#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p2k n ASP 2 N 0.00 0.10 -4.64 0.00 8.00 -1.26 -5.02 116.55 113.74 2p2k n ASP 2 Ca 0.00 0.49 -0.35 0.00 0.71 0.00 0.00 54.79 55.64 2p2k n ASP 2 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 39.58 2p2k n ASP 2 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p2k s THR 3 N -2.31 4.89 -0.14 -3.53 2.01 -1.26 -5.00 115.64 110.30 2p2k s THR 3 Ca 0.68 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2p2k s THR 3 Cb -0.26 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2p2k s THR 3 CO 0.56 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.15 2p2k s ILE 4 N 0.50 1.64 -0.18 1.82 -1.09 -1.26 -3.27 121.20 119.35 2p2k s ILE 4 Ca 0.04 -0.70 -0.04 0.00 -2.23 0.00 0.00 60.65 57.72 2p2k s ILE 4 Cb -0.12 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 2p2k s ILE 4 CO 0.00 0.47 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.48 2p2k s VAL 5 N 1.25 3.92 0.02 2.92 1.01 -0.67 -0.25 120.40 128.61 2p2k s VAL 5 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2p2k s VAL 5 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2p2k s VAL 5 CO -0.07 0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.56 2p2k s ALA 6 N 0.75 -0.11 -0.23 5.51 0.00 0.17 -0.19 121.76 127.65 2p2k s ALA 6 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 2p2k s ALA 6 Cb -0.14 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2p2k s ALA 6 CO 0.02 -0.24 -0.01 0.08 0.00 0.00 0.00 175.76 175.61 2p2k s VAL 7 N -1.93 3.59 -0.10 0.00 1.01 0.34 0.53 120.40 123.85 2p2k s VAL 7 Ca -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2p2k s VAL 7 Cb -0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2p2k s VAL 7 CO -0.02 0.37 0.04 -1.83 0.00 0.00 0.00 175.10 173.66 2p2k s GLU 8 N 1.50 3.14 -0.55 2.72 -1.05 0.45 -1.46 118.70 123.45 2p2k s GLU 8 Ca 0.05 -0.33 -0.09 0.00 -0.15 0.00 0.00 54.97 54.45 2p2k s GLU 8 Cb -0.15 -2.91 0.14 0.00 -0.44 0.00 0.00 34.13 30.77 2p2k s GLU 8 CO -0.01 0.71 0.42 -0.51 0.95 0.00 0.00 175.26 176.81 2p2k s LEU 9 N -0.87 5.77 -0.36 1.83 1.02 0.15 -0.26 118.68 125.96 2p2k s LEU 9 Ca 0.13 -2.20 -0.12 0.00 0.02 0.00 0.00 54.13 51.96 2p2k s LEU 9 Cb -0.12 -2.01 0.01 0.00 0.02 0.00 0.00 46.19 44.09 2p2k s LEU 9 CO 0.03 -0.62 0.23 -0.62 0.02 0.00 0.00 176.35 175.39 2p2k s ASP 10 N 2.24 5.90 0.21 2.29 -1.08 0.13 -1.28 116.67 125.08 2p2k s ASP 10 Ca 0.10 -0.72 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 2p2k s ASP 10 Cb -0.23 -2.09 0.32 0.00 -1.46 0.00 0.00 42.92 39.46 2p2k s ASP 10 CO -0.02 -0.33 1.36 0.71 0.52 0.00 0.00 175.17 177.41 2p2k h THR 11 N 5.66 0.00 -3.41 1.71 1.35 -1.65 -0.23 112.91 116.34 2p2k h THR 11 Ca -0.29 -0.71 -0.61 0.00 -0.55 0.00 0.00 66.41 64.25 2p2k h THR 11 Cb 1.13 1.40 -0.37 0.00 -1.73 0.00 0.00 68.15 68.59 2p2k h THR 11 CO 0.67 0.00 -0.81 -0.47 -0.25 0.00 0.00 175.52 174.66 2p2k s TYR 12 N -3.22 2.37 -0.29 4.73 6.14 -1.23 -4.47 117.35 121.38 2p2k s TYR 12 Ca 0.05 -1.55 -0.29 0.00 0.64 0.00 0.00 57.07 55.92 2p2k s TYR 12 Cb 0.11 -1.62 -0.00 0.00 0.42 0.00 0.00 41.96 40.86 2p2k s TYR 12 CO 0.71 -0.73 1.38 -2.14 0.64 0.00 0.00 175.55 175.41 2p2k s PRO 13 N 1.41 3.85 -1.03 4.97 0.02 -1.26 -4.90 135.00 138.06 2p2k s PRO 13 Ca -0.01 1.30 -0.05 0.00 0.02 0.00 0.00 61.00 62.26 2p2k s PRO 13 Cb -0.16 -3.93 0.27 0.00 0.02 0.00 0.00 34.50 30.70 2p2k s PRO 13 CO -0.08 -1.21 1.08 0.09 -0.33 0.00 0.00 177.00 176.55 2p2k n ASN 14 N 7.94 5.25 0.26 2.53 4.13 -1.26 -4.87 115.26 129.24 2p2k n ASN 14 Ca 0.16 -3.15 0.14 0.00 1.68 0.00 0.00 54.58 53.40 2p2k n ASN 14 Cb 0.46 -1.24 0.72 0.00 -1.54 0.00 0.00 39.78 38.18 2p2k n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2p2k h THR 15 N 3.69 0.45 0.00 3.41 1.35 -1.86 -1.40 112.91 118.55 2p2k h THR 15 Ca 0.18 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2p2k h THR 15 Cb 0.80 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2p2k h THR 15 CO 1.02 0.11 0.00 0.47 -0.25 0.00 0.00 175.52 176.88 2p2k n ASP 16 N -3.49 0.15 -1.17 5.36 10.43 -1.26 -2.08 116.55 124.49 2p2k n ASP 16 Ca -0.01 0.54 0.01 0.00 2.57 0.00 0.00 54.79 57.89 2p2k n ASP 16 Cb 0.27 -0.57 0.13 0.00 1.84 0.00 0.00 41.12 42.78 2p2k n ASP 16 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 2p2k n ILE 17 N -1.67 1.64 -0.88 0.53 -5.35 -0.61 -4.99 119.36 108.05 2p2k n ILE 17 Ca 0.03 -2.80 0.00 0.00 -0.27 0.00 0.00 62.75 59.71 2p2k n ILE 17 Cb 0.19 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 2p2k n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p2k n GLY 18 N -0.62 0.55 3.75 3.28 0.00 -0.88 -4.70 105.19 106.57 2p2k n GLY 18 Ca 0.19 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2p2k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p2k s ASP 19 N -2.06 5.38 0.85 1.61 1.01 -0.74 -4.88 116.67 117.85 2p2k s ASP 19 Ca 0.00 2.56 -0.11 0.00 0.71 0.00 0.00 52.55 55.70 2p2k s ASP 19 Cb 0.00 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.42 2p2k s ASP 19 CO 0.00 -1.47 1.09 -2.16 0.21 0.00 0.00 175.17 172.84 2p2k s PRO 20 N -3.01 1.61 -0.97 8.23 0.04 -1.26 -4.04 135.00 135.60 2p2k s PRO 20 Ca 0.72 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 2p2k s PRO 20 Cb -0.35 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2p2k s PRO 20 CO 0.40 -2.00 2.72 -1.71 0.04 0.00 0.00 177.00 176.46 2p2k n ASN 21 N -3.71 7.39 -3.54 6.66 5.15 -1.26 -4.64 115.26 121.31 2p2k n ASN 21 Ca 0.07 -3.01 -0.09 0.00 -0.60 0.00 0.00 54.58 50.95 2p2k n ASN 21 Cb 0.55 -1.36 -0.03 0.00 -0.53 0.00 0.00 39.78 38.41 2p2k n ASN 21 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2p2k s TYR 22 N -0.62 -0.34 0.44 1.20 -0.85 -1.26 -5.01 117.35 110.90 2p2k s TYR 22 Ca 0.59 0.36 -0.25 0.00 -0.52 0.00 0.00 57.07 57.25 2p2k s TYR 22 Cb 0.26 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 43.01 2p2k s TYR 22 CO -0.12 -0.44 1.31 -2.30 -1.52 0.00 0.00 175.55 172.48 2p2k n PRO 23 N 0.13 1.99 -3.70 -3.49 -0.02 -1.26 -4.60 135.00 124.05 2p2k n PRO 23 Ca -0.08 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 61.98 2p2k n PRO 23 Cb 0.60 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 2p2k n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2p2k s HIS 24 N -1.20 -0.20 0.04 6.00 -3.43 -0.10 -0.18 115.29 116.21 2p2k s HIS 24 Ca 0.62 0.10 -0.14 0.00 -0.80 0.00 0.00 55.06 54.84 2p2k s HIS 24 Cb -0.49 0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 30.78 2p2k s HIS 24 CO 0.57 -0.56 0.42 0.96 -2.00 0.00 0.00 174.74 174.14 2p2k s ILE 25 N -2.60 5.02 0.03 -5.38 -4.36 -0.30 0.19 121.20 113.80 2p2k s ILE 25 Ca -0.05 0.75 0.01 0.00 -0.26 0.00 0.00 60.65 61.11 2p2k s ILE 25 Cb -0.01 -3.70 -0.02 0.00 1.25 0.00 0.00 42.46 39.98 2p2k s ILE 25 CO -0.03 0.47 -0.05 -0.83 0.24 0.00 0.00 174.94 174.73 2p2k s GLY 26 N -1.32 0.36 -0.28 6.27 0.00 0.64 -0.86 107.32 112.13 2p2k s GLY 26 Ca 0.28 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 2p2k s GLY 26 CO 0.15 -0.64 0.21 -0.42 0.00 0.00 0.00 173.10 172.41 2p2k s ILE 27 N -1.16 5.30 -0.23 0.90 1.01 0.66 -0.41 121.20 127.26 2p2k s ILE 27 Ca -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 2p2k s ILE 27 Cb -0.08 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2p2k s ILE 27 CO -0.00 0.23 -0.02 -1.81 0.00 0.00 0.00 174.94 173.34 2p2k s ASP 28 N 1.75 4.44 -0.36 3.58 1.01 0.19 0.26 116.67 127.54 2p2k s ASP 28 Ca 0.08 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.86 2p2k s ASP 28 Cb -0.16 -1.75 0.10 0.00 1.01 0.00 0.00 42.92 42.11 2p2k s ASP 28 CO 0.11 -0.06 0.10 -0.63 0.21 0.00 0.00 175.17 174.90 2p2k s ILE 29 N 1.47 2.72 -1.95 0.77 -1.09 -1.26 0.46 121.20 122.32 2p2k s ILE 29 Ca 0.05 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.36 2p2k s ILE 29 Cb -0.15 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 2p2k s ILE 29 CO -0.02 -0.56 0.00 0.29 -1.23 0.00 0.00 174.94 173.42 2p2k n LYS 30 N 4.43 -1.42 -3.62 2.79 5.02 0.66 -4.90 118.16 121.11 2p2k n LYS 30 Ca -0.01 1.14 -0.15 0.00 -2.02 0.00 0.00 58.31 57.27 2p2k n LYS 30 Cb 0.42 -5.49 -0.07 0.00 -0.02 0.00 0.00 35.03 29.86 2p2k n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2p2k s SER 31 N -2.73 -0.56 0.55 4.39 0.15 -1.26 -4.95 113.70 