#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krv s MET 1 N 0.00 4.19 -0.03 0.00 0.00 -1.26 -5.02 119.30 117.18 3krv s MET 1 Ca 0.00 2.42 -0.12 0.00 0.00 0.00 0.00 55.69 57.99 3krv s MET 1 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 34.83 31.54 3krv s MET 1 CO 0.00 -0.67 0.34 0.15 0.00 0.00 0.00 175.02 174.83 3krv s LYS 2 N 1.50 3.78 -0.19 4.11 1.02 -1.26 -4.95 119.74 123.76 3krv s LYS 2 Ca 0.72 0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 3krv s LYS 2 Cb -0.44 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3krv s LYS 2 CO 0.32 0.71 -0.12 0.08 -0.92 0.00 0.00 175.35 175.42 3krv s VAL 3 N -1.08 2.86 -0.25 3.17 1.01 -1.26 -1.16 120.40 123.69 3krv s VAL 3 Ca 0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3krv s VAL 3 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3krv s VAL 3 CO 0.11 0.48 0.09 -0.31 0.00 0.00 0.00 175.10 175.47 3krv s TYR 4 N 1.16 3.11 -0.38 5.22 2.02 0.17 -4.95 117.35 123.69 3krv s TYR 4 Ca 0.01 -0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 56.11 3krv s TYR 4 Cb -0.14 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 3krv s TYR 4 CO -0.04 -0.32 0.95 0.34 -1.57 0.00 0.00 175.55 174.91 3krv s ASP 5 N 1.59 6.67 -0.35 2.29 2.15 -1.26 -1.41 116.67 126.35 3krv s ASP 5 Ca 0.06 0.55 0.07 0.00 0.43 0.00 0.00 52.55 53.66 3krv s ASP 5 Cb -0.15 -2.47 0.49 0.00 -0.30 0.00 0.00 42.92 40.49 3krv s ASP 5 CO 0.05 -0.91 1.49 1.33 -0.17 0.00 0.00 175.17 176.96 3krv n VAL 6 N 6.08 2.72 -4.23 1.11 0.24 -0.97 -4.94 118.33 118.34 3krv n VAL 6 Ca 0.08 -3.10 -0.30 0.00 -2.04 0.00 0.00 64.34 58.97 3krv n VAL 6 Cb 0.48 -0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 3krv n VAL 6 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3krv s THR 7 N -3.78 3.40 0.06 3.34 2.01 -1.26 -1.10 115.64 118.31 3krv s THR 7 Ca 0.49 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 3krv s THR 7 Cb 0.42 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 70.29 3krv s THR 7 CO 0.01 0.12 0.42 0.00 -0.69 0.00 0.00 174.62 174.47 3krv s ALA 8 N -1.21 3.70 0.66 7.40 0.00 -1.26 -4.85 121.76 126.20 3krv s ALA 8 Ca 0.21 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 3krv s ALA 8 Cb -0.11 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3krv s ALA 8 CO 0.14 0.53 1.05 -1.25 0.00 0.00 0.00 175.76 176.23 3krv s PRO 9 N -1.67 3.12 -0.17 0.00 0.04 -1.26 -4.60 135.00 130.46 3krv s PRO 9 Ca 0.31 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 3krv s PRO 9 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3krv s PRO 9 CO 0.17 -0.96 -0.11 0.42 0.04 0.00 0.00 177.00 176.56 3krv s ILE 10 N -2.87 3.02 -0.12 0.56 1.01 -1.26 -4.97 121.20 116.57 3krv s ILE 10 Ca 0.59 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3krv s ILE 10 Cb -0.14 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.14 3krv s ILE 10 CO 0.49 0.49 1.00 -0.72 0.00 0.00 0.00 174.94 176.20 3krv s TYR 11 N 0.90 -0.32 0.24 3.97 -0.85 -1.26 -5.09 117.35 114.95 3krv s TYR 11 Ca -0.03 0.40 -0.31 0.00 -0.52 0.00 0.00 57.07 56.61 3krv s TYR 11 Cb -0.15 0.49 -0.12 0.00 0.38 0.00 0.00 41.96 42.56 3krv s TYR 11 CO -0.00 -0.38 1.67 -1.21 -1.52 0.00 0.00 175.55 174.11 3krv s GLU 12 N -1.93 4.12 0.00 -3.49 2.02 -1.26 -2.01 118.70 116.15 3krv s GLU 12 Ca 0.02 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.61 3krv s GLU 12 Cb -0.01 