3a0k n THR 219 Ca 0.21 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.62 3a0k n THR 219 Cb 0.91 -1.35 -0.07 0.00 -1.55 0.00 0.00 70.33 68.27 3a0k n THR 219 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3a0k s SER 220 N -1.15 0.00 -0.08 1.09 1.04 -1.26 -5.09 113.70 108.25 3a0k s SER 220 Ca 0.75 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 3a0k s SER 220 Cb -0.42 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 3a0k s SER 220 CO 0.47 -0.92 1.65 -0.63 0.98 0.00 0.00 173.24 174.79 3a0k s ILE 221 N -3.96 3.60 0.40 -1.02 1.01 -1.26 -4.91 121.20 115.06 3a0k s ILE 221 Ca 0.17 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.27 3a0k s ILE 221 Cb 0.03 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 3a0k s ILE 221 CO 0.00 -0.09 1.37 -2.84 0.00 0.00 0.00 174.94 173.38 3a0k s PRO 222 N 4.15 3.99 0.31 2.79 0.02 -1.26 -4.93 135.00 140.07 3a0k s PRO 222 Ca 0.73 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.78 3a0k s PRO 222 Cb -0.32 -2.83 -0.13 0.00 0.02 0.00 0.00 34.50 31.25 3a0k s PRO 222 CO 0.29 -0.53 1.28 0.45 -0.33 0.00 0.00 177.00 178.16 3a0k n SER 223 N 0.22 2.56 0.00 2.53 2.88 -1.26 -1.68 113.62 118.88 3a0k n SER 223 Ca 0.03 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3a0k n SER 223 Cb 0.42 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 3a0k n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a0k n GLY 224 N 1.20 1.46 0.56 0.46 0.00 -1.26 -4.57 105.19 103.04 3a0k n GLY 224 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.33 -4.17 1.61 3.41 -0.68 -4.74 113.62 110.39 3a0k n SER 225 Ca 0.00 -2.09 -0.30 0.00 -0.26 0.00 0.00 58.87 56.23 3a0k n SER 225 Cb 0.00 -0.43 0.20 0.00 -0.26 0.00 0.00 64.21 63.72 3a0k n SER 225 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a0k s SER 226 N -0.26 2.16 0.86 4.04 1.04 -1.26 -0.04 113.70 120.24 3a0k s SER 226 Ca 0.06 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.14 3a0k s SER 226 Cb 0.04 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.23 3a0k s SER 226 CO 0.02 -3.36 0.00 0.61 0.98 0.00 0.00 173.24 171.49 3a0k n GLY 227 N -1.97 2.64 0.09 7.32 0.00 -1.19 -1.56 105.19 110.54 3a0k n GLY 227 Ca 0.12 0.34 0.10 0.00 0.00 0.00 0.00 46.02 46.57 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 9.73 0.13 -0.05 1.61 1.85 -1.26 -1.07 116.66 127.60 3a0k n ARG 228 Ca 0.00 0.42 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 3a0k n ARG 228 Cb 0.00 -1.77 0.46 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.01 1.38 -2.26 2.89 4.77 -0.60 -4.93 117.00 116.23 3a0k n LEU 229 Ca 0.02 -0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 3a0k n LEU 229 Cb 0.17 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3a0k n LEU 229 CO 0.16 0.27 -0.20 0.18 -1.33 0.00 0.00 177.39 176.47 3a0k n LEU 230 N 0.11 -1.46 0.00 2.23 4.77 -0.23 -1.01 117.00 121.41 3a0k n LEU 230 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3a0k n LEU 230 Cb 0.30 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 3a0k n LEU 230 CO 0.14 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 3a0k n GLY 231 N -0.80 0.38 0.04 -0.72 0.00 0.95 -4.24 105.19 100.79 3a0k n GLY 231 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 0.90 -4.24 0.99 7.99 -0.18 -4.29 117.00 118.17 3a0k n LEU 232 Ca 0.00 -0.01 -0.21 0.00 -0.01 0.00 0.00 56.01 55.78 3a0k n LEU 232 Cb 0.15 0.03 -0.12 0.00 -0.11 0.00 0.00 43.42 43.37 3a0k n LEU 232 CO 0.00 0.32 -0.48 -0.36 -1.51 0.00 0.00 177.39 175.36 3a0k s PHE 233 N -2.17 1.52 -0.96 -1.77 0.08 -1.13 -4.73 117.98 108.82 3a0k s PHE 233 Ca -0.06 -0.47 0.28 0.00 0.12 0.00 0.00 56.93 56.80 3a0k s PHE 233 Cb 0.02 -0.82 1.09 0.00 -0.57 0.00 0.00 43.02 42.74 3a0k s PHE 233 CO 0.26 0.16 1.84 -0.35 -0.10 0.00 0.00 175.22 177.03 3a0k n PRO 234 N 0.95 0.03 -3.82 0.24 -0.04 -1.26 -3.58 135.00 127.53 3a0k n PRO 234 Ca -0.19 0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 3a0k n PRO 234 Cb 0.55 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3a0k n PRO 234 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3a0k s ASP 235 N -3.19 -0.04 -0.22 3.54 1.47 -1.26 -4.60 116.67 112.38 3a0k s ASP 235 Ca 0.13 -1.05 0.12 0.00 1.18 0.00 0.00 52.55 52.93 3a0k s ASP 235 Cb 0.18 0.83 0.71 0.00 -0.34 0.00 0.00 42.92 44.30 3a0k s ASP 235 CO 0.56 -1.62 1.60 0.00 0.68 0.00 0.00 175.17 176.39 3a0k n ALA 236 N -0.52 3.79 0.13 2.11 0.00 -1.26 -4.68 120.51 120.07 3a0k n ALA 236 Ca -0.08 -1.71 0.01 0.00 0.00 0.00 0.00 53.44 51.66 3a0k n ALA 236 Cb 0.60 -1.12 0.06 0.00 0.00 0.00 0.00 19.45 18.98 3a0k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59