109.29 2p2k s SER 31 Ca 0.00 0.79 0.35 0.00 0.70 0.00 0.00 55.95 57.78 2p2k s SER 31 Cb 0.00 0.76 1.55 0.00 -1.71 0.00 0.00 66.02 66.62 2p2k s SER 31 CO 0.00 -0.43 2.04 1.62 1.20 0.00 0.00 173.24 177.67 2p2k h VAL 32 N 3.62 0.00 -3.15 4.45 3.04 -1.84 -3.40 116.25 118.97 2p2k h VAL 32 Ca -0.28 -0.38 -0.62 0.00 -1.01 0.00 0.00 66.70 64.42 2p2k h VAL 32 Cb 1.16 1.35 -0.13 0.00 -2.01 0.00 0.00 31.29 31.66 2p2k h VAL 32 CO 0.29 0.00 0.54 -0.13 -1.01 0.00 0.00 177.57 177.26 2p2k s ARG 33 N -3.73 3.30 0.39 4.17 0.52 -1.26 -4.95 118.95 117.39 2p2k s ARG 33 Ca 0.00 -0.35 -0.27 0.00 -0.52 0.00 0.00 55.73 54.59 2p2k s ARG 33 Cb 0.10 -4.07 -0.11 0.00 0.52 0.00 0.00 34.95 31.39 2p2k s ARG 33 CO 0.50 -1.50 1.41 0.43 0.02 0.00 0.00 175.30 176.16 2p2k n SER 34 N 7.42 3.34 0.20 0.23 7.64 -1.26 -4.80 113.62 126.38 2p2k n SER 34 Ca 0.01 1.19 0.04 0.00 1.01 0.00 0.00 58.87 61.11 2p2k n SER 34 Cb 0.47 -1.58 0.41 0.00 -1.01 0.00 0.00 64.21 62.50 2p2k n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2p2k h LYS 35 N 2.62 0.00 -3.21 1.43 1.79 -0.52 -3.44 116.57 115.24 2p2k h LYS 35 Ca -0.49 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.83 2p2k h LYS 35 Cb 1.26 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.68 2p2k h LYS 35 CO 0.62 0.33 -0.41 0.21 -1.08 0.00 0.00 179.45 179.13 2p2k s LYS 36 N -4.17 0.43 0.09 3.15 2.47 -1.23 -5.01 119.74 115.47 2p2k s LYS 36 Ca -0.03 0.02 0.02 0.00 -1.56 0.00 0.00 55.97 54.42 2p2k s LYS 36 Cb 0.14 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.66 2p2k s LYS 36 CO 0.70 -0.09 -0.07 0.95 0.16 0.00 0.00 175.35 177.01 2p2k s THR 37 N -0.61 0.65 0.03 3.43 -4.23 -1.26 -0.25 115.64 113.39 2p2k s THR 37 Ca -0.07 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2p2k s THR 37 Cb -0.04 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 2p2k s THR 37 CO 0.02 -0.78 -0.12 0.00 -0.54 0.00 0.00 174.62 173.20 2p2k s ALA 38 N -3.18 0.99 0.22 3.99 0.00 -0.04 -4.98 121.76 118.76 2p2k s ALA 38 Ca 0.07 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 2p2k s ALA 38 Cb 0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.88 2p2k s ALA 38 CO -0.04 0.18 1.61 0.21 0.00 0.00 0.00 175.76 177.72 2p2k s LYS 39 N -0.96 4.17 -0.15 0.00 2.20 -1.26 -1.14 119.74 122.60 2p2k s LYS 39 Ca 0.01 2.49 0.01 0.00 -0.36 0.00 0.00 55.97 58.12 2p2k s LYS 39 Cb -0.07 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2p2k s LYS 39 CO 0.01 -0.64 -0.18 -0.46 -0.36 0.00 0.00 175.35 173.72 2p2k s TRP 40 N 0.73 2.46 -1.07 4.03 -0.00 0.74 -4.74 118.94 121.09 2p2k s TRP 40 Ca 0.69 -1.35 -0.19 0.00 -0.00 0.00 0.00 56.10 55.24 2p2k s TRP 40 Cb -0.46 -1.73 0.10 0.00 -0.00 0.00 0.00 33.47 31.37 2p2k s TRP 40 CO 0.37 -0.68 1.39 1.21 -0.00 0.00 0.00 176.95 179.25 2p2k s ASN 41 N 1.20 6.68 0.07 5.86 3.04 -1.26 -4.35 114.94 126.19 2p2k s ASN 41 Ca 0.01 -2.04 -0.31 0.00 0.04 0.00 0.00 52.86 50.56 2p2k s ASN 41 Cb -0.14 -2.49 -0.08 0.00 -1.54 0.00 0.00 41.25 37.00 2p2k s ASN 41 CO -0.08 -1.20 1.63 -0.32 -3.04 0.00 0.00 177.10 174.09 2p2k s MET 42 N 3.62 4.21 -0.47 0.43 -2.45 -1.26 -4.96 119.30 118.41 2p2k s MET 42 Ca 0.43 2.30 -0.12 0.00 -1.25 0.00 0.00 55.69 57.05 2p2k s MET 42 Cb -0.01 -3.57 0.10 0.00 1.25 0.00 0.00 34.83 32.60 2p2k s MET 42 CO -0.05 -0.71 0.36 -0.65 1.05 0.00 0.00 175.02 175.02 2p2k s GLN 43 N 2.53 2.69 0.23 4.11 -0.21 -1.26 -5.04 119.66 122.71 2p2k s GLN 43 Ca 0.73 -1.61 -0.32 0.00 0.02 0.00 0.00 55.36 54.18 2p2k s GLN 43 Cb -0.39 -4.00 -0.12 0.00 1.00 0.00 0.00 33.01 29.50 2p2k s GLN 43 CO 0.32 -1.14 1.67 -1.71 -2.12 0.00 0.00 175.29 172.31 2p2k n ASN 44 N 5.03 3.86 0.00 5.90 2.85 -1.26 -1.76 115.26 129.87 2p2k n ASN 44 Ca -0.10 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.46 2p2k n ASN 44 Cb 0.42 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.87 2p2k n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2p2k n GLY 45 N 3.35 0.51 3.91 8.20 0.00 0.74 -4.97 105.19 116.93 2p2k n GLY 45 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2p2k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p2k s LYS 46 N -0.47 3.34 -0.38 1.61 -0.14 -0.72 -4.94 119.74 118.04 2p2k s LYS 46 Ca 0.00 -0.61 -0.25 0.00 -1.36 0.00 0.00 55.97 53.75 2p2k s LYS 46 Cb 0.00 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.24 2p2k s LYS 46 CO 0.00 0.53 0.89 0.08 -0.76 0.00 0.00 175.35 176.09 2p2k s VAL 47 N -1.69 4.61 0.31 3.17 1.01 -1.26 -4.16 120.40 122.39 2p2k s VAL 47 Ca 0.34 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2p2k s VAL 47 Cb -0.11 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2p2k s VAL 47 CO 0.27 -0.54 0.50 -0.83 0.00 0.00 0.00 175.10 174.50 2p2k s GLY 48 N 1.90 1.39 -0.08 4.51 0.00 -0.27 -4.14 107.32 110.63 2p2k s GLY 48 Ca 0.36 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.17 2p2k s GLY 48 CO 0.19 -0.89 -0.17 -1.59 0.00 0.00 0.00 173.10 170.63 2p2k s THR 49 N -2.19 1.52 -0.14 0.90 2.01 0.11 -1.36 115.64 116.48 2p2k s THR 49 Ca 0.39 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 2p2k s THR 49 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 2p2k s THR 49 CO 0.34 0.44 -0.05 0.00 -0.69 0.00 0.00 174.62 174.66 2p2k s ALA 50 N 0.49 2.98 -0.08 7.40 0.00 0.55 0.15 121.76 133.25 2p2k s ALA 50 Ca -0.16 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2p2k s ALA 50 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2p2k s ALA 50 CO 0.06 0.26 -0.21 -1.01 0.00 0.00 0.00 175.76 174.85 2p2k s HIS 51 N 0.23 2.57 -0.03 0.00 3.76 0.64 -1.47 115.29 120.99 2p2k s HIS 51 Ca -0.03 -0.70 0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2p2k s HIS 51 Cb -0.14 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 31.88 2p2k s HIS 51 CO 0.03 -0.20 -0.10 0.42 -0.85 0.00 0.00 174.74 174.03 2p2k s ILE 52 N -0.04 0.89 -0.01 0.60 1.09 0.14 -0.49 121.20 123.37 2p2k s ILE 52 Ca -0.06 -0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 59.08 2p2k s ILE 52 Cb -0.15 -0.79 0.02 0.00 -1.06 0.00 0.00 42.46 40.48 2p2k s ILE 52 CO 0.05 0.28 0.02 -0.63 -0.10 0.00 0.00 174.94 174.56 2p2k s ILE 53 N 0.24 -0.04 -0.07 2.92 1.01 0.27 -0.63 121.20 124.90 2p2k s ILE 53 Ca -0.05 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2p2k s ILE 53 Cb -0.10 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.34 2p2k s ILE 53 CO 0.01 0.06 0.27 -0.47 0.00 0.00 0.00 174.94 174.82 2p2k s TYR 54 N 0.75 -0.24 0.05 3.97 5.04 -0.33 -0.50 117.35 126.08 2p2k s TYR 54 Ca -0.06 0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 55.11 2p2k s TYR 54 Cb -0.09 0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.27 2p2k s TYR 54 CO -0.02 -0.22 -0.02 0.54 -1.34 0.00 0.00 175.55 174.49 2p2k s ASN 55 N -0.34 0.42 0.00 4.32 2.20 -1.26 -0.55 114.94 119.73 2p2k s ASN 55 Ca -0.05 -0.88 0.18 0.00 -0.94 0.00 0.00 52.86 51.18 2p2k s ASN 55 Cb -0.03 0.19 1.09 0.00 -2.00 0.00 0.00 41.25 40.49 2p2k s ASN 55 CO 0.01 -0.54 1.59 -1.54 -2.94 0.00 0.00 177.10 173.68 2p2k n SER 56 N 0.41 0.00 -0.08 3.54 3.41 0.22 -0.13 113.62 120.99 2p2k n SER 56 Ca -0.16 -1.08 -0.07 0.00 -0.26 0.00 0.00 58.87 57.29 2p2k n SER 56 Cb 0.60 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 2p2k n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2p2k n VAL 57 N -0.84 1.44 0.17 -3.33 0.31 -1.26 -4.38 118.33 110.44 2p2k n VAL 57 Ca 0.14 0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.69 2p2k n VAL 57 Cb 0.06 -2.35 0.27 0.00 -0.91 0.00 0.00 33.84 30.91 2p2k n VAL 57 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2p2k h GLY 58 N -1.00 0.00 -6.62 2.92 0.00 -1.98 -3.47 103.07 92.92 2p2k h GLY 58 Ca -0.04 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.76 2p2k h GLY 58 CO -0.03 0.00 -0.84 0.28 0.00 0.00 0.00 176.54 175.95 2p2k n LYS 59 N -3.51 -3.45 -4.08 4.80 5.02 0.82 -4.91 118.16 112.85 2p2k n LYS 59 Ca -0.00 0.40 -0.32 0.00 -2.02 0.00 0.00 58.31 56.37 2p2k n LYS 59 Cb 0.56 -4.94 -0.15 0.00 -0.02 0.00 0.00 35.03 30.47 2p2k n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2p2k s ARG 60 N -6.78 2.39 -0.38 1.97 3.52 -1.26 -0.88 118.95 117.52 2p2k s ARG 60 Ca 0.49 -1.21 -0.27 0.00 -0.13 0.00 0.00 55.73 54.61 2p2k s ARG 60 Cb -0.26 -2.80 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2p2k