#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 1.59 -0.08 0.00 1.01 -1.26 -5.04 116.67 112.88 3a0k s ASP 2 Ca 0.00 1.35 0.04 0.00 0.71 0.00 0.00 52.55 54.65 3a0k s ASP 2 Cb 0.00 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.84 3a0k s ASP 2 CO 0.00 -3.80 -0.23 -0.89 0.21 0.00 0.00 175.17 170.46 3a0k s THR 3 N -2.68 1.94 -0.05 -1.27 2.01 -1.26 -5.01 115.64 109.32 3a0k s THR 3 Ca 0.67 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3a0k s THR 3 Cb -0.22 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.63 3a0k s THR 3 CO 0.62 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.37 3a0k s ILE 4 N 0.23 0.79 -0.03 1.82 -1.09 -1.26 -2.87 121.20 118.78 3a0k s ILE 4 Ca -0.14 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.07 3a0k s ILE 4 Cb -0.16 -0.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.95 3a0k s ILE 4 CO 0.07 0.27 -0.25 -0.69 -1.23 0.00 0.00 174.94 173.11 3a0k s VAL 5 N 0.72 2.01 0.05 2.92 1.01 -0.19 0.25 120.40 127.17 3a0k s VAL 5 Ca -0.12 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 3a0k s VAL 5 Cb -0.14 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3a0k s VAL 5 CO 0.02 0.57 0.29 0.00 0.00 0.00 0.00 175.10 175.97 3a0k s ALA 6 N -0.48 -0.62 -0.20 5.51 0.00 0.30 -0.05 121.76 126.23 3a0k s ALA 6 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 3a0k s ALA 6 Cb -0.11 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3a0k s ALA 6 CO 0.00 -0.43 -0.06 0.08 0.00 0.00 0.00 175.76 175.35 3a0k s VAL 7 N -2.76 3.29 -0.09 0.00 1.01 0.55 -0.31 120.40 122.10 3a0k s VAL 7 Ca -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3a0k s VAL 7 Cb -0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3a0k s VAL 7 CO -0.05 0.45 -0.02 -1.83 0.00 0.00 0.00 175.10 173.66 3a0k s GLU 8 N 1.20 3.02 -0.52 2.72 -1.05 0.73 -0.94 118.70 123.86 3a0k s GLU 8 Ca 0.02 -0.45 -0.06 0.00 -0.15 0.00 0.00 54.97 54.33 3a0k s GLU 8 Cb -0.14 -2.77 0.13 0.00 -0.44 0.00 0.00 34.13 30.91 3a0k s GLU 8 CO -0.02 0.64 0.36 -0.51 0.95 0.00 0.00 175.26 176.68 3a0k s LEU 9 N -0.72 5.53 -0.43 1.83 1.02 0.14 -0.33 118.68 125.72 3a0k s LEU 9 Ca 0.11 -2.24 -0.12 0.00 0.02 0.00 0.00 54.13 51.89 3a0k s LEU 9 Cb -0.12 -1.93 0.06 0.00 0.02 0.00 0.00 46.19 44.22 3a0k s LEU 9 CO 0.02 -0.56 0.30 -0.62 0.02 0.00 0.00 176.35 175.51 3a0k s ASP 10 N 1.88 5.88 0.41 2.29 -1.08 0.78 -1.22 116.67 125.61 3a0k s ASP 10 Ca 0.10 -1.28 0.21 0.00 -0.52 0.00 0.00 52.55 51.06 3a0k s ASP 10 Cb -0.23 -2.08 0.79 0.00 -1.46 0.00 0.00 42.92 39.95 3a0k s ASP 10 CO -0.03 -0.54 1.78 0.28 0.52 0.00 0.00 175.17 177.18 3a0k h SER 11 N 8.56 0.00 -3.16 -0.34 0.02 -1.41 -0.56 113.55 116.65 3a0k h SER 11 Ca -0.26 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.12 3a0k h SER 11 Cb 1.10 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.28 3a0k h SER 11 CO 0.78 0.29 -0.82 -0.47 -1.14 0.00 0.00 176.83 175.48 3a0k s TYR 12 N -3.62 1.89 -0.09 3.45 6.14 -1.20 -4.37 117.35 119.56 3a0k s TYR 12 Ca 0.00 -1.05 -0.30 0.00 0.64 0.00 0.00 57.07 56.37 3a0k s TYR 12 Cb 0.10 -1.44 -0.03 0.00 0.42 0.00 0.00 41.96 41.01 3a0k s TYR 12 CO 0.66 -0.61 1.23 -2.14 0.64 0.00 0.00 175.55 175.33 3a0k s PRO 13 N 1.58 4.31 -0.87 4.97 0.02 -1.26 -4.91 135.00 138.83 3a0k s PRO 13 Ca 0.05 1.69 -0.00 0.00 0.02 0.00 0.00 61.00 62.75 3a0k s PRO 13 Cb -0.13 -3.63 0.22 0.00 0.02 0.00 0.00 34.50 30.98 3a0k s PRO 13 CO -0.10 -0.54 0.76 0.09 -0.33 0.00 0.00 177.00 176.89 3a0k n ASN 14 N 5.67 4.08 0.27 2.53 4.13 -1.26 -4.87 115.26 125.81 3a0k n ASN 14 Ca 0.12 -3.16 0.17 0.00 1.68 0.00 0.00 54.58 53.39 3a0k n ASN 14 Cb 0.46 -1.00 0.65 0.00 -1.54 0.00 0.00 39.78 38.34 3a0k n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3a0k h THR 15 N 4.04 0.00 -0.47 3.41 1.35 -1.84 0.66 112.91 120.05 3a0k h THR 15 Ca 0.16 -0.53 0.08 0.00 -0.55 0.00 0.00 66.41 65.58 3a0k h THR 15 Cb 0.79 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 3a0k h THR 15 CO 0.85 0.00 0.32 0.44 -0.25 0.00 0.00 175.52 176.88 3a0k h ASP 16 N 0.00 0.27 -0.57 5.36 3.32 -1.89 -1.41 116.42 121.49 3a0k h ASP 16 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.69 3a0k h ASP 16 Cb 0.53 -0.05 -0.23 0.00 0.22 0.00 0.00 39.33 39.80 3a0k h ASP 16 CO 0.00 0.17 -0.13 2.30 -1.72 0.00 0.00 179.24 179.86 3a0k n ILE 17 N -4.47 2.73 -0.71 0.35 -5.35 0.10 -4.94 119.36 107.08 3a0k n ILE 17 Ca 0.07 -3.19 0.00 0.00 -0.27 0.00 0.00 62.75 59.36 3a0k n ILE 17 Cb 0.33 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 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 -0.98 0.69 3.74 3.28 0.00 -0.53 -4.66 105.19 106.73 3a0k n GLY 18 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.24 4.86 1.01 1.61 1.01 -0.47 -4.87 116.67 117.59 3a0k s ASP 19 Ca 0.00 2.60 -0.12 0.00 0.71 0.00 0.00 52.55 55.74 3a0k s ASP 19 Cb 0.00 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.51 3a0k s ASP 19 CO 0.00 -1.83 1.08 -2.16 0.21 0.00 0.00 175.17 172.47 3a0k s PRO 20 N -3.27 0.32 -0.22 8.23 0.04 -1.26 -4.12 135.00 134.71 3a0k s PRO 20 Ca 0.79 0.70 0.01 0.00 0.04 0.00 0.00 61.00 62.55 3a0k s PRO 20 Cb -0.37 -1.71 0.26 0.00 0.04 0.00 0.00 34.50 32.72 3a0k s PRO 20 CO 0.40 -2.85 1.58 -1.13 0.04 0.00 0.00 177.00 175.04 3a0k n SER 21 N -4.29 4.23 -3.87 6.66 3.41 -1.26 -4.58 113.62 113.92 3a0k n SER 21 Ca 0.05 -2.79 -0.10 0.00 -0.26 0.00 0.00 58.87 55.78 3a0k n SER 21 Cb 0.56 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.49 0.19 0.43 7.33 -0.85 -1.26 -4.92 117.35 116.79 3a0k s TYR 22 Ca 0.26 -0.55 -0.26 0.00 -0.52 0.00 0.00 57.07 55.99 3a0k s TYR 22 Cb 0.21 0.11 -0.09 0.00 0.38 0.00 0.00 41.96 42.57 3a0k s TYR 22 CO 0.03 -0.79 1.45 -2.30 -1.52 0.00 0.00 175.55 172.43 3a0k n PRO 23 N -0.26 2.40 -3.63 -3.49 -0.02 -1.26 -4.53 135.00 124.21 3a0k n PRO 23 Ca -0.09 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3a0k n PRO 23 Cb 0.63 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.17 -0.26 0.17 6.00 -3.43 -0.22 -0.68 115.29 115.70 3a0k s HIS 24 Ca 0.58 0.09 0.04 0.00 -0.80 0.00 0.00 55.06 54.97 3a0k s HIS 24 Cb -0.46 0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 3a0k s HIS 24 CO 0.60 -0.65 0.23 0.96 -2.00 0.00 0.00 174.74 173.88 3a0k s ILE 25 N -3.14 4.97 0.01 -5.38 -4.36 -0.13 -0.16 121.20 113.01 3a0k s ILE 25 Ca -0.01 -0.89 -0.18 0.00 -0.26 0.00 0.00 60.65 59.32 3a0k s ILE 25 Cb 0.00 -3.57 0.03 0.00 1.25 0.00 0.00 42.46 40.18 3a0k s ILE 25 CO -0.07 -0.13 0.39 -0.83 0.24 0.00 0.00 174.94 174.54 3a0k s GLY 26 N -3.27 -0.24 -0.27 6.27 0.00 0.55 -1.06 107.32 109.31 3a0k s GLY 26 Ca 0.33 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 45.37 3a0k s GLY 26 CO 0.26 0.14 0.08 -0.42 0.00 0.00 0.00 173.10 173.16 3a0k s ILE 27 N -1.90 4.20 -0.16 0.90 1.01 -0.36 -0.19 121.20 124.69 3a0k s ILE 27 Ca -0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 3a0k s ILE 27 Cb -0.02 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3a0k s ILE 27 CO 0.01 0.24 -0.03 -1.81 0.00 0.00 0.00 174.94 173.35 3a0k s ASP 28 N 1.58 4.82 -0.27 3.58 1.01 0.58 0.90 116.67 128.86 3a0k s ASP 28 Ca 0.05 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.19 3a0k s ASP 28 Cb -0.16 -1.79 0.08 0.00 1.01 0.00 0.00 42.92 42.06 3a0k s ASP 28 CO 0.03 0.16 0.00 -0.63 0.21 0.00 0.00 175.17 174.94 3a0k s ILE 29 N 0.43 1.51 -0.86 0.77 -1.09 -1.26 -0.54 121.20 120.16 3a0k s ILE 29 Ca -0.03 -1.47 0.00 0.00 -2.23 0.00 0.00 60.65 56.92 3a0k s ILE 29 Cb -0.14 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 3a0k s ILE 29 CO 0.03 -0.33 0.00 0.29 -1.23 0.00 0.00 174.94 173.70 3a0k n LYS 30 N 4.63 -1.40 -3.56 2.79 5.02 0.14 -4.94 118.16 120.85 3a0k n LYS 30 Ca -0.06 0.73 -0.15 0.00 -2.02 0.00 0.00 58.31 56.81 3a0k n LYS 30 Cb 0.43 -4.94 -0.06 0.00 -0.02 0.00 0.00 35.03 30.44 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 -2.40 -0.59 0.43 4.39 0.15 -1.26 -4.91 113.70 109.51 3a0k s SER 31 Ca 0.00 0.77 0.30 0.00 0.70 