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.17 3krv s GLU 12 CO -0.03 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.96 3krv n GLY 13 N 3.19 0.75 3.79 -1.39 0.00 -1.26 -5.08 105.19 105.20 3krv n GLY 13 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3krv n GLY 13 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3krv s MET 14 N -0.50 1.71 0.14 1.61 0.23 -0.85 -4.98 119.30 116.65 3krv s MET 14 Ca 0.00 0.52 -0.31 0.00 -1.03 0.00 0.00 55.69 54.86 3krv s MET 14 Cb 0.00 -1.89 -0.09 0.00 -1.53 0.00 0.00 34.83 31.32 3krv s MET 14 CO 0.00 -1.86 1.51 -2.14 -2.03 0.00 0.00 175.02 170.50 3krv s PRO 15 N -5.19 4.25 0.26 3.16 0.02 -1.26 -5.01 135.00 131.23 3krv s PRO 15 Ca 0.62 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.92 3krv s PRO 15 Cb -0.15 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 3krv s PRO 15 CO 0.54 -0.56 0.07 0.14 -0.33 0.00 0.00 177.00 176.86 3krv s VAL 16 N 1.23 0.72 0.07 3.83 -7.23 -1.26 -4.75 120.40 113.01 3krv s VAL 16 Ca 0.68 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 3krv s VAL 16 Cb -0.41 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 33.84 3krv s VAL 16 CO 0.31 -0.07 1.92 0.00 -0.31 0.00 0.00 175.10 176.95 3krv n TYR 17 N -0.48 2.57 -1.44 2.82 9.36 -1.26 -1.23 117.16 127.50 3krv n TYR 17 Ca -0.01 -0.29 -0.15 0.00 3.32 0.00 0.00 57.90 60.77 3krv n TYR 17 Cb 0.66 -2.78 -0.06 0.00 -0.63 0.00 0.00 39.34 36.53 3krv n TYR 17 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3krv n LYS 18 N 6.75 -1.33 -1.18 2.98 5.02 -1.26 -2.39 118.16 126.75 3krv n LYS 18 Ca 0.19 0.89 -0.06 0.00 -2.02 0.00 0.00 58.31 57.31 3krv n LYS 18 Cb 0.39 -5.17 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 3krv n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3krv n ASN 19 N -0.71 -4.80 -4.66 4.39 5.03 -0.37 -4.94 115.26 109.21 3krv n ASN 19 Ca -0.15 0.15 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 3krv n ASN 19 Cb 0.49 -2.84 -0.03 0.00 -1.02 0.00 0.00 39.78 36.39 3krv n ASN 19 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3krv s LYS 20 N -2.14 4.19 0.27 3.52 1.02 -1.01 -4.90 119.74 120.71 3krv s LYS 20 Ca 0.00 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.12 3krv s LYS 20 Cb 0.00 -3.91 0.59 0.00 -0.52 0.00 0.00 37.83 33.99 3krv s LYS 20 CO 0.00 -0.81 1.74 -1.35 -0.92 0.00 0.00 175.35 174.02 3krv h PRO 21 N 9.20 0.54 0.00 -1.68 0.11 -1.92 -1.21 132.00 137.05 3krv h PRO 21 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3krv h PRO 21 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3krv h PRO 21 CO 0.95 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 178.25 3krv n GLU 22 N -4.92 0.05 0.00 1.05 0.00 -1.26 -2.00 120.64 113.56 3krv n GLU 22 Ca 0.19 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.98 3krv n GLU 22 Cb 0.50 -1.65 0.10 0.00 0.00 0.00 0.00 31.44 30.38 3krv n GLU 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3krv n LYS 23 N -1.75 0.43 -2.01 3.44 5.02 -0.45 -4.90 118.16 117.94 3krv n LYS 23 Ca -0.00 -0.32 -0.40 0.00 -2.02 0.00 0.00 58.31 55.57 3krv n LYS 23 Cb 0.03 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3krv n LYS 23 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3krv s GLN 24 N -2.79 4.02 0.73 1.97 -1.52 -0.85 -4.55 119.66 116.67 3krv s GLN 24 Ca 0.14 2.24 -0.11 0.00 -1.95 0.00 0.00 55.36 55.69 3krv s GLN 24 Cb 0.17 -2.83 