s ARG 60 CO 0.91 -0.49 0.98 -1.17 -0.81 0.00 0.00 175.30 174.72 2p2k s LEU 61 N 1.16 3.93 0.08 -0.88 2.96 -0.34 -4.27 118.68 121.31 2p2k s LEU 61 Ca -0.06 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 2p2k s LEU 61 Cb -0.18 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 2p2k s LEU 61 CO -0.07 -0.93 -0.23 -0.44 -1.32 0.00 0.00 176.35 173.36 2p2k s SER 62 N 1.95 2.75 -0.04 3.68 0.01 0.34 -0.33 113.70 122.07 2p2k s SER 62 Ca 0.41 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2p2k s SER 62 Cb -0.11 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.93 2p2k s SER 62 CO 0.21 0.15 0.20 0.00 0.41 0.00 0.00 173.24 174.20 2p2k s ALA 63 N -0.95 -0.48 -0.02 1.44 0.00 0.54 -0.56 121.76 121.73 2p2k s ALA 63 Ca 0.09 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.38 2p2k s ALA 63 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2p2k s ALA 63 CO 0.03 -0.16 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 2p2k s VAL 64 N -0.65 1.24 -0.12 0.00 1.01 0.35 -0.31 120.40 121.93 2p2k s VAL 64 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2p2k s VAL 64 Cb -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2p2k s VAL 64 CO 0.01 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 2p2k s VAL 65 N -0.31 2.73 0.14 2.92 1.01 0.39 -0.26 120.40 127.02 2p2k s VAL 65 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2p2k s VAL 65 Cb -0.07 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2p2k s VAL 65 CO -0.00 0.54 0.01 -0.94 0.00 0.00 0.00 175.10 174.71 2p2k s SER 66 N 0.33 0.84 0.18 3.32 1.04 0.12 -0.83 113.70 118.71 2p2k s SER 66 Ca -0.13 -1.16 0.07 0.00 0.48 0.00 0.00 55.95 55.21 2p2k s SER 66 Cb -0.16 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2p2k s SER 66 CO 0.07 -0.62 -0.13 -0.31 0.98 0.00 0.00 173.24 173.23 2p2k s TYR 67 N -3.81 1.57 0.61 5.02 2.02 -0.86 0.08 117.35 121.98 2p2k s TYR 67 Ca 0.22 -0.63 0.34 0.00 -0.37 0.00 0.00 57.07 56.63 2p2k s TYR 67 Cb 0.07 -0.75 1.96 0.00 -0.40 0.00 0.00 41.96 42.83 2p2k s TYR 67 CO 0.02 0.27 2.25 -1.35 -1.57 0.00 0.00 175.55 175.17 2p2k h PRO 68 N 2.66 0.00 0.00 -1.71 0.11 -1.90 0.23 132.00 131.39 2p2k h PRO 68 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2p2k h PRO 68 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2p2k h PRO 68 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 2p2k n ASN 69 N -3.60 0.00 0.00 -2.05 6.94 -1.26 -4.86 115.26 110.43 2p2k n ASN 69 Ca -0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 2p2k n ASN 69 Cb 0.13 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2p2k n ASN 69 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p2k n GLY 70 N 0.44 0.67 3.73 4.83 0.00 0.81 -5.04 105.19 110.64 2p2k n GLY 70 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2p2k n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p2k s ASP 71 N -2.92 6.52 0.06 1.61 -0.00 -1.26 -4.87 116.67 115.81 2p2k s ASP 71 Ca 0.00 2.74 -0.08 0.00 -0.00 0.00 0.00 52.55 55.22 2p2k s ASP 71 Cb 0.00 -2.61 -0.00 0.00 -0.00 0.00 0.00 42.92 40.31 2p2k s ASP 71 CO 0.00 -0.84 0.16 -0.94 -0.00 0.00 0.00 175.17 173.54 2p2k s SER 72 N 0.84 0.13 -0.02 0.27 1.04 -1.26 -2.03 113.70 112.67 2p2k s SER 72 Ca 0.67 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.61 2p2k s SER 72 Cb -0.45 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2p2k s SER 72 CO 0.37 -0.61 -0.18 0.00 0.98 0.00 0.00 173.24 173.80 2p2k s ALA 73 N -3.14 1.52 0.06 5.32 0.00 -0.01 -4.97 121.76 120.54 2p2k s ALA 73 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2p2k s ALA 73 Cb 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2p2k s ALA 73 CO -0.07 0.35 -0.16 0.95 0.00 0.00 0.00 175.76 176.82 2p2k s THR 74 N -0.32 1.31 0.00 0.00 -4.23 -1.26 -0.46 115.64 110.68 2p2k s THR 74 Ca 0.04 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2p2k s THR 74 Cb -0.08 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.56 2p2k s THR 74 CO -0.00 -0.03 0.00 0.54 -0.54 0.00 0.00 174.62 174.59 2p2k s VAL 75 N -1.00 0.03 -0.00 2.29 0.11 0.58 -4.57 120.40 117.84 2p2k s VAL 75 Ca 0.03 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2p2k s VAL 75 Cb -0.09 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2p2k s VAL 75 CO 0.02 -0.14 0.08 -0.44 -3.33 0.00 0.00 175.10 171.29 2p2k s SER 76 N -0.42 0.05 -0.12 3.54 0.01 -1.26 -0.34 113.70 115.17 2p2k s SER 76 Ca -0.05 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.00 2p2k s SER 76 Cb -0.03 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.43 2p2k s SER 76 CO -0.00 -0.26 0.24 -0.47 0.41 0.00 0.00 173.24 173.17 2p2k s TYR 77 N -1.00 -0.37 0.00 2.43 5.04 0.55 -4.91 117.35 119.10 2p2k s TYR 77 Ca -0.11 0.87 -0.30 0.00 -2.44 0.00 0.00 57.07 55.09 2p2k s TYR 77 Cb -0.06 -0.04 -0.06 0.00 0.35 0.00 0.00 41.96 42.15 2p2k s TYR 77 CO 0.00 -0.31 1.53 -0.51 -1.34 0.00 0.00 175.55 174.92 2p2k s ASP 78 N 2.05 6.74 -0.23 4.32 1.11 -1.26 -1.20 116.67 128.20 2p2k s ASP 78 Ca -0.02 2.23 -0.16 0.00 0.18 0.00 0.00 52.55 54.79 2p2k s ASP 78 Cb -0.12 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.39 2p2k s ASP 78 CO -0.08 -0.82 0.58 0.54 1.18 0.00 0.00 175.17 176.57 2p2k s VAL 79 N 2.87 -0.01 -0.86 -1.27 0.11 -0.06 -4.95 120.40 116.23 2p2k s VAL 79 Ca 0.69 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.56 2p2k s VAL 79 Cb -0.34 -0.83 0.11 0.00 -1.53 0.00 0.00 36.38 33.79 2p2k s VAL 79 CO 0.28 0.01 1.09 -0.62 -3.33 0.00 0.00 175.10 172.53 2p2k s ASP 80 N 1.09 6.51 0.63 3.54 -1.08 -1.26 -4.53 116.67 121.58 2p2k s ASP 80 Ca -0.06 -1.78 0.39 0.00 -0.52 0.00 0.00 52.55 50.58 2p2k s ASP 80 Cb -0.06 -2.40 2.17 0.00 -1.46 0.00 0.00 42.92 41.17 2p2k s ASP 80 CO -0.11 -1.16 2.31 -0.07 0.52 0.00 0.00 175.17 176.67 2p2k h LEU 81 N 10.66 0.00 -1.81 -1.34 4.07 -1.96 -0.35 115.31 124.58 2p2k h LEU 81 Ca 0.05 0.00 0.25 0.00 0.08 0.00 0.00 57.88 58.26 2p2k h LEU 81 Cb 1.04 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.73 2p2k h LEU 81 CO 1.13 0.01 0.65 0.44 -1.08 0.00 0.00 178.44 179.59 2p2k h ASP 82 N 0.00 0.15 -0.02 -0.43 5.19 -1.89 0.98 116.42 120.39 2p2k h ASP 82 Ca -0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2p2k h ASP 82 Cb 0.05 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2p2k h ASP 82 CO 0.00 0.05 -0.27 0.59 -3.12 0.00 0.00 179.24 176.49 2p2k n ASN 83 N -4.36 2.45 -0.05 6.45 3.02 -0.14 -4.51 115.26 118.11 2p2k n ASN 83 Ca 0.20 -1.73 -0.11 0.00 -0.03 0.00 0.00 54.58 52.91 2p2k n ASN 83 Cb 0.90 0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 40.30 2p2k n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2p2k n VAL 84 N 0.58 0.78 -3.47 2.41 0.31 -0.28 -5.06 118.33 113.60 2p2k n VAL 84 Ca 0.11 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 2p2k n VAL 84 Cb 0.53 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 2p2k n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2p2k s LEU 85 N -6.78 4.20 0.90 7.52 1.43 0.18 -4.96 118.68 121.17 2p2k s LEU 85 Ca -0.16 0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 2p2k s LEU 85 Cb 0.06 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.83 2p2k s LEU 85 CO 0.20 -0.04 1.13 -2.16 0.23 0.00 0.00 176.35 175.71 2p2k s PRO 86 N -2.73 1.16 0.22 1.29 0.04 -1.26 -4.81 135.00 128.91 2p2k s PRO 86 Ca 0.45 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 2p2k s PRO 86 Cb -0.12 -1.75 0.22 0.00 0.04 0.00 0.00 34.50 32.89 2p2k s PRO 86 CO 0.22 -2.48 1.86 1.49 0.04 0.00 0.00 177.00 178.13 2p2k h GLU 87 N -1.76 0.94 -6.07 4.56 4.81 -1.94 -3.41 114.58 111.72 2p2k h GLU 87 Ca -0.45 -0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 2p2k h GLU 87 Cb 1.27 -0.21 -0.16 0.00 0.63 0.00 0.00 28.75 30.28 2p2k h GLU 87 CO 0.45 0.62 -0.65 -1.58 -0.73 0.00 0.00 179.01 177.12 2p2k s TRP 88 N -6.11 3.08 0.23 0.92 0.52 -1.26 -0.21 118.94 116.10 2p2k s TRP 88 Ca -0.13 0.12 -0.03 0.00 0.02 0.00 0.00 56.10 56.08 2p2k s TRP 88 Cb 0.16 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 2p2k s TRP 88 CO 0.78 0.43 0.23 0.14 0.02 0.00 0.00 176.95 178.55 2p2k s VAL 89 N -0.92 0.00 0.19 4.03 -7.23 0.14 -4.20 120.40 112.42 2p2k s VAL 89 Ca 0.15 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 