0.00 0.00 55.95 57.72 3a0k s SER 31 Cb 0.00 0.65 1.21 0.00 -1.71 0.00 0.00 66.02 66.17 3a0k s SER 31 CO 0.00 -0.46 1.87 -0.29 1.20 0.00 0.00 173.24 175.56 3a0k h ILE 32 N 3.09 0.00 -2.13 6.45 6.09 -1.83 -3.39 117.51 125.79 3a0k h ILE 32 Ca -0.25 -0.39 -0.59 0.00 -1.37 0.00 0.00 64.86 62.25 3a0k h ILE 32 Cb 1.15 1.29 -0.11 0.00 0.47 0.00 0.00 36.82 39.62 3a0k h ILE 32 CO 0.30 0.00 1.02 -0.13 -3.07 0.00 0.00 178.15 176.27 3a0k s ARG 33 N -3.52 3.31 0.37 2.19 0.52 -1.26 -4.94 118.95 115.62 3a0k s ARG 33 Ca 0.02 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.21 3a0k s ARG 33 Cb 0.09 -4.56 -0.12 0.00 0.52 0.00 0.00 34.95 30.88 3a0k s ARG 33 CO 0.48 -2.04 1.00 0.43 0.02 0.00 0.00 175.30 175.19 3a0k n SER 34 N 8.54 1.24 0.25 0.23 7.64 -1.26 -4.77 113.62 125.50 3a0k n SER 34 Ca 0.11 1.09 0.15 0.00 1.01 0.00 0.00 58.87 61.23 3a0k n SER 34 Cb 0.49 -1.32 0.50 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.73 0.00 -2.05 1.43 1.79 0.18 -3.45 116.57 116.21 3a0k h LYS 35 Ca -0.42 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.00 3a0k h LYS 35 Cb 1.34 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.78 3a0k h LYS 35 CO 0.58 0.03 0.12 -1.54 -1.08 0.00 0.00 179.45 177.56 3a0k s SER 36 N -5.91 -0.72 0.13 0.86 1.04 -1.21 -5.00 113.70 102.91 3a0k s SER 36 Ca 0.03 1.29 0.01 0.00 0.48 0.00 0.00 55.95 57.76 3a0k s SER 36 Cb 0.08 1.29 -0.04 0.00 0.10 0.00 0.00 66.02 67.44 3a0k s SER 36 CO 0.59 -0.30 -0.01 0.42 0.98 0.00 0.00 173.24 174.92 3a0k s THR 37 N 0.12 0.53 0.03 2.02 -4.23 -1.26 -1.23 115.64 111.62 3a0k s THR 37 Ca -0.02 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3a0k s THR 37 Cb -0.04 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3a0k s THR 37 CO 0.02 -0.63 0.02 0.00 -0.54 0.00 0.00 174.62 173.49 3a0k s ALA 38 N -3.75 0.11 0.18 3.99 0.00 -0.22 -4.96 121.76 117.11 3a0k s ALA 38 Ca 0.19 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 3a0k s ALA 38 Cb 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.28 3a0k s ALA 38 CO -0.00 -0.25 1.56 0.50 0.00 0.00 0.00 175.76 177.57 3a0k s ARG 39 N -2.27 4.22 -0.30 0.00 3.52 -1.26 -0.96 118.95 121.90 3a0k s ARG 39 Ca -0.08 2.37 -0.04 0.00 -0.13 0.00 0.00 55.73 57.85 3a0k s ARG 39 Cb -0.04 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3a0k s ARG 39 CO -0.04 -0.59 0.03 -0.46 -0.81 0.00 0.00 175.30 173.43 3a0k s TRP 40 N 0.97 3.19 -0.99 5.12 -0.00 0.14 -4.76 118.94 122.61 3a0k s TRP 40 Ca 0.69 -1.50 -0.20 0.00 -0.00 0.00 0.00 56.10 55.08 3a0k s TRP 40 Cb -0.44 -2.17 0.09 0.00 -0.00 0.00 0.00 33.47 30.96 3a0k s TRP 40 CO 0.33 -0.72 1.30 -0.80 -0.00 0.00 0.00 176.95 177.06 3a0k s ASN 41 N 1.36 6.59 0.78 5.86 0.02 -1.26 -4.40 114.94 123.88 3a0k s ASN 41 Ca -0.02 -1.82 -0.11 0.00 -1.02 0.00 0.00 52.86 49.90 3a0k s ASN 41 Cb -0.18 -2.48 0.06 0.00 0.02 0.00 0.00 41.25 38.67 3a0k s ASN 41 CO -0.00 -1.26 1.11 -0.04 0.02 0.00 0.00 177.10 176.93 3a0k s MET 42 N 3.73 2.15 -0.41 -0.60 -1.94 -1.26 -4.97 119.30 116.00 3a0k s MET 42 Ca 0.40 1.28 0.03 0.00 -1.71 0.00 0.00 55.69 55.68 3a0k s MET 42 Cb -0.02 -1.88 0.16 0.00 2.01 0.00 0.00 34.83 35.10 3a0k s MET 42 CO -0.09 -1.74 0.32 -0.65 -0.01 0.00 0.00 175.02 172.86 3a0k s GLN 43 N -4.72 0.90 0.41 2.03 -0.21 -1.26 -5.10 119.66 111.70 3a0k s GLN 43 Ca 0.63 -2.02 -0.25 0.00 0.02 0.00 0.00 55.36 53.74 3a0k s GLN 43 Cb -0.19 -1.47 -0.11 0.00 1.00 0.00 0.00 33.01 32.25 3a0k s GLN 43 CO 0.54 -1.35 1.14 2.41 -2.12 0.00 0.00 175.29 175.91 3a0k n THR 44 N 3.01 2.45 0.00 -0.19 -1.04 -1.26 -1.20 114.28 116.06 3a0k n THR 44 Ca 0.27 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 3a0k n THR 44 Cb 0.46 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 1.00 2.92 3.75 3.41 0.00 0.11 -4.97 105.19 111.41 3a0k n GLY 45 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.03 3.06 0.02 1.61 -0.14 -0.34 -4.97 119.74 118.96 3a0k s LYS 46 Ca 0.00 -0.42 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 3a0k s LYS 46 Cb 0.00 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 3a0k s LYS 46 CO 0.00 0.68 1.15 0.08 -0.76 0.00 0.00 175.35 176.50 3a0k s VAL 47 N -1.06 4.27 0.30 3.17 1.01 -1.26 -4.35 120.40 122.48 3a0k s VAL 47 Ca 0.18 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.86 3a0k s VAL 47 Cb -0.12 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3a0k s VAL 47 CO 0.08 0.10 0.20 -0.83 0.00 0.00 0.00 175.10 174.65 3a0k s GLY 48 N 1.14 1.64 -0.01 4.51 0.00 0.21 -4.31 107.32 110.50 3a0k s GLY 48 Ca 0.56 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3a0k s GLY 48 CO 0.27 -1.57 -0.08 -1.59 0.00 0.00 0.00 173.10 170.12 3a0k s THR 49 N -2.26 0.70 -0.06 0.90 2.01 0.01 -0.30 115.64 116.64 3a0k s THR 49 Ca 0.36 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.07 3a0k s THR 49 Cb -0.06 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3a0k s THR 49 CO 0.25 0.21 -0.23 0.00 -0.69 0.00 0.00 174.62 174.16 3a0k s ALA 50 N -0.02 1.99 -0.12 7.40 0.00 0.69 -0.81 121.76 130.90 3a0k s ALA 50 Ca 0.01 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3a0k s ALA 50 Cb -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3a0k s ALA 50 CO -0.00 0.37 -0.21 -1.01 0.00 0.00 0.00 175.76 174.90 3a0k s HIS 51 N -0.05 2.51 -0.03 0.00 3.76 -0.11 -0.74 115.29 120.62 3a0k s HIS 51 Ca -0.05 -1.18 0.05 0.00 -0.15 0.00 0.00 55.06 53.72 3a0k s HIS 51 Cb -0.14 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3a0k s HIS 51 CO 0.04 -0.53 -0.17 0.42 -0.85 0.00 0.00 174.74 173.65 3a0k s ILE 52 N 0.69 1.35 0.09 0.60 1.01 0.89 -0.22 121.20 125.61 3a0k s ILE 52 Ca -0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 3a0k s ILE 52 Cb -0.16 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 3a0k s ILE 52 CO 0.01 0.39 0.17 -0.44 0.00 0.00 0.00 174.94 175.07 3a0k s SER 53 N -0.15 0.16 -0.10 3.58 0.01 0.04 -0.80 113.70 116.44 3a0k s SER 53 Ca 0.01 -0.72 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 3a0k s SER 53 Cb -0.09 0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.53 3a0k s SER 53 CO 0.01 -0.73 0.58 -0.47 0.41 0.00 0.00 173.24 173.04 3a0k s TYR 54 N -3.88 -0.56 -0.05 2.43 5.04 -0.34 -0.80 117.35 119.20 3a0k s TYR 54 Ca 0.06 1.10 -0.03 0.00 -2.44 0.00 0.00 57.07 55.77 3a0k s TYR 54 Cb 0.05 0.29 0.03 0.00 0.35 0.00 0.00 41.96 42.68 3a0k s TYR 54 CO -0.10 -0.48 0.11 1.21 -1.34 0.00 0.00 175.55 174.96 3a0k s ASN 55 N -0.77 -0.08 0.00 4.32 3.84 -1.25 -0.86 114.94 120.14 3a0k s ASN 55 Ca -0.08 0.23 0.25 0.00 0.21 0.00 0.00 52.86 53.47 3a0k s ASN 55 Cb -0.02 0.16 1.22 0.00 -0.55 0.00 0.00 41.25 42.06 3a0k s ASN 55 CO 0.06 -0.10 1.84 -1.54 -2.79 0.00 0.00 177.10 174.57 3a0k n SER 56 N 3.72 0.00 -0.08 -4.21 3.41 0.15 0.38 113.62 116.99 3a0k n SER 56 Ca -0.21 0.06 -0.18 0.00 -0.26 0.00 0.00 58.87 58.28 3a0k n SER 56 Cb 0.55 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.31 -0.16 -3.33 2.07 -1.88 -3.32 116.25 110.94 3a0k h VAL 57 Ca 0.00 -2.26 -0.06 0.00 0.82 0.00 0.00 66.70 65.19 3a0k h VAL 57 Cb 0.28 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3a0k h VAL 57 CO 0.00 0.46 -0.19 0.00 0.02 0.00 0.00 177.57 177.86 3a0k h ALA 58 N -0.26 1.39 -6.27 1.67 0.00 -1.94 -3.47 119.26 110.39 3a0k h ALA 58 Ca -0.20 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 54.00 3a0k h ALA 58 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3a0k h ALA 58 CO -0.11 0.42 -0.81 1.63 0.00 0.00 0.00 179.25 180.38 3a0k n LYS 59 N -4.21 -4.83 -3.96 0.00 5.02 0.16 -4.92 118.16 105.42 3a0k n LYS 59 Ca -0.01 0.57 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 3a0k n LYS 59 Cb 0.32 -5.20 -0.17 0.00 -0.02 0.00 0.00 35.03 29.96 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 -6.36 0.74 -0.17 1.97 3.52 -1.24 -0.56 118.95 116.85 3a0k s ARG 60 Ca 0.30 -0.01 -0.09 0.00 -0.13 0.00 0.00 55.73 55.80 3a0k s ARG 60 Cb -0.15 -0.92 -0.05 0.00 -1.56 0.00 0.00 34.95 32.28 3a0k s ARG 60 CO 0.84 -0.19 0.15 -1.17 -0.81 0.00 0.00 175.30 174.11 3a0k s LEU 61 N 1.44 4.28 0.08 -0.88 2.96 0.24 -3.83 118.68 122.96 3a0k s LEU 61 Ca -0.03 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3a0k s LEU 61 Cb -0.13 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3a0k s LEU 61 CO -0.03 0.25 -0.08 0.42 -1.32 0.00 0.00 176.35 175.59 3a0k s THR 62 N -0.11 0.70 -0.01 3.68 -4.23 0.02 0.25 115.64 115.94 3a0k s THR 62 Ca 0.11 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3a0k s THR 62 Cb -0.12 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.51 3a0k s THR 62 CO 0.01 -0.61 0.09 0.00 -0.54 0.00 0.00 174.62 173.56 3a0k s ALA 63 N -2.51 -0.20 0.05 3.99 0.00 0.48 -0.78 121.76 122.79 3a0k s ALA 63 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.02 3a0k s ALA 63 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3a0k s ALA 63 CO -0.02 -0.12 -0.14 0.08 0.00 0.00 0.00 175.76 175.57 3a0k s VAL 64 N -0.68 1.08 -0.04 0.00 1.01 0.69 -0.94 120.40 121.52 3a0k s VAL 64 Ca -0.08 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3a0k s VAL 64 Cb -0.05 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3a0k s VAL 64 CO 0.00 -0.11 -0.08 -0.69 0.00 0.00 0.00 175.10 174.22 3a0k s VAL 65 N -1.05 0.77 0.05 2.92 1.01 0.07 -0.94 120.40 123.23 3a0k s VAL 65 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3a0k s VAL 65 Cb -0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3a0k s VAL 65 CO 0.02 0.26 -0.05 -0.94 0.00 0.00 0.00 175.10 174.39 3a0k s SER 66 N 0.56 0.63 0.15 3.32 1.04 0.01 -0.64 113.70 118.77 3a0k s SER 66 Ca -0.09 -0.71 0.09 0.00 0.48 0.00 0.00 55.95 55.73 3a0k s SER 66 Cb -0.12 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3a0k s SER 66 CO 0.01 -0.36 -0.17 -0.31 0.98 0.00 0.00 173.24 173.39 3a0k s TYR 67 N -2.33 2.51 0.34 5.02 2.02 -1.26 -0.81 117.35 122.85 3a0k s TYR 67 Ca -0.05 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 3a0k s TYR 67 Cb -0.04 -1.29 -0.11 0.00 -0.40 0.00 0.00 41.96 40.13 3a0k s TYR 67 CO -0.03 0.44 1.54 -1.54 -1.57 0.00 0.00 175.55 174.39 3a0k s SER 68 N -2.45 6.35 0.00 2.29 1.04 -1.26 -1.62 113.70 118.04 3a0k s SER 68 Ca 0.20 3.02 0.00 0.00 0.48 0.00 0.00 55.95 59.65 3a0k s SER 68 Cb -0.09 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3a0k s SER 68 CO 0.11 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3a0k n GLY 69 N 1.16 0.68 3.31 7.32 0.00 -1.26 -5.01 105.19 111.39 3a0k n GLY 69 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3a0k n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a0k s SER 70 N -2.47 2.43 0.50 1.61 0.01 -0.64 -5.13 113.70 110.01 3a0k s SER 70 Ca 0.00 -0.89 -0.22 0.00 1.31 0.00 0.00 55.95 56.15 3a0k s SER 70 Cb 0.00 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.05 3a0k s SER 70 CO 0.00 -0.11 1.19 -0.44 0.41 0.00 0.00 173.24 174.29 3a0k s SER 71 N -2.79 5.86 0.67 2.44 0.01 -1.26 -4.50 113.70 114.13 3a0k s SER 71 Ca 0.16 2.35 -0.06 0.00 1.31 0.00 0.00 55.95 59.70 3a0k s SER 71 Cb -0.04 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.64 3a0k s SER 71 CO 0.05 -1.13 0.97 -0.94 0.41 0.00 0.00 173.24 172.61 3a0k s SER 72 N -1.42 5.03 -0.09 2.44 1.04 -1.26 -4.73 113.70 114.72 3a0k s SER 72 Ca 0.68 0.50 0.01 0.00 0.48 0.00 0.00 55.95 57.62 3a0k s SER 72 Cb -0.29 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 3a0k s SER 72 CO 0.35 -1.44 -0.12 -0.89 0.98 0.00 0.00 173.24 172.11 3a0k s THR 73 N -3.16 3.23 0.08 2.02 2.01 0.19 -4.94 115.64 115.06 3a0k s THR 73 Ca 0.58 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3a0k s THR 73 Cb -0.11 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3a0k s THR 73 CO 0.44 0.56 -0.13 0.42 -0.69 0.00 0.00 174.62 175.22 3a0k s THR 74 N -0.30 1.10 -0.06 -0.82 -4.23 -1.26 -0.75 115.64 109.31 3a0k s THR 74 Ca 0.03 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 3a0k s THR 74 Cb -0.13 -1.15 0.02 0.00 1.34 0.00 0.00 72.50 72.58 3a0k s THR 74 CO 0.03 -0.30 0.23 0.54 -0.54 0.00 0.00 174.62 174.57 3a0k s VAL 75 N -1.55 0.03 0.06 2.29 0.11 -0.11 -4.63 120.40 116.60 3a0k s VAL 75 Ca 0.00 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 3a0k s VAL 75 Cb -0.08 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3a0k s VAL 75 CO 0.02 -0.12 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.16 3a0k s SER 76 N -0.42 0.88 -0.17 3.54 0.01 -1.26 -0.39 113.70 115.89 3a0k s SER 76 Ca -0.05 -0.76 -0.14 0.00 1.31 0.00 0.00 55.95 56.31 3a0k s SER 76 Cb -0.04 0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.32 3a0k s SER 76 CO 0.01 -0.35 0.43 -0.47 0.41 0.00 0.00 173.24 173.28 3a0k s TYR 77 N -2.48 -0.52 -0.06 2.43 5.04 0.14 -4.86 117.35 117.05 3a0k s TYR 77 Ca -0.01 1.21 -0.30 0.00 -2.44 0.00 0.00 57.07 55.53 3a0k s TYR 77 Cb -0.03 0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.46 3a0k s TYR 77 CO -0.03 -0.26 1.09 -0.51 -1.34 0.00 0.00 175.55 174.50 3a0k s ASP 78 N 0.55 7.18 -0.10 4.32 1.11 -1.26 -0.59 116.67 127.88 3a0k s ASP 78 Ca -0.03 1.69 -0.19 0.00 0.18 0.00 0.00 52.55 54.21 3a0k s ASP 78 Cb -0.04 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.43 3a0k s ASP 78 CO -0.03 -0.47 0.45 0.54 1.18 0.00 0.00 175.17 176.84 3a0k s VAL 79 N 1.86 0.02 -0.38 -1.27 0.11 0.28 -4.94 120.40 116.09 3a0k s VAL 79 Ca 0.52 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 3a0k s VAL 79 Cb -0.22 -0.71 0.08 0.00 -1.53 0.00 0.00 36.38 34.01 3a0k s VAL 79 CO 0.22 -0.09 0.15 -0.62 -3.33 0.00 0.00 175.10 171.43 3a0k s ASP 80 N -0.58 5.24 0.46 3.54 -1.08 -1.26 -4.12 116.67 118.88 3a0k s ASP 80 Ca -0.07 -1.66 0.13 0.00 -0.52 0.00 0.00 52.55 50.43 3a0k s ASP 80 Cb -0.03 -1.83 1.07 0.00 -1.46 0.00 0.00 42.92 40.66 3a0k s ASP 80 CO 0.04 -0.45 2.07 -0.07 0.52 0.00 0.00 175.17 177.27 3a0k h LEU 81 N 8.12 0.12 -1.25 -1.34 4.07 -1.96 0.43 115.31 123.49 3a0k h LEU 81 Ca -0.18 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3a0k h LEU 81 Cb 1.06 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.77 3a0k h LEU 81 CO 0.66 0.16 0.00 0.71 -1.08 0.00 0.00 178.44 178.89 3a0k h THR 82 N 0.13 0.00 -0.67 0.22 1.35 -1.93 0.26 112.91 112.27 3a0k h THR 82 Ca 0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3a0k h THR 82 Cb 0.11 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3a0k h THR 82 CO 0.00 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.07 3a0k n ASN 83 N -2.53 3.80 0.00 5.36 5.15 0.14 -4.52 115.26 122.65 3a0k n ASN 83 Ca 0.01 -2.08 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 3a0k n ASN 83 Cb 0.20 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 3a0k n ASN 83 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3a0k n VAL 84 N 1.42 0.00 -3.96 3.44 0.31 0.02 -5.06 118.33 114.49 3a0k n VAL 84 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.29 3a0k n VAL 84 Cb 0.62 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 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 -5.74 4.25 1.07 7.52 1.43 0.69 -4.90 118.68 123.00 3a0k s LEU 85 Ca 0.00 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 3a0k s LEU 85 Cb 0.00 -2.84 0.23 0.00 0.03 0.00 0.00 46.19 43.61 3a0k s LEU 85 CO 0.00 0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 3a0k s PRO 86 N -3.02 -0.15 0.33 1.29 0.04 -1.26 -4.70 135.00 127.53 3a0k s PRO 86 Ca 0.34 0.83 0.16 0.00 0.04 0.00 0.00 61.00 62.38 3a0k s PRO 86 Cb -0.11 -1.64 0.48 0.00 0.04 0.00 0.00 34.50 33.27 3a0k s PRO 86 CO 0.27 -3.21 1.64 0.93 0.04 0.00 0.00 177.00 176.68 3a0k h GLU 87 N -2.25 0.00 -5.70 4.56 5.08 -1.94 -3.41 114.58 110.91 3a0k h GLU 87 Ca -0.57 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.13 3a0k h GLU 87 Cb 1.32 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.39 3a0k h GLU 87 CO 0.52 0.46 -0.64 -1.58 -1.00 0.00 0.00 179.01 176.77 3a0k s TRP 88 N -3.44 3.11 0.18 4.33 0.52 -1.26 -0.88 118.94 121.50 3a0k s TRP 88 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.13 