0.03 0.00 -0.22 0.00 0.00 33.01 30.17 3krv s GLN 24 CO 0.69 -0.48 1.07 -1.25 -0.25 0.00 0.00 175.29 175.08 3krv s PRO 25 N -2.17 2.67 -0.08 2.91 0.04 -1.26 -4.78 135.00 132.33 3krv s PRO 25 Ca 0.55 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3krv s PRO 25 Cb -0.40 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.18 3krv s PRO 25 CO 0.52 -1.25 -0.14 0.15 0.04 0.00 0.00 177.00 176.32 3krv s LYS 26 N -5.10 1.99 -0.14 4.56 1.02 -0.41 -4.48 119.74 117.18 3krv s LYS 26 Ca 0.59 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 3krv s LYS 26 Cb -0.14 -1.64 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 3krv s LYS 26 CO 0.55 0.02 0.24 0.50 -0.92 0.00 0.00 175.35 175.73 3krv s ARG 27 N 0.74 4.05 -0.21 1.68 3.52 -1.26 -0.79 118.95 126.68 3krv s ARG 27 Ca -0.13 0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 3krv s ARG 27 Cb -0.16 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3krv s ARG 27 CO 0.03 0.40 -0.14 0.99 -0.81 0.00 0.00 175.30 175.77 3krv s THR 28 N -0.01 2.01 0.05 4.11 2.01 -0.30 -4.98 115.64 118.55 3krv s THR 28 Ca 0.15 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 3krv s THR 28 Cb -0.13 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3krv s THR 28 CO 0.03 0.24 0.32 -0.89 -0.69 0.00 0.00 174.62 173.63 3krv s THR 29 N 1.24 5.23 -0.06 -0.82 2.01 -1.26 -1.33 115.64 120.65 3krv s THR 29 Ca -0.02 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3krv s THR 29 Cb -0.16 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.77 3krv s THR 29 CO -0.09 0.27 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.44 3krv s ILE 30 N -1.41 0.60 -0.05 1.82 1.01 -0.04 -5.00 121.20 118.13 3krv s ILE 30 Ca 0.32 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.91 3krv s ILE 30 Cb -0.13 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3krv s ILE 30 CO 0.19 0.26 -0.22 -0.89 0.00 0.00 0.00 174.94 174.28 3krv s THR 31 N 1.23 2.38 -0.32 2.92 2.01 -1.26 -1.81 115.64 120.79 3krv s THR 31 Ca -0.06 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 3krv s THR 31 Cb -0.14 -1.88 0.11 0.00 0.01 0.00 0.00 72.50 70.60 3krv s THR 31 CO -0.02 0.57 0.14 0.20 -0.69 0.00 0.00 174.62 174.83 3krv s ASN 32 N -0.38 3.62 1.66 3.53 0.01 -0.66 -5.04 114.94 117.68 3krv s ASN 32 Ca 0.03 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 3krv s ASN 32 Cb -0.12 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 40.96 3krv s ASN 32 CO 0.02 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 3krv n GLY 33 N 4.78 3.38 0.02 0.66 0.00 -1.26 -2.68 105.19 110.09 3krv n GLY 33 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3krv n GLY 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3krv n TYR 34 N 13.32 0.15 -2.83 1.61 0.18 -1.26 -4.86 117.16 123.47 3krv n TYR 34 Ca 0.00 0.04 -0.43 0.00 1.88 0.00 0.00 57.90 59.40 3krv n TYR 34 Cb 0.00 -0.40 -0.04 0.00 -0.38 0.00 0.00 39.34 38.52 3krv n TYR 34 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3krv s VAL 35 N -3.04 4.59 -0.16 -3.48 1.01 -1.09 -5.05 120.40 113.17 3krv s VAL 35 Ca 0.10 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 3krv s VAL 35 Cb 0.17 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3krv s VAL 35 CO 0.68 -0.55 -0.03 -0.89 0.00 0.00 0.00 175.10 174.30 3krv s THR 36 N 3.45 3.86 -0.01 3.92 2.01 -1.26 -1.65 115.64 125.97 3krv s THR 36 Ca 0.37 