58.54 2p2k s VAL 89 Cb -0.11 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2p2k s VAL 89 CO 0.04 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.62 2p2k s ARG 90 N -4.03 2.09 0.08 4.82 0.52 -0.16 0.68 118.95 122.95 2p2k s ARG 90 Ca 0.35 -1.29 0.10 0.00 -0.52 0.00 0.00 55.73 54.37 2p2k s ARG 90 Cb 0.05 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 2p2k s ARG 90 CO 0.13 0.42 -0.25 0.14 0.02 0.00 0.00 175.30 175.76 2p2k s VAL 91 N -1.80 2.29 0.30 3.52 -7.23 -1.26 0.14 120.40 116.36 2p2k s VAL 91 Ca 0.26 -1.50 -0.19 0.00 -1.81 0.00 0.00 61.98 58.73 2p2k s VAL 91 Cb -0.08 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.96 2p2k s VAL 91 CO 0.16 0.25 0.87 -0.83 -0.31 0.00 0.00 175.10 175.24 2p2k s GLY 92 N -1.60 0.19 0.01 2.32 0.00 0.53 -0.92 107.32 107.86 2p2k s GLY 92 Ca 0.13 -0.51 0.06 0.00 0.00 0.00 0.00 44.72 44.41 2p2k s GLY 92 CO 0.04 0.50 -0.18 1.08 0.00 0.00 0.00 173.10 174.54 2p2k s LEU 93 N -3.13 2.10 0.04 0.66 1.43 0.12 -0.24 118.68 119.66 2p2k s LEU 93 Ca 0.16 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2p2k s LEU 93 Cb -0.04 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 2p2k s LEU 93 CO 0.08 0.17 -0.06 -0.55 0.23 0.00 0.00 176.35 176.22 2p2k s SER 94 N -0.80 0.69 0.13 2.29 0.15 0.14 -0.59 113.70 115.71 2p2k s SER 94 Ca 0.06 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 55.99 2p2k s SER 94 Cb -0.08 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2p2k s SER 94 CO 0.00 -0.25 0.42 0.00 1.20 0.00 0.00 173.24 174.61 2p2k s ALA 95 N -1.54 -0.92 0.14 5.45 0.00 -0.40 0.72 121.76 125.22 2p2k s ALA 95 Ca -0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2p2k s ALA 95 Cb -0.09 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.76 2p2k s ALA 95 CO -0.00 -0.66 0.33 -1.54 0.00 0.00 0.00 175.76 173.88 2p2k s SER 96 N -2.82 -0.04 0.14 0.00 1.04 -1.06 -1.62 113.70 109.35 2p2k s SER 96 Ca 0.04 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2p2k s SER 96 Cb 0.02 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2p2k s SER 96 CO -0.11 -0.87 0.01 0.42 0.98 0.00 0.00 173.24 173.67 2p2k s THR 97 N -3.89 0.47 0.00 2.02 -4.23 0.48 0.22 115.64 110.71 2p2k s THR 97 Ca 0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2p2k s THR 97 Cb 0.03 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2p2k s THR 97 CO -0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 2p2k n GLY 98 N -0.15 4.29 0.24 3.99 0.00 -1.26 -0.71 105.19 111.59 2p2k n GLY 98 Ca -0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 2p2k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2p2k h LEU 99 N 0.00 0.66-10.33 0.99 6.46 -1.98 0.78 115.31 111.89 2p2k h LEU 99 Ca 0.00 -0.02 -0.45 0.00 -0.12 0.00 0.00 57.88 57.30 2p2k h LEU 99 Cb 0.00 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2p2k h LEU 99 CO 0.00 0.48 -0.27 -0.31 -0.62 0.00 0.00 178.44 177.72 2p2k s TYR 100 N -6.15 3.15 0.17 1.25 2.02 -1.26 -4.84 117.35 111.69 2p2k s TYR 100 Ca -0.13 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 2p2k s TYR 100 Cb 0.13 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2p2k s TYR 100 CO 0.75 -0.12 0.37 -1.59 -1.57 0.00 0.00 175.55 173.39 2p2k s LYS 101 N -4.29 1.22 0.02 -0.62 0.00 -1.21 -4.30 119.74 110.56 2p2k s LYS 101 Ca 0.46 -1.05 -0.27 0.00 0.00 0.00 0.00 55.97 55.11 2p2k s LYS 101 Cb -0.10 0.43 0.09 0.00 0.00 0.00 0.00 37.83 38.25 2p2k s LYS 101 CO 0.33 -0.47 0.77 -1.83 0.00 0.00 0.00 175.35 174.15 2p2k s GLU 102 N -3.93 0.98 0.39 1.78 -1.05 -0.94 -3.21 118.70 112.73 2p2k s GLU 102 Ca 0.14 -0.20 -0.26 0.00 -0.15 0.00 0.00 54.97 54.50 2p2k s GLU 102 Cb 0.02 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.08 2p2k s GLU 102 CO -0.02 -0.40 1.21 0.95 0.95 0.00 0.00 175.26 177.95 2p2k s THR 103 N -2.73 3.01 -0.64 1.83 -4.23 0.10 -4.72 115.64 108.26 2p2k s THR 103 Ca 0.00 0.88 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2p2k s THR 103 Cb -0.01 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.58 2p2k s THR 103 CO -0.06 0.11 0.76 0.59 -0.54 0.00 0.00 174.62 175.48 2p2k n ASN 104 N 0.19 3.82 -4.65 3.99 3.02 -1.26 -3.72 115.26 116.66 2p2k n ASN 104 Ca 0.04 -3.46 -0.39 0.00 -0.03 0.00 0.00 54.58 50.74 2p2k n ASN 104 Cb 0.45 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.88 2p2k n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2p2k s THR 105 N -2.58 5.15 -0.26 3.41 2.01 -0.93 -2.13 115.64 120.31 2p2k s THR 105 Ca 0.40 0.78 -0.13 0.00 0.31 0.00 0.00 61.69 63.05 2p2k s THR 105 Cb 0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2p2k s THR 105 CO -0.02 0.19 0.30 -0.63 -0.69 0.00 0.00 174.62 173.77 2p2k s ILE 106 N 1.67 5.24 -0.12 1.82 -1.09 0.19 0.56 121.20 129.48 2p2k s ILE 106 Ca 0.20 0.43 0.16 0.00 -2.23 0.00 0.00 60.65 59.21 2p2k s ILE 106 Cb -0.15 -3.63 -0.23 0.00 -1.58 0.00 0.00 42.46 36.87 2p2k s ILE 106 CO 0.09 0.23 0.45 0.18 -1.23 0.00 0.00 174.94 174.65 2p2k n LEU 107 N 4.93 0.47 -3.63 2.97 4.32 -0.07 -1.03 117.00 124.97 2p2k n LEU 107 Ca -0.11 0.22 -0.11 0.00 -0.02 0.00 0.00 56.01 55.99 2p2k n LEU 107 Cb 0.51 0.27 -0.05 0.00 -1.62 0.00 0.00 43.42 42.54 2p2k n LEU 107 CO 0.36 0.36 0.17 -0.94 -1.22 0.00 0.00 177.39 176.12 2p2k s SER 108 N -5.69 -0.25 -0.26 -1.43 1.04 -1.22 -4.45 113.70 101.43 2p2k s SER 108 Ca -0.07 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 2p2k s SER 108 Cb 0.08 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2p2k s SER 108 CO 0.83 -0.84 0.61 0.86 0.98 0.00 0.00 173.24 175.68 2p2k s TRP 109 N -3.67 -1.05 0.23 5.02 -0.00 0.25 -1.68 118.94 118.03 2p2k s TRP 109 Ca 0.02 2.01 0.05 0.00 -0.00 0.00 0.00 56.10 58.18 2p2k s TRP 109 Cb 0.02 0.60 -0.05 0.00 -0.00 0.00 0.00 33.47 34.03 2p2k s TRP 109 CO -0.11 -0.54 -0.06 -1.54 -0.00 0.00 0.00 176.95 174.70 2p2k s SER 110 N 2.04 2.25 -0.22 5.86 1.04 0.25 -0.04 113.70 124.87 2p2k s SER 110 Ca -0.08 -1.14 -0.23 0.00 0.48 0.00 0.00 55.95 54.98 2p2k s SER 110 Cb -0.08 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.03 2p2k s SER 110 CO -0.18 -0.36 0.64 0.12 0.98 0.00 0.00 173.24 174.43 2p2k s PHE 111 N -3.19 -0.69 -0.02 5.02 5.36 -0.05 -1.02 117.98 123.39 2p2k s PHE 111 Ca 0.26 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 2p2k s PHE 111 Cb 0.03 0.25 0.03 0.00 -0.34 0.00 0.00 43.02 42.99 2p2k s PHE 111 CO 0.08 -0.36 0.03 0.99 -1.46 0.00 0.00 175.22 174.49 2p2k s THR 112 N 0.18 -0.04 0.02 0.12 2.01 0.02 -0.42 115.64 117.54 2p2k s THR 112 Ca -0.01 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2p2k s THR 112 Cb -0.04 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 2p2k s THR 112 CO 0.02 0.09 -0.23 -0.94 -0.69 0.00 0.00 174.62 172.87 2p2k s SER 113 N 1.02 2.71 0.02 3.53 1.04 0.34 -0.50 113.70 121.86 2p2k s SER 113 Ca -0.09 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2p2k s SER 113 Cb -0.12 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 2p2k s SER 113 CO -0.03 0.23 -0.08 -0.54 0.98 0.00 0.00 173.24 173.81 2p2k s LYS 114 N -0.93 0.57 -0.19 4.02 1.02 0.07 -0.33 119.74 123.97 2p2k s LYS 114 Ca 0.09 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2p2k s LYS 114 Cb -0.09 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.76 2p2k s LYS 114 CO 0.01 0.12 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.92 2p2k s LEU 115 N -0.72 2.29 -0.26 3.17 1.43 0.10 -0.71 118.68 123.98 2p2k s LEU 115 Ca -0.01 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.19 2p2k s LEU 115 Cb -0.05 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 2p2k s LEU 115 CO 0.00 -0.10 0.07 -0.54 0.23 0.00 0.00 176.35 176.01 2p2k s LYS 116 N 1.35 3.46 0.00 1.70 1.02 0.60 -0.28 119.74 127.59 2p2k s LYS 116 Ca 0.00 -0.61 -0.00 0.00 0.02 0.00 0.00 55.97 55.39 2p2k s LYS 116 Cb -0.15 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2p2k s LYS 116 CO -0.09 -0.27 0.01 0.45 -0.92 0.00 0.00 175.35 174.52 2p2k n SER 117 N 4.91 -0.01 -0.37 2.83 2.88 -1.26 0.81 113.62 123.40 2p2k n SER 117 Ca -0.16 -1.01 0.04 0.00 -1.33 0.00 0.00 58.87 56.41 2p2k n SER 117 Cb 0.50 0.02 0.09 0.00 -0.75 0.00 0.00 64.21 64.08 2p2k n SER 117 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2p2k n ASN 118 