3a0k s TRP 88 Cb 0.11 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3a0k s TRP 88 CO 0.71 0.26 0.11 0.14 0.02 0.00 0.00 176.95 178.20 3a0k s VAL 89 N -0.35 0.06 0.15 4.03 -7.23 0.17 -4.01 120.40 113.21 3a0k s VAL 89 Ca 0.07 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3a0k s VAL 89 Cb -0.12 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3a0k s VAL 89 CO 0.02 -0.13 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.48 3a0k s ARG 90 N -4.12 2.18 0.14 4.82 0.52 0.06 0.56 118.95 123.11 3a0k s ARG 90 Ca 0.35 -1.12 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 3a0k s ARG 90 Cb 0.07 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 3a0k s ARG 90 CO 0.09 0.47 -0.11 0.14 0.02 0.00 0.00 175.30 175.91 3a0k s VAL 91 N -1.50 3.21 0.15 3.52 -7.23 -1.26 -1.22 120.40 116.07 3a0k s VAL 91 Ca 0.24 -1.47 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 3a0k s VAL 91 Cb -0.10 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.38 3a0k s VAL 91 CO 0.16 0.01 1.04 -0.83 -0.31 0.00 0.00 175.10 175.17 3a0k s GLY 92 N -2.47 -0.06 0.04 2.32 0.00 0.14 -0.41 107.32 106.88 3a0k s GLY 92 Ca 0.22 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.95 3a0k s GLY 92 CO 0.14 1.38 -0.21 1.08 0.00 0.00 0.00 173.10 175.49 3a0k s LEU 93 N -3.20 2.48 0.16 0.66 1.43 0.10 -0.24 118.68 120.06 3a0k s LEU 93 Ca 0.18 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3a0k s LEU 93 Cb -0.01 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3a0k s LEU 93 CO 0.03 0.25 -0.06 -0.94 0.23 0.00 0.00 176.35 175.86 3a0k s SER 94 N -1.40 1.60 0.09 2.29 1.04 -0.37 -0.22 113.70 116.73 3a0k s SER 94 Ca 0.14 -1.07 -0.25 0.00 0.48 0.00 0.00 55.95 55.24 3a0k s SER 94 Cb -0.10 0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.12 3a0k s SER 94 CO 0.04 -0.42 0.68 0.00 0.98 0.00 0.00 173.24 174.52 3a0k s ALA 95 N -3.44 -1.68 0.06 5.32 0.00 0.12 -0.17 121.76 121.97 3a0k s ALA 95 Ca 0.19 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3a0k s ALA 95 Cb 0.04 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3a0k s ALA 95 CO 0.02 -0.68 0.10 0.95 0.00 0.00 0.00 175.76 176.15 3a0k s THR 96 N -3.18 0.16 0.39 0.00 -4.23 -0.48 -1.64 115.64 106.65 3a0k s THR 96 Ca -0.00 -1.30 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3a0k s THR 96 Cb -0.01 -1.22 -0.08 0.00 1.34 0.00 0.00 72.50 72.54 3a0k s THR 96 CO -0.09 -0.72 0.01 0.42 -0.54 0.00 0.00 174.62 173.71 3a0k s THR 97 N -3.40 1.87 0.00 3.99 -4.23 0.33 -0.76 115.64 113.44 3a0k s THR 97 Ca 0.02 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3a0k s THR 97 Cb 0.03 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3a0k s THR 97 CO -0.08 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3a0k n GLY 98 N -0.92 4.05 0.20 3.99 0.00 -1.26 -2.71 105.19 108.55 3a0k n GLY 98 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 0.61-10.42 0.99 6.46 -1.96 -0.76 115.31 110.23 3a0k h LEU 99 Ca 0.00 -0.22 -0.42 0.00 -0.12 0.00 0.00 57.88 57.12 3a0k h LEU 99 Cb 0.00 -0.16 0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3a0k h LEU 99 CO 0.00 0.67 -0.27 -0.31 -0.62 0.00 0.00 178.44 177.91 3a0k s TYR 100 N -5.35 2.86 0.20 1.25 2.02 -1.26 -4.88 117.35 112.19 3a0k s TYR 100 Ca -0.13 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 3a0k s TYR 100 Cb 0.10 -2.33 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3a0k s TYR 100 CO 0.77 -0.36 0.40 -1.59 -1.57 0.00 0.00 175.55 173.19 3a0k s LYS 101 N -4.33 1.35 -0.10 -0.62 -2.85 -1.16 -4.21 119.74 107.83 3a0k s LYS 101 Ca 0.54 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 54.03 3a0k s LYS 101 Cb -0.10 0.43 0.12 0.00 -2.06 0.00 0.00 37.83 36.23 3a0k s LYS 101 CO 0.33 -0.54 1.02 -1.83 0.10 0.00 0.00 175.35 174.44 3a0k s GLU 102 N -3.98 0.60 0.51 1.78 -1.05 -0.91 -2.78 118.70 112.86 3a0k s GLU 102 Ca 0.19 -0.17 -0.18 0.00 -0.15 0.00 0.00 54.97 54.66 3a0k s GLU 102 Cb 0.01 0.28 -0.08 0.00 -0.44 0.00 0.00 34.13 33.90 3a0k s GLU 102 CO 0.03 -0.25 1.00 0.95 0.95 0.00 0.00 175.26 177.94 3a0k s THR 103 N -2.59 4.29 -0.52 1.83 -4.23 0.96 -4.70 115.64 110.68 3a0k s THR 103 Ca 0.06 1.19 0.07 0.00 -1.18 0.00 0.00 61.69 61.83 3a0k s THR 103 Cb -0.01 -3.60 0.24 0.00 1.34 0.00 0.00 72.50 70.46 3a0k s THR 103 CO -0.06 -0.54 0.61 0.59 -0.54 0.00 0.00 174.62 174.68 3a0k n ASN 104 N -1.41 1.90 -4.69 3.99 3.02 -1.26 -3.93 115.26 112.87 3a0k n ASN 104 Ca 0.07 -3.04 -0.38 0.00 -0.03 0.00 0.00 54.58 51.21 3a0k n ASN 104 Cb 0.54 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.68 5.22 -0.22 3.41 2.01 -0.90 -1.67 115.64 121.80 3a0k s THR 105 Ca 0.36 0.72 -0.07 0.00 0.31 0.00 0.00 61.69 63.01 3a0k s THR 105 Cb 0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3a0k s THR 105 CO -0.08 0.30 0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 3a0k s ILE 106 N 1.00 4.33 -0.12 1.82 -1.09 0.39 -0.46 121.20 127.08 3a0k s ILE 106 Ca 0.20 -0.18 0.20 0.00 -2.23 0.00 0.00 60.65 58.64 3a0k s ILE 106 Cb -0.14 -2.99 -0.21 0.00 -1.58 0.00 0.00 42.46 37.53 3a0k s ILE 106 CO 0.07 0.39 0.58 0.18 -1.23 0.00 0.00 174.94 174.94 3a0k n LEU 107 N 4.42 0.38 -3.53 2.97 4.32 -0.08 -0.68 117.00 124.79 3a0k n LEU 107 Ca -0.16 0.16 -0.12 0.00 -0.02 0.00 0.00 56.01 55.86 3a0k n LEU 107 Cb 0.52 0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 42.38 3a0k n LEU 107 CO 0.32 0.11 0.63 -0.94 -1.22 0.00 0.00 177.39 176.29 3a0k s SER 108 N -5.20 -0.47 -0.25 -1.43 1.04 -1.21 -3.95 113.70 102.23 3a0k s SER 108 Ca -0.06 0.39 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 3a0k s SER 108 Cb 0.10 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.71 3a0k s SER 108 CO 0.85 -0.53 0.60 0.86 0.98 0.00 0.00 173.24 176.00 3a0k s TRP 109 N -1.75 -0.95 0.13 5.02 -0.00 -0.41 -1.17 118.94 119.82 3a0k s TRP 109 Ca -0.03 1.90 0.04 0.00 -0.00 0.00 0.00 56.10 58.01 3a0k s TRP 109 Cb -0.00 0.54 -0.04 0.00 -0.00 0.00 0.00 33.47 33.96 3a0k s TRP 109 CO 0.01 -0.48 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.84 3a0k s SER 110 N 1.66 1.63 -0.18 5.86 1.04 0.50 -0.21 113.70 124.00 3a0k s SER 110 Ca -0.09 -0.99 -0.25 0.00 0.48 0.00 0.00 55.95 55.10 3a0k s SER 110 Cb -0.06 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.13 3a0k s SER 110 CO -0.18 -0.35 0.64 0.12 0.98 0.00 0.00 173.24 174.45 3a0k s PHE 111 N -3.30 -0.67 -0.05 5.02 5.36 0.44 -1.07 117.98 123.71 3a0k s PHE 111 Ca 0.15 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.59 3a0k s PHE 111 Cb 0.03 0.28 0.04 0.00 -0.34 0.00 0.00 43.02 43.02 3a0k s PHE 111 CO -0.01 -0.42 0.11 0.99 -1.46 0.00 0.00 175.22 174.43 3a0k s THR 112 N -0.18 -0.09 0.12 0.12 2.01 0.12 -0.85 115.64 116.89 3a0k s THR 112 Ca -0.04 0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.30 3a0k s THR 112 Cb -0.03 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3a0k s THR 112 CO 0.04 0.10 -0.25 -0.55 -0.69 0.00 0.00 174.62 173.27 3a0k s SER 113 N 1.39 3.04 0.03 3.53 0.15 0.16 -0.06 113.70 121.94 3a0k s SER 113 Ca -0.06 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.88 3a0k s SER 113 Cb -0.12 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 3a0k s SER 113 CO -0.05 0.14 -0.05 -0.54 1.20 0.00 0.00 173.24 173.94 3a0k s LYS 114 N -1.95 0.41 -0.17 5.44 1.02 0.38 -0.78 119.74 124.09 3a0k s LYS 114 Ca 0.11 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.46 3a0k s LYS 114 Cb -0.10 -0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.14 3a0k s LYS 114 CO 0.05 0.00 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.83 3a0k s LEU 115 N -1.45 1.95 0.00 3.17 1.43 -0.22 -1.28 118.68 122.29 3a0k s LEU 115 Ca -0.12 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3a0k s LEU 115 Cb -0.10 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.87 3a0k s LEU 115 CO -0.00 -0.07 0.10 1.17 0.23 0.00 0.00 176.35 177.78 3a0k n LYS 116 N 4.71 1.01 -2.78 1.70 0.00 0.54 -1.17 118.16 122.17 3a0k n