N -0.37 2.57 0.00 -3.46 3.02 -1.26 -4.70 115.26 111.05 2p2k n ASN 118 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2p2k n ASN 118 Cb 0.01 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2p2k n ASN 118 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2p2k n GLU 122 N 0.01 0.00 -4.85 3.52 0.00 -1.26 -5.20 120.64 112.85 2p2k n GLU 122 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.91 2p2k n GLU 122 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.68 2p2k n GLU 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2p2k s THR 123 N 2.75 3.05 -0.10 6.31 2.01 -1.26 -4.34 115.64 124.06 2p2k s THR 123 Ca 0.00 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 2p2k s THR 123 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2p2k s THR 123 CO 0.00 0.56 0.04 0.20 -0.69 0.00 0.00 174.62 174.74 2p2k s ASN 124 N -0.26 5.58 0.01 3.53 -0.87 0.61 -4.97 114.94 118.57 2p2k s ASN 124 Ca 0.02 0.23 -0.10 0.00 -1.57 0.00 0.00 52.86 51.43 2p2k s ASN 124 Cb -0.13 -1.68 0.01 0.00 -0.02 0.00 0.00 41.25 39.43 2p2k s ASN 124 CO 0.03 0.37 0.19 0.00 -2.57 0.00 0.00 177.10 175.12 2p2k s ALA 125 N -0.81 -0.43 -0.01 0.60 0.00 -1.26 0.00 121.76 119.85 2p2k s ALA 125 Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2p2k s ALA 125 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2p2k s ALA 125 CO 0.03 -0.28 -0.05 -1.17 0.00 0.00 0.00 175.76 174.29 2p2k s LEU 126 N -1.63 1.89 -0.01 0.00 2.96 0.55 -4.98 118.68 117.45 2p2k s LEU 126 Ca -0.11 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2p2k s LEU 126 Cb -0.05 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.34 2p2k s LEU 126 CO 0.00 0.05 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.80 2p2k s HIS 127 N 0.04 0.15 0.05 5.38 5.65 -1.26 -0.50 115.29 124.80 2p2k s HIS 127 Ca -0.00 0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.34 2p2k s HIS 127 Cb -0.04 -0.20 -0.03 0.00 -1.18 0.00 0.00 32.58 31.13 2p2k s HIS 127 CO -0.00 -0.05 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.39 2p2k s PHE 128 N 0.48 0.61 -0.07 3.88 -0.12 0.45 -5.00 117.98 118.21 2p2k s PHE 128 Ca -0.04 -0.71 -0.03 0.00 -0.05 0.00 0.00 56.93 56.09 2p2k s PHE 128 Cb -0.07 -0.38 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2p2k s PHE 128 CO -0.01 -0.18 0.15 1.41 -0.05 0.00 0.00 175.22 176.54 2p2k s MET 129 N -2.53 0.10 -0.19 1.99 1.75 -1.26 -0.87 119.30 118.30 2p2k s MET 129 Ca -0.03 0.36 0.01 0.00 -1.25 0.00 0.00 55.69 54.78 2p2k s MET 129 Cb -0.03 -0.15 0.03 0.00 2.84 0.00 0.00 34.83 37.52 2p2k s MET 129 CO -0.03 -0.15 -0.17 -0.06 -0.65 0.00 0.00 175.02 173.96 2p2k s PHE 130 N 1.06 2.69 -0.43 4.11 0.08 0.94 -4.91 117.98 121.51 2p2k s PHE 130 Ca -0.08 -1.65 0.17 0.00 0.12 0.00 0.00 56.93 55.48 2p2k s PHE 130 Cb -0.10 -1.83 -0.22 0.00 -0.57 0.00 0.00 43.02 40.30 2p2k s PHE 130 CO -0.05 -0.79 0.56 0.09 -0.10 0.00 0.00 175.22 174.93 2p2k n ASN 131 N 4.63 0.91 -3.94 1.36 3.02 -1.26 -0.59 115.26 119.39 2p2k n ASN 131 Ca -0.19 -0.48 -0.18 0.00 -0.03 0.00 0.00 54.58 53.70 2p2k n ASN 131 Cb 0.48 1.37 -0.15 0.00 -0.61 0.00 0.00 39.78 40.87 2p2k n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2p2k s GLN 132 N -2.87 0.68 0.06 3.52 -0.21 -1.26 -4.67 119.66 114.90 2p2k s GLN 132 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2p2k s GLN 132 Cb 0.12 -0.67 -0.04 0.00 1.00 0.00 0.00 33.01 33.42 2p2k s GLN 132 CO 0.70 0.04 0.18 -0.06 -2.12 0.00 0.00 175.29 174.03 2p2k s PHE 133 N 0.35 3.45 0.22 0.91 0.40 0.96 -5.02 117.98 119.25 2p2k s PHE 133 Ca -0.04 0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.60 2p2k s PHE 133 Cb -0.08 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2p2k s PHE 133 CO -0.00 0.58 -0.06 -1.54 0.70 0.00 0.00 175.22 174.90 2p2k s SER 134 N -2.43 4.35 0.36 1.36 1.04 -1.26 -4.23 113.70 112.88 2p2k s SER 134 Ca 0.33 -0.63 0.15 0.00 0.48 0.00 0.00 55.95 56.28 2p2k s SER 134 Cb -0.13 -0.75 1.03 0.00 0.10 0.00 0.00 66.02 66.27 2p2k s SER 134 CO 0.26 0.06 1.73 0.50 0.98 0.00 0.00 173.24 176.76 2p2k h LYS 135 N 2.45 0.43 -3.14 4.02 3.64 -0.43 -3.06 116.57 120.48 2p2k h LYS 135 Ca -0.45 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.28 2p2k h LYS 135 Cb 1.23 -0.10 -0.41 0.00 -0.41 0.00 0.00 32.23 32.54 2p2k h LYS 135 CO 0.57 0.28 -0.67 0.34 -2.27 0.00 0.00 179.45 177.71 2p2k s ASP 136 N -5.13 4.06 -0.73 4.20 2.15 -1.26 -4.75 116.67 115.20 2p2k s ASP 136 Ca -0.10 -3.07 -0.15 0.00 0.43 0.00 0.00 52.55 49.67 2p2k s ASP 136 Cb 0.27 -1.39 0.18 0.00 -0.30 0.00 0.00 42.92 41.69 2p2k s ASP 136 CO 0.80 -0.21 0.70 -1.58 -0.17 0.00 0.00 175.17 174.71 2p2k s GLN 137 N -0.31 3.39 0.40 4.34 2.00 -1.16 -4.87 119.66 123.46 2p2k s GLN 137 Ca 0.20 -2.16 0.28 0.00 -2.00 0.00 0.00 55.36 51.67 2p2k s GLN 137 Cb -0.20 -4.40 1.10 0.00 0.80 0.00 0.00 33.01 30.31 2p2k s GLN 137 CO -0.04 -1.33 1.83 0.87 -0.50 0.00 0.00 175.29 176.12 2p2k h LYS 138 N 8.21 0.00 -0.58 1.67 1.57 -1.94 -2.21 116.57 123.29 2p2k h LYS 138 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2p2k h LYS 138 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2p2k h LYS 138 CO 0.87 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.35 2p2k n ASP 139 N -2.68 3.25 -4.24 0.86 5.75 -1.26 -4.82 116.55 113.41 2p2k n ASP 139 Ca 0.02 -2.17 -0.30 0.00 -0.01 0.00 0.00 54.79 52.33 2p2k n ASP 139 Cb 0.30 -0.43 -0.16 0.00 -1.03 0.00 0.00 41.12 39.80 2p2k n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p2k s LEU 140 N -1.25 2.03 -0.41 -2.12 1.43 -0.83 -0.06 118.68 117.47 2p2k s LEU 140 Ca 0.37 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 2p2k s LEU 140 Cb 0.21 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 45.19 2p2k s LEU 140 CO 0.21 0.23 0.57 -0.63 0.23 0.00 0.00 176.35 176.96 2p2k s ILE 141 N -0.17 4.93 -0.15 -0.59 1.01 0.93 -4.83 121.20 122.32 2p2k s ILE 141 Ca -0.02 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 2p2k s ILE 141 Cb -0.13 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2p2k s ILE 141 CO 0.03 -0.46 0.50 -0.76 0.00 0.00 0.00 174.94 174.25 2p2k s LEU 142 N 2.58 4.22 0.20 2.97 1.43 -1.26 -0.36 118.68 128.46 2p2k s LEU 142 Ca 0.20 0.76 0.11 0.00 -1.03 0.00 0.00 54.13 54.16 2p2k s LEU 142 Cb -0.15 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2p2k s LEU 142 CO 0.16 -0.08 -0.18 -1.10 0.23 0.00 0.00 176.35 175.38 2p2k s GLN 143 N 1.07 1.73 7.82 1.70 -0.21 0.11 -4.94 119.66 126.93 2p2k s GLN 143 Ca 0.25 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2p2k s GLN 143 Cb -0.15 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 31.90 2p2k s GLN 143 CO 0.10 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2p2k n GLY 144 N 0.10 3.50 0.22 3.09 0.00 -1.26 -1.30 105.19 109.54 2p2k n GLY 144 Ca -0.11 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2p2k n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p2k n ASP 145 N 4.78 0.68 -4.75 1.61 8.00 0.22 -4.91 116.55 122.19 2p2k n ASP 145 Ca 0.00 -1.30 -0.41 0.00 0.71 0.00 0.00 54.79 53.79 2p2k n ASP 145 Cb 0.00 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2p2k n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p2k s ALA 146 N -1.98 3.51 0.05 2.24 0.00 -1.06 -4.37 121.76 120.14 2p2k s ALA 146 Ca 0.40 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.52 2p2k s ALA 146 Cb 0.20 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2p2k s ALA 146 CO 0.33 -0.53 -0.09 0.95 0.00 0.00 0.00 175.76 176.42 2p2k s THR 147 N -0.34 0.65 -0.07 0.00 -4.23 0.46 -4.72 115.64 107.39 2p2k s THR 147 Ca 0.53 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2p2k s THR 147 Cb -0.37 -0.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.70 2p2k s THR 147 CO 0.42 -0.38 -0.06 0.42 -0.54 0.00 0.00 174.62 174.49 2p2k s THR 148 N -1.47 3.81 0.00 3.99 -4.23 -1.26 0.04 115.64 116.51 2p2k s THR 148 Ca -0.07 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2p2k s THR 148 Cb -0.09 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2p2k s THR 148 CO 0.00 0.60 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 2p2k n GLY 149 N 2.23 -0.12 3.85 3.99 0.00 0.21 -4.07 105.19 111.28 2p2k n GLY 149 Ca -0.18 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 2p2k n GLY 149 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2p2k s THR 150 N -0.24 4.03 0.00 2.61 -1.32 -1.26 0.17 115.64 119.62 2p2k s THR 150 Ca 0.00 0.66 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2p2k s THR 150 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2p2k s THR 150 CO 0.00 -0.86 0.00 -0.90 -2.21 0.00 0.00 174.62 170.65 2p2k n ASP 151 N -3.02 0.00 -0.11 8.08 5.75 -1.26 -4.87 116.55 121.12 2p2k n ASP 151 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.83 2p2k n ASP 151 Cb 0.55 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 2p2k n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2p2k n GLY 152 N 0.00 0.45 3.94 6.12 0.00 -1.26 -4.96 105.19 109.49 2p2k n GLY 152 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2p2k n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2p2k s ASN 153 N -2.19 6.07 -0.30 1.61 0.01 -1.26 -0.03 114.94 118.85 2p2k s ASN 153 Ca 0.00 -0.06 -0.13 0.00 -0.71 0.00 0.00 52.86 51.96 2p2k s ASN 153 Cb 0.00 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.00 2p2k s ASN 153 CO 0.00 -0.15 0.26 -0.22 -1.51 0.00 0.00 177.10 175.48 2p2k s LEU 154 N -3.99 4.22 -0.46 0.60 2.96 -0.20 -0.62 118.68 121.19 2p2k s LEU 154 Ca 0.36 -0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 54.04 2p2k s LEU 154 Cb -0.09 -2.21 0.08 0.00 0.50 0.00 0.00 46.19 44.48 2p2k s LEU 154 CO 0.29 -0.16 0.36 -1.61 -1.32 0.00 0.00 176.35 173.90 2p2k s GLU 155 N 1.84 2.83 0.27 1.98 0.41 0.11 0.57 118.70 126.69 2p2k s GLU 155 Ca 0.09 -1.45 0.04 0.00 -0.41 0.00 0.00 54.97 53.23 2p2k s GLU 155 Cb -0.16 -4.02 0.36 0.00 -1.78 0.00 0.00 34.13 28.53 2p2k s GLU 155 CO 0.11 -1.05 1.66 -0.07 -0.49 0.00 0.00 175.26 175.42 2p2k h LEU 156 N 8.64 0.36 -9.09 1.80 3.38 -1.68 0.13 115.31 118.85 2p2k h LEU 156 Ca -0.26 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.03 2p2k h LEU 156 Cb 1.10 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2p2k h LEU 156 CO 0.86 0.74 -0.73 0.42 0.09 0.00 0.00 178.44 179.82 2p2k s THR 157 N -4.14 2.00 0.15 0.22 -4.23 -1.26 -2.58 115.64 105.80 2p2k s THR 157 Ca -0.05 -2.26 -0.31 0.00 -1.18 0.00 0.00 61.69 57.89 2p2k s THR 157 Cb 0.13 -2.26 -0.10 0.00 1.34 0.00 0.00 72.50 71.61 2p2k s THR 157 CO 0.79 -0.44 1.68 -0.60 -0.54 0.00 0.00 174.62 175.51 2p2k s ARG 158 N -3.62 4.17 -0.08 3.99 6.06 -1.26 -4.69 118.95 123.53 2p2k s ARG 158 Ca 0.27 2.46 0.04 0.00 -2.50 0.00 0.00 55.73 56.01 2p2k s ARG 158 Cb -0.01 -3.32 -0.00 0.00 0.06 0.00 0.00 34.95 31.68 2p2k s ARG 158 CO 0.11 -0.72 -0.22 0.08 -2.50 0.00 0.00 175.30 172.06 2p2k s VAL 159 N 1.78 1.87 0.70 7.11 1.01 -1.26 -0.96 120.40 130.65 2p2k s VAL 159 Ca 0.74 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2p2k s VAL 159 Cb -0.45 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2p2k s VAL 159 CO 0.33 0.52 1.08 -0.44 0.00 0.00 0.00 175.10 176.58 2p2k s SER 160 N 0.21 5.14 0.28 3.32 0.01 0.78 -4.89 113.70 118.55 2p2k s SER 160 Ca -0.13 1.77 0.01 0.00 1.31 0.00 0.00 55.95 58.91 2p2k s SER 160 Cb -0.16 -2.52 0.65 0.00 0.21 0.00 0.00 66.02 64.21 2p2k s SER 160 CO 0.06 -1.60 1.69 -1.28 0.41 0.00 0.00 173.24 172.51 2p2k h SER 161 N -0.55 0.21 0.00 2.44 0.87 -2.00 0.37 113.55 114.89 2p2k h SER 161 Ca -0.45 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2p2k h SER 161 Cb 1.22 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2p2k h SER 161 CO 0.55 -0.03 0.00 -0.46 -0.53 0.00 0.00 176.83 176.36 2p2k n ASN 162 N -5.09 0.00 0.00 6.23 0.23 -1.26 -4.82 115.26 110.54 2p2k n ASN 162 Ca 0.20 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2p2k n ASN 162 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 2p2k n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p2k n GLY 163 N 0.44 1.37 3.68 4.83 0.00 0.13 -5.02 105.19 110.62 2p2k n GLY 163 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2p2k n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p2k s SER 164 N -3.11 7.00 0.51 1.61 0.15 -1.24 -4.64 113.70 113.98 2p2k s SER 164 Ca 0.00 1.83 -0.21 0.00 0.70 0.00 0.00 55.95 58.27 2p2k s SER 164 Cb 0.00 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2p2k s SER 164 CO 0.00 -0.63 1.18 -2.16 1.20 0.00 0.00 173.24 172.83 2p2k s PRO 165 N 2.48 3.49 0.08 5.44 0.04 -1.26 -0.15 135.00 145.11 2p2k s PRO 165 Ca 0.57 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2p2k s PRO 165 Cb -0.25 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2p2k s PRO 165 CO 0.21 -0.78 0.24 -0.65 0.04 0.00 0.00 177.00 176.06 2p2k s GLN 166 N -2.95 3.45 0.94 4.56 -0.21 -0.13 -4.75 119.66 120.58 2p2k s GLN 166 Ca 0.69 -0.44 -0.14 0.00 0.02 0.00 0.00 55.36 55.49 2p2k s GLN 166 Cb -0.29 -3.01 0.16 0.00 1.00 0.00 0.00 33.01 30.87 2p2k s GLN 166 CO 0.34 0.58 1.20 0.20 -2.12 0.00 0.00 175.29 175.49 2p2k s GLY 167 N -2.62 1.64 -1.51 3.09 0.00 -1.26 -4.23 107.32 102.43 2p2k s GLY 167 Ca 0.35 -0.81 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 2p2k s GLY 167 CO 0.28 -0.16 0.56 1.44 0.00 0.00 0.00 173.10 175.22 2p2k n SER 168 N -3.81 -1.46 -4.40 1.64 7.64 0.27 -4.82 113.62 108.68 2p2k n SER 168 Ca 0.10 -1.00 -0.30 0.00 1.01 0.00 0.00 58.87 58.68 2p2k n SER 168 Cb 0.60 -2.99 -0.14 0.00 -1.01 0.00 0.00 64.21 60.67 2p2k n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2p2k s SER 169 N -3.98 3.44 -0.07 6.43 0.15 -1.14 -4.95 113.70 113.58 2p2k s SER 169 Ca 0.27 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 2p2k s SER 169 Cb -0.14 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.79 2p2k s SER 169 CO 0.90 0.24 0.23 0.54 1.20 0.00 0.00 173.24 176.35 2p2k s VAL 170 N -0.90 0.02 0.01 4.45 0.11 -1.26 -0.39 120.40 122.44 2p2k s VAL 170 Ca 0.13 -0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 2p2k s VAL 170 Cb -0.10 -0.39 0.09 0.00 -1.53 0.00 0.00 36.38 34.45 2p2k s VAL 170 CO 0.04 -0.09 0.77 -0.83 -3.33 0.00 0.00 175.10 171.66 2p2k s GLY 171 N -0.30 -0.51 0.02 6.54 0.00 -0.64 0.72 107.32 113.15 2p2k s GLY 171 Ca -0.04 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.69 2p2k s GLY 171 CO 0.01 0.52 0.10 0.50 0.00 0.00 0.00 173.10 174.23 2p2k s ARG 172 N -2.59 0.53 -0.10 2.90 0.52 -0.42 -1.27 118.95 118.51 2p2k s ARG 172 Ca -0.01 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2p2k s ARG 172 Cb -0.01 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.68 2p2k s ARG 172 CO -0.05 -0.13 -0.17 0.00 0.02 0.00 0.00 175.30 174.98 2p2k s ALA 173 N -2.06 1.78 -0.01 2.13 0.00 0.24 0.05 121.76 123.90 2p2k s ALA 173 Ca -0.10 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.16 2p2k s ALA 173 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2p2k s ALA 173 CO -0.02 0.02 -0.21 -0.51 0.00 0.00 0.00 175.76 175.04 2p2k s LEU 174 N 0.81 2.40 0.34 0.00 2.01 0.52 0.15 118.68 124.91 2p2k s LEU 174 Ca -0.10 -0.39 -0.29 0.00 0.01 0.00 0.00 54.13 53.36 2p2k s LEU 174 Cb -0.16 -1.44 -0.11 0.00 0.01 0.00 0.00 46.19 44.50 2p2k s LEU 174 CO 0.01 0.31 1.44 0.12 1.01 0.00 0.00 176.35 179.24 2p2k s PHE 175 N -0.74 2.77 0.19 0.29 5.36 -0.10 -0.05 117.98 125.69 2p2k s PHE 175 Ca 0.12 1.19 -0.12 0.00 -0.96 0.00 0.00 56.93 57.15 2p2k s PHE 175 Cb -0.10 -3.92 0.14 0.00 -0.34 0.00 0.00 43.02 38.80 2p2k s PHE 175 CO 0.01 -2.71 1.81 -0.92 -1.46 0.00 0.00 175.22 171.95 2p2k h TYR 176 N 3.46 0.60 -3.83 10.12 5.03 -0.80 -3.43 116.97 128.13 2p2k h TYR 176 Ca -0.50 0.02 -0.48 0.00 2.58 0.00 0.00 58.73 60.36 2p2k h TYR 176 Cb 1.23 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 2p2k h TYR 176 CO 0.55 0.33 0.32 0.00 -1.32 0.00 0.00 178.16 178.03 2p2k s ALA 177 N -6.13 3.25 0.67 1.82 0.00 -1.26 -4.97 121.76 115.15 2p2k s ALA 177 Ca -0.13 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 2p2k s ALA 177 Cb 0.14 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2p2k s ALA 177 CO 0.75 0.20 1.28 -2.14 0.00 0.00 0.00 175.76 175.85 2p2k s PRO 178 N -1.92 2.39 -0.07 0.00 0.02 -1.26 -4.77 135.00 129.39 2p2k s PRO 178 Ca 0.48 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.58 2p2k s PRO 178 Cb -0.19 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2p2k s PRO 178 CO 0.24 -1.71 -0.23 0.08 -0.33 0.00 0.00 177.00 175.05 2p2k s VAL 179 N -1.51 2.24 -0.79 3.83 