LYS 116 Ca -0.17 -2.72 -0.43 0.00 0.00 0.00 0.00 58.31 54.99 3a0k n LYS 116 Cb 0.49 0.60 -0.04 0.00 0.00 0.00 0.00 35.03 36.08 3a0k n LYS 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3a0k s THR 117 N -2.27 4.21 0.00 3.15 2.01 -1.26 0.79 115.64 122.27 3a0k s THR 117 Ca 0.07 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3a0k s THR 117 Cb -0.01 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 67.82 3a0k s THR 117 CO 0.05 -1.41 0.00 0.00 -0.69 0.00 0.00 174.62 172.56 3a0k n ALA 123 N 7.99 0.00 -3.40 7.40 0.00 -0.32 -4.92 120.51 127.26 3a0k n ALA 123 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3a0k n ALA 123 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 3a0k n ALA 123 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a0k s ASN 124 N 0.00 -0.46 -0.03 0.00 3.84 -0.43 -4.95 114.94 112.90 3a0k s ASN 124 Ca 0.00 0.51 -0.08 0.00 0.21 0.00 0.00 52.86 53.50 3a0k s ASN 124 Cb 0.00 0.52 0.01 0.00 -0.55 0.00 0.00 41.25 41.23 3a0k s ASN 124 CO 0.00 -0.50 0.18 0.00 -2.79 0.00 0.00 177.10 173.99 3a0k s ALA 125 N -1.08 -0.44 -0.02 1.71 0.00 -1.26 -1.05 121.76 119.63 3a0k s ALA 125 Ca -0.11 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3a0k s ALA 125 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3a0k s ALA 125 CO 0.07 -0.17 -0.07 -1.17 0.00 0.00 0.00 175.76 174.42 3a0k s LEU 126 N -0.77 1.86 -0.08 0.00 2.96 0.04 -4.97 118.68 117.73 3a0k s LEU 126 Ca -0.09 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3a0k s LEU 126 Cb -0.05 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.23 3a0k s LEU 126 CO 0.01 0.07 0.21 -2.28 -1.32 0.00 0.00 176.35 173.04 3a0k s HIS 127 N 0.06 -0.24 0.05 5.38 5.65 -1.26 0.39 115.29 125.33 3a0k s HIS 127 Ca -0.01 0.58 -0.04 0.00 0.25 0.00 0.00 55.06 55.84 3a0k s HIS 127 Cb -0.06 0.08 -0.02 0.00 -1.18 0.00 0.00 32.58 31.40 3a0k s HIS 127 CO -0.00 -0.12 0.05 -0.59 -0.65 0.00 0.00 174.74 173.43 3a0k s PHE 128 N 0.17 0.32 -0.17 3.88 -0.12 -0.03 -4.99 117.98 117.05 3a0k s PHE 128 Ca -0.00 -0.73 -0.10 0.00 -0.05 0.00 0.00 56.93 56.05 3a0k s PHE 128 Cb -0.02 -0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.20 3a0k s PHE 128 CO -0.00 -0.38 0.41 0.45 -0.05 0.00 0.00 175.22 175.65 3a0k s SER 129 N -2.46 -0.51 -0.11 1.98 0.15 -1.26 -0.42 113.70 111.07 3a0k s SER 129 Ca -0.00 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.55 3a0k s SER 129 Cb 0.02 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3a0k s SER 129 CO -0.07 -0.19 -0.15 -0.36 1.20 0.00 0.00 173.24 173.68 3a0k s PHE 130 N 1.21 1.96 -0.97 3.44 0.08 0.71 -4.95 117.98 119.45 3a0k s PHE 130 Ca -0.08 -0.94 0.21 0.00 0.12 0.00 0.00 56.93 56.24 3a0k s PHE 130 Cb -0.07 -1.43 -0.20 0.00 -0.57 0.00 0.00 43.02 40.75 3a0k s PHE 130 CO -0.11 -0.50 0.91 0.09 -0.10 0.00 0.00 175.22 175.52 3a0k n ASN 131 N 4.29 0.95 -3.57 1.36 3.02 -1.26 -1.29 115.26 118.76 3a0k n ASN 131 Ca -0.19 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.33 3a0k n ASN 131 Cb 0.51 0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 40.65 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 -3.01 1.29 -0.03 3.52 -2.07 -1.25 -4.68 119.66 113.42 3a0k s GLN 132 Ca 0.08 -0.57 0.06 0.00 -1.82 0.00 0.00 55.36 53.10 3a0k s GLN 132 Cb 0.16 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.60 3a0k s GLN 132 CO 0.86 -0.57 -0.19 -0.06 -1.32 0.00 0.00 175.29 174.01 3a0k s PHE 133 N -3.61 1.81 0.78 9.60 0.40 0.16 -5.02 117.98 122.09 3a0k s PHE 133 Ca 0.05 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 3a0k s PHE 133 Cb -0.02 -1.18 0.07 0.00 0.51 0.00 0.00 43.02 42.39 3a0k s PHE 133 CO -0.06 -0.09 1.18 0.99 0.70 0.00 0.00 175.22 177.94 3a0k s THR 134 N -0.29 2.39 0.55 0.64 2.01 -1.26 -4.36 115.64 115.31 3a0k s THR 134 Ca 0.03 0.17 0.23 0.00 0.31 0.00 0.00 61.69 62.42 3a0k s THR 134 Cb -0.09 -2.58 0.33 0.00 0.01 0.00 0.00 72.50 70.16 3a0k s THR 134 CO 0.00 -0.12 2.12 1.56 -0.69 0.00 0.00 174.62 177.49 3a0k h GLN 135 N -0.76 0.00 -2.70 4.92 7.50 -1.91 -3.29 115.11 118.87 3a0k h GLN 135 Ca -0.46 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.09 3a0k h GLN 135 Cb 1.28 0.00 -0.39 0.00 0.05 0.00 0.00 27.48 28.42 3a0k h GLN 135 CO 0.48 0.00 -0.82 1.21 -1.50 0.00 0.00 178.83 178.20 3a0k s ASN 136 N -6.49 2.95 -0.79 1.46 3.04 -1.26 -4.77 114.94 109.08 3a0k s ASN 136 Ca -0.05 -2.67 -0.23 0.00 0.04 0.00 0.00 52.86 49.95 3a0k s ASN 136 Cb 0.17 -0.71 0.07 0.00 -1.54 0.00 0.00 41.25 39.24 3a0k s ASN 136 CO 0.64 -0.24 1.16 -2.16 -3.04 0.00 0.00 177.10 173.45 3a0k s PRO 137 N 0.40 3.29 0.24 0.43 0.04 -1.24 -4.81 135.00 133.35 3a0k s PRO 137 Ca 0.22 -0.87 0.22 0.00 0.04 0.00 0.00 61.00 60.61 3a0k s PRO 137 Cb -0.15 -4.52 0.96 0.00 0.04 0.00 0.00 34.50 30.83 3a0k s PRO 137 CO -0.06 -1.97 1.66 1.63 0.04 0.00 0.00 177.00 178.31 3a0k n LYS 138 N 8.17 0.16 -0.23 4.56 5.02 -1.26 -1.12 118.16 133.46 3a0k n LYS 138 Ca 0.09 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 3a0k n LYS 138 Cb 0.48 -1.84 0.22 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.16 3.42 -4.45 4.39 5.75 -1.26 -4.88 116.55 117.35 3a0k n ASP 139 Ca 0.02 -1.96 -0.30 0.00 -0.01 0.00 0.00 54.79 52.54 3a0k n ASP 139 Cb 0.19 -0.30 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 3a0k n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a0k s LEU 140 N -1.21 2.59 -0.39 -2.12 1.43 -0.28 0.24 118.68 118.95 3a0k s LEU 140 Ca 0.37 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3a0k s LEU 140 Cb 0.21 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3a0k s LEU 140 CO 0.28 0.23 0.23 -0.63 0.23 0.00 0.00 176.35 176.69 3a0k s ILE 141 N -0.98 4.73 -0.11 -0.59 1.01 0.19 -4.86 121.20 120.59 3a0k s ILE 141 Ca 0.15 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 3a0k s ILE 141 Cb -0.10 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3a0k s ILE 141 CO 0.06 -0.27 0.35 -0.76 0.00 0.00 0.00 174.94 174.33 3a0k s LEU 142 N 1.58 4.31 0.12 2.97 1.43 -1.26 -0.85 118.68 126.98 3a0k s LEU 142 Ca 0.03 0.68 0.09 0.00 -1.03 0.00 0.00 54.13 53.90 3a0k s LEU 142 Cb -0.19 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3a0k s LEU 142 CO 0.07 0.14 -0.23 -1.10 0.23 0.00 0.00 176.35 175.46 3a0k s GLN 143 N 0.10 1.24 7.65 1.70 -0.21 0.12 -4.92 119.66 125.34 3a0k s GLN 143 Ca 0.20 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.33 3a0k s GLN 143 Cb -0.14 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.28 3a0k s GLN 143 CO 0.07 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 3a0k n GLY 144 N 0.98 3.53 0.47 3.09 0.00 -1.26 -1.37 105.19 110.63 3a0k n GLY 144 Ca -0.19 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 4.44 1.43 -4.76 1.61 8.00 0.16 -4.93 116.55 122.51 3a0k n ASP 145 Ca 0.00 -1.59 -0.41 0.00 0.71 0.00 0.00 54.79 53.50 3a0k n ASP 145 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.88 3.51 0.26 2.24 0.00 -0.75 -4.51 121.76 120.63 3a0k s ALA 146 Ca 0.34 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.42 3a0k s ALA 146 Cb 0.18 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3a0k s ALA 146 CO 0.29 -0.58 0.42 0.95 0.00 0.00 0.00 175.76 176.84 3a0k s THR 147 N -0.67 0.00 0.10 0.00 -4.23 -0.47 -4.65 115.64 105.72 3a0k s THR 147 Ca 0.52 -1.55 0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3a0k s THR 147 Cb -0.38 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 3a0k s THR 147 CO 0.47 0.00 -0.20 0.42 -0.54 0.00 0.00 174.62 174.77 3a0k s THR 148 N -3.78 2.69 0.38 3.99 -4.23 -1.26 0.28 115.64 113.72 3a0k s THR 148 Ca 0.27 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 3a0k s THR 148 Cb 0.01 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.68 3a0k s THR 148 CO 0.12 0.15 0.26 -0.90 -0.54 0.00 0.00 174.62 173.72 3a0k n ASP 149 N 1.00 2.28 -4.21 3.99 3.85 0.18 -4.90 116.55 118.74 3a0k n ASP 149 Ca -0.16 -2.33 -0.28 0.00 -0.71 0.00 0.00 54.79 51.31 3a0k n ASP 149 Cb 0.53 -0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.47 3a0k n ASP 149 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3a0k s SER 150 N -3.21 3.31 0.00 -1.12 0.15 -1.26 -2.49 113.70 109.09 3a0k s SER 150 Ca 0.20 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.73 3a0k s SER 150 Cb -0.02 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3a0k s SER 150 CO 0.12 -2.58 0.00 0.47 1.20 0.00 0.00 173.24 172.46 3a0k n ASP 151 N -3.50 0.00 -0.31 5.45 9.92 -1.26 -4.33 116.55 122.52 3a0k n ASP 151 Ca 0.17 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.39 3a0k n ASP 151 Cb 0.60 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.06 3a0k n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a0k n GLY 152 N -2.00 0.64 3.91 0.44 0.00 -1.04 -4.92 105.19 102.23 3a0k n GLY 152 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.95 6.43 -0.43 1.61 0.01 -1.26 0.36 114.94 118.72 3a0k s ASN 153 Ca 0.00 0.57 -0.19 0.00 -0.71 0.00 0.00 52.86 52.53 3a0k s ASN 153 Cb 0.00 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.60 3a0k s ASN 153 CO 0.00 -0.11 0.54 -0.22 -1.51 0.00 0.00 177.10 175.80 3a0k s LEU 154 N -3.36 4.69 -0.63 0.60 2.96 0.14 -0.65 118.68 122.43 3a0k s LEU 154 Ca 0.41 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.60 3a0k s LEU 154 Cb -0.11 -2.55 0.09 0.00 0.50 0.00 0.00 46.19 44.12 3a0k s LEU 154 CO 0.29 -0.68 0.85 -1.61 -1.32 0.00 0.00 176.35 173.88 3a0k s GLU 155 N 2.46 3.08 0.24 1.98 0.41 0.14 0.15 118.70 127.16 3a0k s GLU 155 Ca 0.17 -1.05 -0.04 0.00 -0.41 0.00 0.00 54.97 53.64 3a0k s GLU 155 Cb -0.16 -4.25 0.26 0.00 -1.78 0.00 0.00 34.13 28.20 3a0k s GLU 155 CO 0.16 -1.70 1.71 -0.07 -0.49 0.00 0.00 175.26 174.88 3a0k h LEU 156 N 10.75 0.82 -9.49 1.80 3.38 -1.55 -1.24 115.31 119.78 3a0k h LEU 156 Ca -0.29 -0.22 -0.60 0.00 0.09 0.00 0.00 57.88 56.86 3a0k h LEU 156 Cb 1.08 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 3a0k h LEU 156 CO 1.15 0.91 -0.66 0.42 0.09 0.00 0.00 178.44 180.35 3a0k s THR 157 N -4.91 2.54 0.23 0.22 -4.23 -1.26 -2.90 115.64 105.33 3a0k s THR 157 Ca -0.10 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.01 3a0k s THR 157 Cb 0.14 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 3a0k s THR 157 CO 0.82 -0.24 1.26 -0.75 -0.54 0.00 0.00 174.62 175.18 3a0k s LYS 158 N -3.65 4.43 0.15 3.99 2.47 -1.26 -4.72 119.74 121.15 3a0k s LYS 158 Ca 0.33 2.02 0.07 0.00 -1.56 0.00 0.00 55.97 56.84 3a0k s LYS 158 Cb -0.00 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 3a0k s LYS 158 CO 0.18 -0.15 -0.17 0.08 0.16 0.00 0.00 175.35 175.45 3a0k s VAL 159 N -0.32 1.62 0.88 4.02 1.01 -1.26 -0.80 120.40 125.55 3a0k s VAL 159 Ca 0.53 -1.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 3a0k s VAL 159 Cb -0.36 -1.72 0.12 0.00 0.00 0.00 0.00 36.38 34.42 3a0k s VAL 159 CO 0.41 -0.35 1.14 -0.94 0.00 0.00 0.00 175.10 175.36 3a0k s SER 160 N -2.57 3.79 0.47 3.32 1.04 0.61 -4.80 113.70 115.55 3a0k s SER 160 Ca 0.13 0.98 0.26 0.00 0.48 0.00 0.00 55.95 57.79 3a0k s SER 160 Cb -0.05 -1.56 1.40 0.00 0.10 0.00 0.00 66.02 65.90 3a0k s SER 160 CO 0.05 -2.38 1.76 0.77 0.98 0.00 0.00 173.24 174.42 3a0k h SER 161 N -1.38 0.00 0.24 7.02 4.64 -2.01 1.26 113.55 123.32 3a0k h SER 161 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3a0k h SER 161 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3a0k h SER 161 CO 0.62 0.00 -0.61 -1.54 -0.87 0.00 0.00 176.83 174.44 3a0k n SER 162 N -2.50 0.93 0.00 4.97 3.41 -1.26 -4.94 113.62 114.22 3a0k n SER 162 Ca -0.02 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3a0k n SER 162 Cb 0.19 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.46 1.02 3.72 5.00 0.00 0.43 -5.05 105.19 111.77 3a0k n GLY 163 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3a0k n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a0k s SER 164 N -2.00 7.16 0.38 1.61 1.04 -1.25 -4.56 113.70 116.09 3a0k s SER 164 Ca 0.00 1.40 -0.26 0.00 0.48 0.00 0.00 55.95 57.58 3a0k s SER 164 Cb 0.00 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 3a0k s SER 164 CO 0.00 -0.13 1.17 -2.16 0.98 0.00 0.00 173.24 173.09 3a0k s PRO 165 N 0.68 4.13 0.13 4.02 0.04 -1.26 0.23 135.00 142.97 3a0k s PRO 165 Ca 0.42 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.34 3a0k s PRO 165 Cb -0.19 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3a0k s PRO 165 CO 0.22 -0.25 0.18 -0.65 0.04 0.00 0.00 177.00 176.55 3a0k s GLN 166 N -2.20 3.13 0.95 4.56 -1.52 0.02 -4.81 119.66 119.79 3a0k s GLN 166 Ca 0.55 -0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 53.11 3a0k s GLN 166 Cb -0.31 -2.81 0.17 0.00 -0.22 0.00 0.00 33.01 29.85 3a0k s GLN 166 CO 0.39 0.52 1.24 0.20 -0.25 0.00 0.00 175.29 177.39 3a0k s GLY 167 N -2.96 1.68 -1.57 3.09 0.00 -1.26 -4.31 107.32 101.99 3a0k s GLY 167 Ca 0.32 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 3a0k s GLY 167 CO 0.25 -0.26 0.81 1.44 0.00 0.00 0.00 173.10 175.34 3a0k n SER 168 N -3.78 -3.33 -4.53 1.64 7.64 -0.29 -4.82 113.62 106.15 3a0k n SER 168 Ca 0.12 -0.91 -0.30 0.00 1.01 0.00 0.00 58.87 58.79 3a0k n SER 168 Cb 0.60 -3.32 -0.11 0.00 -1.01 0.00 0.00 64.21 60.37 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 -3.52 4.12 -0.04 6.43 0.15 -1.10 -4.93 113.70 114.81 3a0k s SER 169 Ca 0.56 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 3a0k s SER 169 Cb -0.29 -0.70 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3a0k s SER 169 CO 0.88 0.20 0.10 0.54 1.20 0.00 0.00 173.24 176.16 3a0k s VAL 170 N -1.13 -0.00 0.00 4.45 0.11 -1.26 -0.51 120.40 122.06 3a0k s VAL 170 Ca 0.19 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.02 3a0k s VAL 170 Cb -0.11 -0.15 0.05 0.00 -1.53 0.00 0.00 36.38 34.64 3a0k s VAL 170 CO 0.11 0.00 0.51 -0.83 -3.33 0.00 0.00 175.10 171.56 3a0k s GLY 171 N 0.10 -0.39 0.06 6.54 0.00 -0.65 0.37 107.32 113.35 3a0k s GLY 171 Ca -0.00 0.73 -0.08 0.00 0.00 0.00 0.00 44.72 45.37 3a0k s GLY 171 CO -0.00 0.44 0.15 0.50 0.00 0.00 0.00 173.10 174.19 3a0k s ARG 172 N -1.78 0.74 -0.05 2.90 0.52 -0.47 -0.70 118.95 120.11 3a0k s ARG 172 Ca -0.09 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3a0k s ARG 172 Cb -0.02 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.78 3a0k s ARG 172 CO 0.03 -0.21 0.00 0.00 0.02 0.00 0.00 175.30 175.14 3a0k s ALA 173 N -3.33 0.47 -0.05 2.13 0.00 0.69 0.13 121.76 121.81 3a0k s ALA 173 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3a0k s ALA 173 Cb 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3a0k s ALA 173 CO -0.08 -0.24 -0.08 -0.51 0.00 0.00 0.00 175.76 174.85 3a0k s LEU 174 N 1.46 3.13 0.44 0.00 1.43 -0.03 0.01 118.68 125.11 3a0k s LEU 174 Ca -0.03 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 3a0k s LEU 174 Cb -0.13 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 3a0k s LEU 174 CO -0.03 0.35 1.17 0.12 0.23 0.00 0.00 176.35 178.19 3a0k s PHE 175 N -0.84 2.94 0.15 0.29 5.36 0.45 0.52 117.98 126.85 3a0k s PHE 175 Ca 0.13 1.54 -0.11 0.00 -0.96 0.00 0.00 56.93 57.53 3a0k s PHE 175 Cb -0.11 -3.40 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 3a0k s PHE 175 CO 0.02 -1.46 1.49 -0.92 -1.46 0.00 0.00 175.22 172.89 3a0k h TYR 176 N 2.29 1.14 -3.58 10.12 5.03 -0.54 -3.42 116.97 128.01 3a0k h TYR 176 Ca -0.49 -0.33 -0.52 0.00 2.58 0.00 0.00 58.73 59.97 3a0k h TYR 176 Cb 1.24 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 39.25 3a0k h TYR 176 CO 0.54 1.17 0.28 0.00 -1.32 0.00 0.00 178.16 178.83 3a0k s ALA 177 N -4.45 3.33 0.66 1.82 0.00 -1.26 -5.00 121.76 116.86 3a0k s ALA 177 Ca -0.11 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3a0k s ALA 177 Cb 0.11 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3a0k s ALA 177 CO 0.88 0.12 1.27 -2.14 0.00 0.00 0.00 175.76 175.89 3a0k s PRO 178 N -0.54 2.53 -0.05 0.00 0.02 -1.26 -4.76 135.00 130.94 3a0k s PRO 178 Ca 0.41 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.46 