1.01 0.21 -4.92 120.40 120.48 2p2k s VAL 179 Ca 0.81 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2p2k s VAL 179 Cb -0.36 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.29 2p2k s VAL 179 CO 0.42 0.57 1.00 -2.28 0.00 0.00 0.00 175.10 174.80 2p2k s HIS 180 N -0.13 2.98 -0.03 5.22 2.46 -1.26 -0.68 115.29 123.86 2p2k s HIS 180 Ca -0.04 -1.08 0.12 0.00 0.47 0.00 0.00 55.06 54.52 2p2k s HIS 180 Cb -0.14 -4.23 -0.12 0.00 -0.13 0.00 0.00 32.58 27.96 2p2k s HIS 180 CO 0.04 -1.49 1.15 0.97 -2.47 0.00 0.00 174.74 172.93 2p2k h ILE 181 N 5.85 1.13 -3.83 0.89 6.09 -0.87 -3.46 117.51 123.31 2p2k h ILE 181 Ca -0.05 -2.73 -0.09 0.00 -1.37 0.00 0.00 64.86 60.62 2p2k h ILE 181 Cb 1.05 2.52 -0.14 0.00 0.47 0.00 0.00 36.82 40.72 2p2k h ILE 181 CO 1.12 0.64 -0.36 -1.66 -3.07 0.00 0.00 178.15 174.82 2p2k s TRP 182 N -2.80 0.22 -0.16 2.19 1.48 -1.18 -4.72 118.94 113.98 2p2k s TRP 182 Ca 0.00 -0.63 -0.10 0.00 -1.06 0.00 0.00 56.10 54.31 2p2k s TRP 182 Cb 0.09 -0.06 0.05 0.00 -1.16 0.00 0.00 33.47 32.39 2p2k s TRP 182 CO 0.80 -0.59 0.39 -2.00 -4.06 0.00 0.00 176.95 171.48 2p2k s GLU 183 N -3.89 0.39 0.27 3.25 -6.30 -1.26 -4.76 118.70 106.40 2p2k s GLU 183 Ca 0.08 0.68 -0.01 0.00 -2.50 0.00 0.00 54.97 53.22 2p2k s GLU 183 Cb 0.04 0.04 0.59 0.00 0.00 0.00 0.00 34.13 34.81 2p2k s GLU 183 CO -0.08 -0.13 1.65 1.03 0.02 0.00 0.00 175.26 177.76 2p2k h SER 184 N 6.63 -0.06 -0.03 -1.70 0.87 -2.01 -0.87 113.55 116.38 2p2k h SER 184 Ca -0.34 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2p2k h SER 184 Cb 1.18 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2p2k h SER 184 CO 0.29 -0.13 0.00 -1.54 -0.53 0.00 0.00 176.83 174.93 2p2k n SER 185 N -5.23 1.42 -4.71 6.23 3.41 -1.26 -4.91 113.62 108.57 2p2k n SER 185 Ca 0.18 -1.49 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 2p2k n SER 185 Cb 0.58 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2p2k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p2k s ALA 186 N -1.97 3.28 0.14 7.33 0.00 -0.33 -4.50 121.76 125.70 2p2k s ALA 186 Ca 0.38 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 2p2k s ALA 186 Cb 0.21 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2p2k s ALA 186 CO 0.33 -0.34 1.42 -0.24 0.00 0.00 0.00 175.76 176.93 2p2k h VAL 187 N 4.66 1.29 -3.36 0.00 3.04 0.10 -3.43 116.25 118.56 2p2k h VAL 187 Ca -0.41 -1.83 -0.41 0.00 -1.01 0.00 0.00 66.70 63.03 2p2k h VAL 187 Cb 1.22 1.77 -0.36 0.00 -2.01 0.00 0.00 31.29 31.91 2p2k h VAL 187 CO 0.78 0.58 -0.77 -0.69 -1.01 0.00 0.00 177.57 176.47 2p2k s VAL 188 N -3.98 0.40 -0.20 1.51 1.01 -0.21 -4.72 120.40 114.22 2p2k s VAL 188 Ca -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2p2k s VAL 188 Cb 0.10 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2p2k s VAL 188 CO 0.88 0.23 -0.08 0.00 0.00 0.00 0.00 175.10 176.13 2p2k s ALA 189 N 1.47 2.73 0.03 5.51 0.00 -1.26 -0.29 121.76 129.95 2p2k s ALA 189 Ca -0.03 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2p2k s ALA 189 Cb -0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2p2k s ALA 189 CO -0.03 -0.27 -0.15 -1.54 0.00 0.00 0.00 175.76 173.77 2p2k s SER 190 N 1.20 1.78 0.04 0.00 1.04 0.11 0.70 113.70 118.57 2p2k s SER 190 Ca 0.02 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2p2k s SER 190 Cb -0.14 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 2p2k s SER 190 CO -0.02 0.08 -0.07 0.72 0.98 0.00 0.00 173.24 174.92 2p2k s PHE 191 N -0.74 0.66 0.04 5.02 -0.12 0.29 -0.75 117.98 122.38 2p2k s PHE 191 Ca 0.03 -0.53 0.03 0.00 -0.05 0.00 0.00 56.93 56.41 2p2k s PHE 191 Cb -0.08 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 2p2k s PHE 191 CO 0.01 -0.10 -0.10 0.16 -0.05 0.00 0.00 175.22 175.14 2p2k s ASP 192 N -1.67 1.17 -0.00 1.98 -4.77 0.35 -1.19 116.67 112.54 2p2k s ASP 192 Ca -0.09 -0.49 0.01 0.00 -3.30 0.00 0.00 52.55 48.68 2p2k s ASP 192 Cb -0.09 -0.02 -0.00 0.00 -1.09 0.00 0.00 42.92 41.71 2p2k s ASP 192 CO -0.00 -0.09 -0.03 0.00 0.70 0.00 0.00 175.17 175.75 2p2k s ALA 193 N -1.09 0.25 0.02 2.11 0.00 0.20 -0.80 121.76 122.46 2p2k s ALA 193 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2p2k s ALA 193 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2p2k s ALA 193 CO 0.01 0.06 -0.07 -0.08 0.00 0.00 0.00 175.76 175.68 2p2k s THR 194 N -0.04 0.50 0.03 0.00 -1.32 -0.18 0.24 115.64 114.87 2p2k s THR 194 Ca 0.01 -0.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.71 2p2k s THR 194 Cb -0.02 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2p2k s THR 194 CO -0.00 -0.15 0.18 0.72 -2.21 0.00 0.00 174.62 173.17 2p2k s PHE 195 N -0.80 0.06 0.15 9.09 -0.71 -0.54 0.84 117.98 126.07 2p2k s PHE 195 Ca -0.04 -0.26 0.10 0.00 -1.04 0.00 0.00 56.93 55.69 2p2k s PHE 195 Cb -0.06 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2p2k s PHE 195 CO 0.00 -0.41 -0.20 0.95 -1.34 0.00 0.00 175.22 174.22 2p2k s THR 196 N -2.38 2.65 0.08 -4.49 -4.23 -0.68 -0.33 115.64 106.26 2p2k s THR 196 Ca -0.07 -1.72 -0.16 0.00 -1.18 0.00 0.00 61.69 58.57 2p2k s THR 196 Cb -0.02 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.62 2p2k s THR 196 CO -0.03 0.01 0.38 0.72 -0.54 0.00 0.00 174.62 175.16 2p2k s PHE 197 N -1.34 -0.19 -0.23 3.99 -0.12 -0.46 -0.89 117.98 118.74 2p2k s PHE 197 Ca 0.19 -0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 57.03 2p2k s PHE 197 Cb -0.09 0.20 0.07 0.00 -0.63 0.00 0.00 43.02 42.57 2p2k s PHE 197 CO 0.10 -0.62 0.05 -1.17 -0.05 0.00 0.00 175.22 173.53 2p2k s LEU 198 N -2.44 1.39 -0.32 -1.99 0.20 0.19 -1.11 118.68 114.59 2p2k s LEU 198 Ca -0.01 -1.04 -0.08 0.00 0.69 0.00 0.00 54.13 53.70 2p2k s LEU 198 Cb 0.01 -0.65 0.02 0.00 -0.43 0.00 0.00 46.19 45.14 2p2k s LEU 198 CO -0.08 -0.34 0.12 -0.63 -0.29 0.00 0.00 176.35 175.14 2p2k s ILE 199 N 1.81 4.15 -0.03 6.68 1.01 -1.26 -2.20 121.20 131.37 2p2k s ILE 199 Ca 0.02 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2p2k s ILE 199 Cb -0.17 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2p2k s ILE 199 CO -0.14 -0.04 -0.23 -0.75 0.00 0.00 0.00 174.94 173.78 2p2k s LYS 200 N 1.51 2.07 -0.15 2.79 2.20 -1.24 -0.19 119.74 126.73 2p2k s LYS 200 Ca 0.02 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 2p2k s LYS 200 Cb -0.18 -1.91 0.04 0.00 -1.51 0.00 0.00 37.83 34.27 2p2k s LYS 200 CO 0.04 0.45 -0.04 0.45 -0.36 0.00 0.00 175.35 175.89 2p2k s SER 201 N -0.39 2.67 0.05 1.43 0.15 -1.26 0.01 113.70 116.35 2p2k s SER 201 Ca 0.04 -0.59 -0.27 0.00 0.70 0.00 0.00 55.95 55.83 2p2k s SER 201 Cb -0.11 -0.83 -0.17 0.00 -1.71 0.00 0.00 66.02 63.20 2p2k s SER 201 CO 0.01 -0.19 1.51 1.55 1.20 0.00 0.00 173.24 177.31 2p2k h PRO 202 N 8.16 -0.37 -5.32 5.44 0.13 -1.95 -3.39 132.00 134.70 2p2k h PRO 202 Ca -0.23 0.03 -0.36 0.00 -0.87 0.00 0.00 66.00 64.56 2p2k h PRO 202 Cb 1.12 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2p2k h PRO 202 CO 0.38 -0.14 1.39 -0.40 -0.23 0.00 0.00 178.00 179.00 2p2k n ASP 203 N -5.19 1.21 0.00 1.44 3.85 -1.26 -4.78 116.55 111.83 2p2k n ASP 203 Ca -0.10 -0.54 0.00 0.00 -0.71 0.00 0.00 54.79 53.44 2p2k n ASP 203 Cb 0.22 -1.30 0.00 0.00 -1.35 0.00 0.00 41.12 38.69 2p2k n ASP 203 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2p2k n SER 204 N 13.83 0.00 -3.87 -1.12 3.41 -1.26 -3.71 113.62 120.90 2p2k n SER 204 Ca 0.50 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.83 2p2k n SER 204 Cb 0.34 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.16 2p2k n SER 204 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2p2k s HIS 205 N -0.42 3.19 0.37 7.33 4.02 -1.26 -5.09 115.29 123.44 2p2k s HIS 205 Ca 0.00 -3.17 -0.25 0.00 1.02 0.00 0.00 55.06 52.66 2p2k s HIS 205 Cb 0.00 -2.58 -0.09 0.00 -1.02 0.00 0.00 32.58 28.89 2p2k s HIS 205 CO 0.00 -0.64 1.08 -1.25 1.02 0.00 0.00 174.74 174.95 2p2k s PRO 206 N -0.88 4.24 0.19 8.40 0.04 -1.24 -3.35 135.00 142.39 2p2k s PRO 206 Ca 0.22 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 2p2k s PRO 206 Cb -0.12 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.75 2p2k s PRO 206 CO -0.10 -0.10 0.57 0.00 0.04 0.00 0.00 177.00 177.40 2p2k s ALA 207 N -1.50 -1.17 -0.04 8.56 0.00 -1.20 -4.37 121.76 122.04 2p2k s ALA 207 Ca 0.55 -0.02 0.13 0.00 0.00 0.00 0.00 51.96 52.62 2p2k s ALA 207 Cb -0.26 0.85 -0.20 0.00 0.00 0.00 0.00 23.12 23.52 2p2k s ALA 207 CO 0.33 -0.82 0.24 -0.25 0.00 0.00 0.00 175.76 175.26 2p2k n ASP 208 N -0.36 1.94 0.00 0.00 8.00 0.13 -2.21 116.55 124.05 2p2k n ASP 208 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2p2k n ASP 208 Cb 0.63 1.45 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 2p2k n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p2k n GLY 209 N 1.84 0.53 3.07 0.44 0.00 -1.17 -1.97 105.19 107.93 2p2k n GLY 209 Ca -0.06 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 2p2k n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p2k s ILE 210 N -1.43 0.98 0.04 -0.61 1.01 -0.40 -2.56 121.20 118.22 2p2k s ILE 210 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.19 2p2k s ILE 210 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 2p2k s ILE 210 CO 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 174.94 175.07 2p2k s ALA 211 N -0.16 1.26 -0.02 9.38 0.00 0.22 0.29 121.76 132.73 2p2k s ALA 211 Ca 0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.93 2p2k s ALA 211 Cb -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2p2k s ALA 211 CO -0.00 0.25 0.64 0.12 0.00 0.00 0.00 175.76 176.77 2p2k s PHE 212 N -0.80 3.65 0.06 0.00 5.36 -0.54 0.25 117.98 125.97 2p2k s PHE 212 Ca 0.03 1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 57.22 2p2k s PHE 212 Cb -0.08 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.88 2p2k s PHE 212 CO 0.01 0.26 -0.02 -0.59 -1.46 0.00 0.00 175.22 173.43 2p2k s PHE 213 N 0.12 0.58 -0.06 10.12 -0.71 0.66 -0.50 117.98 128.19 2p2k s PHE 213 Ca 0.33 -1.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.15 2p2k s PHE 213 Cb -0.18 -0.41 0.01 0.00 -1.21 0.00 0.00 43.02 41.23 2p2k s PHE 213 CO 0.18 -0.40 -0.13 0.42 -1.34 0.00 0.00 175.22 173.94 2p2k s ILE 214 N -3.94 1.16 0.31 -4.49 1.01 0.73 -0.34 121.20 115.64 2p2k s ILE 214 Ca 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2p2k s ILE 214 Cb 0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2p2k s ILE 214 CO -0.08 0.35 0.33 -0.55 0.00 0.00 0.00 174.94 174.99 2p2k s SER 215 N 0.46 1.12 0.73 3.58 0.15 0.12 -1.67 113.70 118.19 2p2k s SER 215 Ca -0.11 -1.58 -0.16 0.00 0.70 0.00 0.00 55.95 54.81 2p2k s SER 215 Cb -0.14 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2p2k s SER 215 CO 0.03 -1.11 0.88 -0.46 1.20 0.00 0.00 173.24 173.78 2p2k n ASN 216 N -1.25 0.10 0.16 5.45 6.94 -1.20 -0.99 115.26 124.47 2p2k n ASN 216 Ca 0.04 0.64 0.07 0.00 -0.02 0.00 0.00 54.58 55.31 2p2k n ASN 216 Cb 0.63 -1.37 0.57 0.00 -2.36 0.00 0.00 39.78 37.24 2p2k n ASN 216 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2p2k h ILE 217 N -0.36 1.03 -0.38 1.53 2.04 -1.83 -1.10 117.51 118.44 2p2k h ILE 217 Ca -0.47 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2p2k h ILE 217 Cb 1.33 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2p2k h ILE 217 CO 0.46 0.04 0.00 -0.90 0.00 0.00 0.00 178.15 177.74 2p2k n ASP 218 N -4.51 3.74 -4.69 1.72 5.75 -1.26 -4.69 116.55 112.61 2p2k n ASP 218 Ca -0.00 -2.49 -0.44 0.00 -0.01 0.00 0.00 54.79 51.85 2p2k n ASP 218 Cb 0.10 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.60 2p2k n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2p2k n SER 219 N 0.46 2.88 -4.25 -1.12 2.88 -0.42 -4.99 113.62 109.07 2p2k n SER 219 Ca 0.17 1.16 -0.14 0.00 -1.33 0.00 0.00 58.87 58.74 2p2k n SER 219 Cb 0.78 -1.46 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 2p2k n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2p2k s SER 220 N 0.12 1.34 -0.03 -3.46 1.04 -1.26 -5.06 113.70 106.39 2p2k s SER 220 Ca 0.63 -1.15 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 2p2k s SER 220 Cb -0.61 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 65.53 2p2k s SER 220 CO 0.54 -0.53 2.05 -0.63 0.98 0.00 0.00 173.24 175.65 2p2k s ILE 221 N -3.59 3.00 0.28 -1.02 1.01 -1.26 -4.92 121.20 114.71 2p2k s ILE 221 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2p2k s ILE 221 Cb 0.06 -3.00 -0.12 0.00 0.01 0.00 0.00 42.46 39.40 2p2k s ILE 221 CO 0.03 -0.00 1.48 -2.65 0.00 0.00 0.00 174.94 173.80 2p2k n PRO 222 N 7.90 2.37 -1.63 2.79 -0.02 -1.26 -4.90 135.00 140.25 2p2k n PRO 222 Ca 0.23 0.84 -0.47 0.00 -2.02 0.00 0.00 63.50 62.08 2p2k n PRO 222 Cb 0.42 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 2p2k n PRO 222 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2p2k n SER 223 N 1.90 2.18 -0.21 2.55 7.64 -1.26 -1.53 113.62 124.88 2p2k n SER 223 Ca 0.09 1.13 -0.03 0.00 1.01 0.00 0.00 58.87 61.08 2p2k n SER 223 Cb 0.35 -1.33 -0.01 0.00 -1.01 0.00 0.00 64.21 62.20 2p2k n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p2k n GLY 224 N 2.25 0.55 0.84 0.23 0.00 -1.26 -4.87 105.19 102.93 2p2k n GLY 224 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.92 2p2k n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p2k n SER 225 N 0.03 2.12 -3.86 1.61 3.41 -0.58 -4.84 113.62 111.52 2p2k n SER 225 Ca -0.03 -2.22 -0.29 0.00 -0.26 0.00 0.00 58.87 56.07 2p2k n SER 225 Cb 0.21 -0.54 0.28 0.00 -0.26 0.00 0.00 64.21 63.90 2p2k n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2p2k s THR 226 N -1.36 1.52 0.00 6.66 -4.23 -1.26 0.16 115.64 117.12 2p2k s THR 226 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2p2k s THR 226 Cb 0.09 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2p2k s THR 226 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2p2k n GLY 227 N 1.48 2.30 0.00 3.99 0.00 0.12 -3.07 105.19 110.01 2p2k n GLY 227 Ca 0.08 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2p2k n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2p2k n ARG 228 N 13.30 0.22 0.02 1.61 1.85 -1.26 -1.52 116.66 130.88 2p2k n ARG 228 Ca 0.00 0.13 0.12 0.00 -1.00 0.00 0.00 57.85 57.09 2p2k n ARG 228 Cb 0.00 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.07 2p2k n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2p2k n LEU 229 N -1.31 0.60 -1.75 2.89 4.77 -1.17 -4.96 117.00 116.05 2p2k n LEU 229 Ca 0.08 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2p2k n LEU 229 Cb 0.15 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2p2k n LEU 229 CO 0.14 0.09 -0.21 0.18 -1.33 0.00 0.00 177.39 176.26 2p2k n LEU 230 N -1.70 -1.59 -0.92 2.23 4.32 -0.57 -0.77 117.00 117.99 2p2k n LEU 230 Ca 0.04 0.20 -0.12 0.00 -0.02 0.00 0.00 56.01 56.11 2p2k n LEU 230 Cb 0.37 -2.59 -0.05 0.00 -1.62 0.00 0.00 43.42 39.53 2p2k n LEU 230 CO 0.37 -0.55 -0.11 0.61 -1.22 0.00 0.00 177.39 176.49 2p2k n GLY 231 N -0.89 1.27 0.05 -0.72 0.00 0.12 -3.93 105.19 101.09 2p2k n GLY 231 Ca -0.20 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 2p2k n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2p2k n LEU 232 N -1.37 2.94 -4.39 0.99 4.32 0.05 -4.39 117.00 115.15 2p2k n LEU 232 Ca -0.12 -0.03 -0.29 0.00 -0.02 0.00 0.00 56.01 55.55 2p2k n LEU 232 Cb 0.45 -0.20 -0.13 0.00 -1.62 0.00 0.00 43.42 41.92 2p2k n LEU 232 CO 0.18 0.59 -0.56 -0.36 -1.22 0.00 0.00 177.39 176.02 2p2k s PHE 233 N -2.11 2.34 -0.97 -1.77 0.08 -1.08 -4.71 117.98 109.76 2p2k s PHE 233 Ca -0.08 -0.37 0.26 0.00 0.12 0.00 0.00 56.93 56.86 2p2k s PHE 233 Cb 0.02 -1.30 1.09 0.00 -0.57 0.00 0.00 43.02 42.26 2p2k s PHE 233 CO 0.13 0.29 1.83 -0.35 -0.10 0.00 0.00 175.22 177.03 2p2k n PRO 234 N 1.11 0.03 -3.83 0.24 -0.04 -1.26 -4.52 135.00 126.73 2p2k n PRO 234 Ca -0.17 0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 2p2k n PRO 234 Cb 0.53 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2p2k n PRO 234 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2p2k s ASP 235 N -3.15 -0.06 -0.06 3.54 1.47 -1.26 -4.89 116.67 112.25 2p2k s ASP 235 Ca 0.12 -0.75 0.19 0.00 1.18 0.00 0.00 52.55 53.29 2p2k s ASP 235 Cb 0.17 0.63 0.65 0.00 -0.34 0.00 0.00 42.92 44.02 2p2k s ASP 235 CO 0.49 -1.22 1.55 0.00 0.68 0.00 0.00 175.17 176.67 2p2k n ALA 236 N -0.57 2.79 0.00 2.11 0.00 -1.26 -4.70 120.51 118.87 2p2k n ALA 236 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.02 2p2k n ALA 236 Cb 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2p2k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59