3a0k s PRO 178 Cb -0.23 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 3a0k s PRO 178 CO 0.28 -1.59 -0.18 0.08 -0.33 0.00 0.00 177.00 175.26 3a0k s VAL 179 N -1.52 2.69 -0.95 3.83 1.01 0.19 -4.92 120.40 120.73 3a0k s VAL 179 Ca 0.81 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3a0k s VAL 179 Cb -0.35 -2.03 0.18 0.00 0.00 0.00 0.00 36.38 34.18 3a0k s VAL 179 CO 0.40 0.58 1.04 -2.28 0.00 0.00 0.00 175.10 174.83 3a0k s HIS 180 N -0.49 3.53 -0.34 5.22 2.46 -1.26 -0.65 115.29 123.76 3a0k s HIS 180 Ca 0.06 -1.85 0.20 0.00 0.47 0.00 0.00 55.06 53.94 3a0k s HIS 180 Cb -0.12 -4.07 0.26 0.00 -0.13 0.00 0.00 32.58 28.52 3a0k s HIS 180 CO 0.01 -1.24 1.56 0.97 -2.47 0.00 0.00 174.74 173.57 3a0k h ILE 181 N 5.06 0.29 -3.12 0.89 6.09 -1.32 -3.45 117.51 121.96 3a0k h ILE 181 Ca 0.16 -1.41 -0.01 0.00 -1.37 0.00 0.00 64.86 62.24 3a0k h ILE 181 Cb 0.99 2.14 -0.11 0.00 0.47 0.00 0.00 36.82 40.32 3a0k h ILE 181 CO 0.99 0.17 0.14 -1.66 -3.07 0.00 0.00 178.15 174.71 3a0k s TRP 182 N -3.13 -0.35 -0.15 2.19 1.48 -1.18 -4.64 118.94 113.16 3a0k s TRP 182 Ca 0.06 0.05 -0.28 0.00 -1.06 0.00 0.00 56.10 54.87 3a0k s TRP 182 Cb 0.06 0.51 0.07 0.00 -1.16 0.00 0.00 33.47 32.95 3a0k s TRP 182 CO 0.69 -0.91 0.73 -2.00 -4.06 0.00 0.00 176.95 171.40 3a0k s GLU 183 N -3.81 0.93 0.44 3.25 -6.30 -1.26 -4.63 118.70 107.31 3a0k s GLU 183 Ca 0.05 0.57 0.20 0.00 -2.50 0.00 0.00 54.97 53.29 3a0k s GLU 183 Cb -0.01 0.44 1.03 0.00 0.00 0.00 0.00 34.13 35.59 3a0k s GLU 183 CO -0.07 -0.22 1.92 0.66 0.02 0.00 0.00 175.26 177.57 3a0k h SER 184 N 3.84 0.00 -0.30 -1.70 4.64 -2.01 -1.28 113.55 116.74 3a0k h SER 184 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3a0k h SER 184 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3a0k h SER 184 CO 0.24 0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 174.90 3a0k n SER 185 N -3.83 3.18 -4.76 4.97 3.41 -1.26 -4.92 113.62 110.40 3a0k n SER 185 Ca -0.02 -1.96 -0.40 0.00 -0.26 0.00 0.00 58.87 56.24 3a0k n SER 185 Cb 0.34 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.62 3.36 0.05 7.33 0.00 -0.48 -4.79 121.76 125.60 3a0k s ALA 186 Ca 0.36 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.10 3a0k s ALA 186 Cb 0.22 -3.35 -0.32 0.00 0.00 0.00 0.00 23.12 19.67 3a0k s ALA 186 CO 0.31 -0.26 1.06 0.28 0.00 0.00 0.00 175.76 177.15 3a0k h VAL 187 N 2.92 1.28 -3.75 0.00 2.07 0.06 -3.46 116.25 115.38 3a0k h VAL 187 Ca -0.47 -2.56 -0.26 0.00 0.82 0.00 0.00 66.70 64.23 3a0k h VAL 187 Cb 1.22 2.83 -0.29 0.00 -1.52 0.00 0.00 31.29 33.53 3a0k h VAL 187 CO 0.66 0.77 -0.73 -0.69 0.02 0.00 0.00 177.57 177.60 3a0k s VAL 188 N -2.83 0.10 0.02 2.57 1.01 -1.06 -4.84 120.40 115.37 3a0k s VAL 188 Ca -0.09 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3a0k s VAL 188 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3a0k s VAL 188 CO 0.94 0.04 -0.24 0.00 0.00 0.00 0.00 175.10 175.84 3a0k s ALA 189 N 0.08 2.00 0.12 5.51 0.00 -1.26 -0.34 121.76 127.86 3a0k s ALA 189 Ca -0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 3a0k s ALA 189 Cb -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3a0k s ALA 189 CO -0.00 0.47 0.27 -1.54 0.00 0.00 0.00 175.76 174.96 3a0k s SER 190 N -0.99 0.00 0.15 0.00 1.04 -0.40 0.31 113.70 113.82 3a0k s SER 190 Ca 0.10 -0.61 -0.20 0.00 0.48 0.00 0.00 55.95 55.72 3a0k s SER 190 Cb -0.09 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.48 3a0k s SER 190 CO 0.01 -0.80 0.52 0.72 0.98 0.00 0.00 173.24 174.66 3a0k s PHE 191 N -3.87 -0.37 -0.05 5.02 -0.12 -0.04 -0.47 117.98 118.08 3a0k s PHE 191 Ca 0.07 0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 57.00 3a0k s PHE 191 Cb 0.04 0.43 0.01 0.00 -0.63 0.00 0.00 43.02 42.87 3a0k s PHE 191 CO -0.09 -0.80 0.14 -0.51 -0.05 0.00 0.00 175.22 173.91 3a0k s ASP 192 N -2.78 -0.14 -0.02 1.98 1.11 0.92 -1.19 116.67 116.54 3a0k s ASP 192 Ca 0.03 0.27 -0.05 0.00 0.18 0.00 0.00 52.55 52.98 3a0k s ASP 192 Cb 0.00 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.28 3a0k s ASP 192 CO -0.11 -0.05 0.10 0.00 1.18 0.00 0.00 175.17 176.29 3a0k s ALA 193 N 0.06 -0.25 0.03 5.23 0.00 0.02 0.10 121.76 126.95 3a0k s ALA 193 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3a0k s ALA 193 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3a0k s ALA 193 CO 0.00 -0.13 -0.06 -0.08 0.00 0.00 0.00 175.76 175.49 3a0k s THR 194 N -0.68 0.41 0.02 0.00 -1.32 -0.23 -0.08 115.64 113.76 3a0k s THR 194 Ca -0.08 -0.88 -0.09 0.00 -1.21 0.00 0.00 61.69 59.44 3a0k s THR 194 Cb -0.05 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 3a0k s THR 194 CO 0.01 -0.32 0.18 0.72 -2.21 0.00 0.00 174.62 173.00 3a0k s PHE 195 N -1.16 0.03 0.02 9.09 -0.71 0.08 -0.37 117.98 124.96 3a0k s PHE 195 Ca -0.09 -0.17 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 3a0k s PHE 195 Cb -0.08 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3a0k s PHE 195 CO 0.00 -0.37 -0.11 0.95 -1.34 0.00 0.00 175.22 174.35 3a0k s THR 196 N -1.99 3.29 0.06 -4.49 -4.23 -0.31 -0.22 115.64 107.75 3a0k s THR 196 Ca -0.10 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3a0k s THR 196 Cb -0.04 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3a0k s THR 196 CO -0.01 0.35 0.01 0.72 -0.54 0.00 0.00 174.62 175.15 3a0k s PHE 197 N -0.98 0.51 -0.20 3.99 -0.12 0.58 -0.91 117.98 120.86 3a0k s PHE 197 Ca 0.16 -1.03 -0.02 0.00 -0.05 0.00 0.00 56.93 55.99 3a0k s PHE 197 Cb -0.11 -0.36 0.06 0.00 -0.63 0.00 0.00 43.02 41.98 3a0k s PHE 197 CO 0.07 -0.42 0.03 -1.17 -0.05 0.00 0.00 175.22 173.68 3a0k s LEU 198 N -2.93 1.32 -0.28 -1.99 0.20 0.40 -0.61 118.68 114.78 3a0k s LEU 198 Ca 0.09 -0.87 -0.09 0.00 0.69 0.00 0.00 54.13 53.95 3a0k s LEU 198 Cb 0.08 -0.65 -0.02 0.00 -0.43 0.00 0.00 46.19 45.17 3a0k s LEU 198 CO -0.09 -0.30 0.12 -0.63 -0.29 0.00 0.00 176.35 175.16 3a0k s ILE 199 N 1.81 4.55 0.13 6.68 1.01 -1.26 -2.12 121.20 132.00 3a0k s ILE 199 Ca -0.01 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.47 3a0k s ILE 199 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3a0k s ILE 199 CO -0.08 0.20 -0.21 -0.54 0.00 0.00 0.00 174.94 174.31 3a0k s LYS 200 N 1.63 1.23 -0.15 2.79 1.02 -1.25 0.08 119.74 125.08 3a0k s LYS 200 Ca 0.06 -1.28 -0.26 0.00 0.02 0.00 0.00 55.97 54.50 3a0k s LYS 200 Cb -0.16 -1.48 0.07 0.00 -0.52 0.00 0.00 37.83 35.73 3a0k s LYS 200 CO 0.06 0.33 0.66 0.45 -0.92 0.00 0.00 175.35 175.93 3a0k s SER 201 N -2.19 -0.66 0.00 2.83 0.15 -1.26 -0.03 113.70 112.53 3a0k s SER 201 Ca 0.11 1.02 0.27 0.00 0.70 0.00 0.00 55.95 58.05 3a0k s SER 201 Cb -0.09 0.96 0.78 0.00 -1.71 0.00 0.00 66.02 65.96 3a0k s SER 201 CO 0.06 -0.41 1.58 -0.81 1.20 0.00 0.00 173.24 174.86 3a0k n PRO 202 N 1.85 1.62 -2.90 5.44 -0.04 -1.26 -4.89 135.00 134.82 3a0k n PRO 202 Ca -0.17 -1.07 -0.36 0.00 -0.04 0.00 0.00 63.50 61.87 3a0k n PRO 202 Cb 0.56 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.11 7.15 0.18 3.54 1.11 -1.26 -4.92 116.67 120.36 3a0k s ASP 203 Ca 0.33 1.65 0.26 0.00 0.18 0.00 0.00 52.55 54.97 3a0k s ASP 203 Cb 0.20 -2.51 0.77 0.00 1.07 0.00 0.00 42.92 42.45 3a0k s ASP 203 CO 0.37 -0.10 1.72 -1.54 1.18 0.00 0.00 175.17 176.80 3a0k n SER 204 N 0.31 0.75 -3.69 0.27 3.41 -1.26 -3.82 113.62 109.59 3a0k n SER 204 Ca 0.02 0.50 -0.28 0.00 -0.26 0.00 0.00 58.87 58.86 3a0k n SER 204 Cb 0.51 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3a0k n SER 204 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3a0k n GLU 205 N -2.19 1.19 -0.93 4.33 4.07 -1.26 -5.11 120.64 120.75 3a0k n GLU 205 Ca 0.05 -3.97 -0.32 0.00 -0.06 0.00 0.00 57.16 52.86 3a0k n GLU 205 Cb 0.43 -2.04 0.14 0.00 -0.06 0.00 0.00 31.44 29.91 3a0k n GLU 205 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3a0k s PRO 206 N -0.89 1.40 0.20 5.31 0.04 -1.25 -4.52 135.00 135.29 3a0k s PRO 206 Ca 0.28 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 3a0k s PRO 206 Cb -0.01 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.81 3a0k s PRO 206 CO -0.18 -2.35 0.75 0.00 0.04 0.00 0.00 177.00 175.26 3a0k s ALA 207 N -2.50 -1.45 -0.15 8.56 0.00 -1.12 -4.15 121.76 120.95 3a0k s ALA 207 Ca 0.68 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3a0k s ALA 207 Cb -0.24 0.78 -0.10 0.00 0.00 0.00 0.00 23.12 23.56 3a0k s ALA 207 CO 0.55 -0.94 -0.12 -0.25 0.00 0.00 0.00 175.76 175.00 3a0k n ASP 208 N -0.42 2.77 0.00 0.00 8.00 0.06 -2.15 116.55 124.80 3a0k n ASP 208 Ca -0.08 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3a0k n ASP 208 Cb 0.61 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 2.74 0.66 3.18 0.44 0.00 -1.05 -1.23 105.19 109.92 3a0k n GLY 209 Ca -0.26 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 0.73 0.08 -0.61 -4.36 -0.36 -1.38 121.20 113.29 3a0k s ILE 210 Ca 0.00 -1.94 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3a0k s ILE 210 Cb 0.00 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 3a0k s ILE 210 CO 0.00 -0.86 0.04 0.42 0.24 0.00 0.00 174.94 174.78 3a0k s THR 211 N -3.61 0.17 -0.10 8.37 -4.23 0.76 0.26 115.64 117.27 3a0k s THR 211 Ca 0.12 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3a0k s THR 211 Cb 0.05 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 3a0k s THR 211 CO -0.04 -0.78 -0.03 0.12 -0.54 0.00 0.00 174.62 173.34 3a0k s PHE 212 N -3.95 3.04 0.13 3.99 5.36 -0.12 -1.24 117.98 125.20 3a0k s PHE 212 Ca 0.12 -0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.01 3a0k s PHE 212 Cb 0.07 -1.82 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 3a0k s PHE 212 CO -0.07 0.26 0.17 -0.59 -1.46 0.00 0.00 175.22 173.54 3a0k s PHE 213 N -0.46 0.52 -0.03 10.12 -0.71 0.67 -0.33 117.98 127.76 3a0k s PHE 213 Ca 0.07 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.07 3a0k s PHE 213 Cb -0.12 -0.22 0.01 0.00 -1.21 0.00 0.00 43.02 41.47 3a0k s PHE 213 CO 0.02 -0.60 -0.08 0.42 -1.34 0.00 0.00 175.22 173.64 3a0k s ILE 214 N -3.97 0.74 0.19 -4.49 1.01 0.93 -0.68 121.20 114.93 3a0k s ILE 214 Ca 0.17 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3a0k s ILE 214 Cb 0.05 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.85 3a0k s ILE 214 CO -0.02 0.24 0.37 0.00 0.00 0.00 0.00 174.94 175.53 3a0k s ALA 215 N 0.28 -0.24 0.63 9.38 0.00 -0.35 -1.02 121.76 130.44 3a0k s ALA 215 Ca -0.04 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3a0k s ALA 215 Cb -0.09 0.90 -0.06 0.00 0.00 0.00 0.00 23.12 23.87 3a0k s ALA 215 CO 0.01 -0.72 0.65 0.27 0.00 0.00 0.00 175.76 175.97 3a0k n ASN 216 N -0.27 -0.59 0.08 0.00 6.94 -1.14 -0.76 115.26 119.51 3a0k n ASN 216 Ca -0.07 0.70 0.03 0.00 -0.02 0.00 0.00 54.58 55.22 3a0k n ASN 216 Cb 0.63 -1.25 0.42 0.00 -2.36 0.00 0.00 39.78 37.21 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 0.07 1.13 -0.32 5.53 1.35 -1.83 -1.13 112.91 117.71 3a0k h THR 217 Ca -0.46 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 3a0k h THR 217 Cb 1.37 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3a0k h THR 217 CO 0.46 0.17 0.02 -0.90 -0.25 0.00 0.00 175.52 175.02 3a0k n ASP 218 N -4.37 3.57 -4.68 5.36 5.75 -1.26 -4.65 116.55 116.26 3a0k n ASP 218 Ca 0.01 -2.52 -0.40 0.00 -0.01 0.00 0.00 54.79 51.87 3a0k n ASP 218 Cb 0.17 -0.61 0.03 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.31 3.11 -4.06 2.12 5.66 -0.43 -5.00 114.28 115.98 3a0k n THR 219 Ca 0.16 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.57 3a0k n THR 219 Cb 0.78 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 68.03 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 -0.81 0.23 0.06 1.09 1.04 -1.26 -5.08 113.70 108.96 3a0k s SER 220 Ca 0.67 -1.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 3a0k s SER 220 Cb -0.47 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 3a0k s SER 220 CO 0.53 -0.77 1.95 -0.38 0.98 0.00 0.00 173.24 175.55 3a0k n ILE 221 N -0.11 0.69 -1.56 -1.02 5.41 -1.26 -4.95 119.36 116.56 3a0k n ILE 221 Ca -0.08 -0.12 -0.31 0.00 1.00 0.00 0.00 62.75 63.24 3a0k n ILE 221 Cb 0.63 -2.29 0.06 0.00 -0.71 0.00 0.00 39.64 37.33 3a0k n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3a0k s PRO 222 N 4.09 2.79 0.59 0.38 0.02 -1.26 -4.95 135.00 136.65 3a0k s PRO 222 Ca 0.87 1.07 -0.19 0.00 0.02 0.00 0.00 61.00 62.78 3a0k s PRO 222 Cb -0.44 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3a0k s PRO 222 CO 0.41 -1.22 1.21 -1.12 -0.33 0.00 0.00 177.00 175.94 3a0k s SER 223 N -3.48 5.24 -1.80 2.53 0.01 -1.26 -2.22 113.70 112.71 3a0k s SER 223 Ca 0.60 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.25 3a0k s SER 223 Cb -0.16 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3a0k s SER 223 CO 0.52 -1.56 0.00 0.61 0.41 0.00 0.00 173.24 173.22 3a0k n GLY 224 N 0.50 1.69 1.32 3.44 0.00 -1.26 -4.42 105.19 106.45 3a0k n GLY 224 Ca 0.13 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.78 3.86 -4.59 1.61 3.41 -0.94 -4.71 113.62 111.49 3a0k n SER 225 Ca -0.17 -2.36 -0.30 0.00 -0.26 0.00 0.00 58.87 55.78 3a0k n SER 225 Cb 0.56 -0.51 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 3a0k n SER 225 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3a0k s SER 226 N -0.79 1.99 1.88 4.04 0.15 -1.26 0.53 113.70 120.23 3a0k s SER 226 Ca 0.40 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.98 3a0k s SER 226 Cb 0.26 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3a0k s SER 226 CO 0.19 -3.64 0.00 0.61 1.20 0.00 0.00 173.24 171.60 3a0k n GLY 227 N 0.56 3.70 0.04 9.45 0.00 -1.15 -1.68 105.19 116.11 3a0k n GLY 227 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 13.77 0.05 0.00 1.61 1.85 -1.26 -0.96 116.66 131.72 3a0k n ARG 228 Ca 0.00 0.38 0.14 0.00 -1.00 0.00 0.00 57.85 57.37 3a0k n ARG 228 Cb 0.00 -1.62 0.62 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.73 0.91 -1.42 2.89 4.77 -0.67 -4.92 117.00 116.84 3a0k n LEU 229 Ca 0.02 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.59 3a0k n LEU 229 Cb 0.13 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3a0k n LEU 229 CO 0.11 0.16 -0.13 0.18 -1.33 0.00 0.00 177.39 176.38 3a0k n LEU 230 N -0.39 -1.03 0.00 2.23 7.99 -0.14 -1.44 117.00 124.22 3a0k n LEU 230 Ca 0.19 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 3a0k n LEU 230 Cb 0.28 -2.10 0.00 0.00 -0.11 0.00 0.00 43.42 41.49 3a0k n LEU 230 CO 0.19 -0.74 0.00 0.61 -1.51 0.00 0.00 177.39 175.94 3a0k n GLY 231 N -0.27 0.64 0.03 -0.72 0.00 0.19 -4.18 105.19 100.89 3a0k n GLY 231 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 0.96 -4.18 0.99 4.32 -0.52 -4.26 117.00 114.32 3a0k n LEU 232 Ca 0.00 -0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.81 3a0k n LEU 232 Cb 0.00 0.01 -0.11 0.00 -1.62 0.00 0.00 43.42 41.70 3a0k n LEU 232 CO 0.00 0.30 -0.44 -0.36 -1.22 0.00 0.00 177.39 175.67 3a0k s PHE 233 N -2.14 1.16 -0.63 -1.77 0.08 -1.19 -4.72 117.98 108.76 3a0k s PHE 233 Ca -0.05 -0.53 0.25 0.00 0.12 0.00 0.00 56.93 56.71 3a0k s PHE 233 Cb 0.02 -0.64 0.52 0.00 -0.57 0.00 0.00 43.02 42.35 3a0k s PHE 233 CO 0.21 0.04 1.53 -1.00 -0.10 0.00 0.00 175.22 175.91 3a0k h PRO 234 N 3.97 0.00 0.00 0.24 0.13 -1.87 -3.33 132.00 131.14 3a0k h PRO 234 Ca -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 3a0k h PRO 234 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3a0k h PRO 234 CO 0.46 0.00 0.09 -0.40 -0.23 0.00 0.00 178.00 177.92 3a0k n ASP 235 N -2.33 -1.36 -1.83 1.44 5.68 -1.26 -4.69 116.55 112.20 3a0k n ASP 235 Ca 0.04 -2.17 0.08 0.00 -0.50 0.00 0.00 54.79 52.24 3a0k n ASP 235 Cb 0.45 2.33 0.40 0.00 -1.14 0.00 0.00 41.12 43.16 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 -1.36 3.70 0.16 2.12 0.00 -1.26 -4.66 120.51 119.21 3a0k n ALA 236 Ca -0.11 -1.85 0.01 0.00 0.00 0.00 0.00 53.44 51.49 3a0k n ALA 236 Cb 0.41 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.83 3a0k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59