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3krv s THR 36 Cb -0.12 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 3krv s THR 36 CO 0.19 0.48 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.91 3krv s GLU 37 N 0.50 0.69 0.21 4.92 2.02 -0.75 -5.02 118.70 121.27 3krv s GLU 37 Ca -0.03 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 54.70 3krv s GLU 37 Cb -0.14 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 3krv s GLU 37 CO 0.03 0.16 0.02 -1.54 0.02 0.00 0.00 175.26 173.95 3krv s SER 38 N -0.13 1.48 0.02 -0.19 1.04 -1.26 -0.86 113.70 113.79 3krv s SER 38 Ca 0.02 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.29 3krv s SER 38 Cb -0.04 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3krv s SER 38 CO -0.00 -0.57 -0.20 -0.13 0.98 0.00 0.00 173.24 173.31 3krv s ARG 39 N -3.91 2.10 -0.12 4.02 0.52 -0.44 -4.97 118.95 116.14 3krv s ARG 39 Ca 0.28 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3krv s ARG 39 Cb 0.06 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 3krv s ARG 39 CO 0.08 0.55 -0.15 -1.50 0.02 0.00 0.00 175.30 174.30 3krv s ILE 40 N -0.81 2.86 -0.29 1.52 1.10 -1.26 -1.15 121.20 123.17 3krv s ILE 40 Ca 0.13 -0.73 -0.01 0.00 -0.51 0.00 0.00 60.65 59.52 3krv s ILE 40 Cb -0.10 -2.18 0.05 0.00 0.15 0.00 0.00 42.46 40.37 3krv s ILE 40 CO 0.03 0.53 -0.02 -0.62 -2.11 0.00 0.00 174.94 172.75 3krv s ASP 41 N 0.32 4.76 0.02 4.50 -1.08 0.03 -4.99 116.67 120.23 3krv s ASP 41 Ca -0.12 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.67 3krv s ASP 41 Cb -0.16 -1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 39.60 3krv s ASP 41 CO 0.06 -0.23 -0.03 0.00 0.52 0.00 0.00 175.17 175.49 3krv s MET 42 N 1.24 0.28 0.33 4.34 0.23 -1.26 -1.28 119.30 123.17 3krv s MET 42 Ca -0.05 -0.54 -0.29 0.00 -1.03 0.00 0.00 55.69 53.79 3krv s MET 42 Cb -0.19 0.08 -0.12 0.00 -1.53 0.00 0.00 34.83 33.07 3krv s MET 42 CO -0.02 -0.04 1.37 -3.47 -2.03 0.00 0.00 175.02 170.83 3krv n ASP 43 N 1.79 3.04 0.13 -1.18 2.03 -1.26 -4.90 116.55 116.20 3krv n ASP 43 Ca -0.22 1.20 0.11 0.00 0.52 0.00 0.00 54.79 56.39 3krv n ASP 43 Cb 0.56 -1.51 0.49 0.00 -0.72 0.00 0.00 41.12 39.94 3krv n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3krv n VAL 44 N 0.72 0.96 -1.00 5.18 0.24 -1.26 -2.44 118.33 120.73 3krv n VAL 44 Ca 0.05 0.41 0.01 0.00 -2.04 0.00 0.00 64.34 62.77 3krv n VAL 44 Cb 0.36 -1.35 0.34 0.00 -1.47 0.00 0.00 33.84 31.72 3krv n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3krv n HIS 45 N -2.17 2.08 -2.54 6.34 8.25 -1.26 -2.82 115.22 123.09 3krv n HIS 45 Ca 0.01 -0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 56.07 3krv n HIS 45 Cb 0.15 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.66 3krv n HIS 45 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3krv s THR 46 N -2.90 4.15 0.00 1.59 2.01 -1.02 -4.86 115.64 114.61 3krv s THR 46 Ca 0.53 1.70 0.00 0.00 0.31 0.00 0.00 61.69 64.23 3krv s THR 46 Cb 0.42 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3krv s THR 46 CO 0.13 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 3krv n GLY 47 N 2.54 3.44 3.67 4.40 0.00 -1.26 -4.31 105.19 113.66 3krv n GLY 47 Ca 0.05 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3krv n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krv s THR 48 N 0.00 4.76 0.07 2.61 2.01 -1.25 -4.25 115.64 119.60 3krv s THR 48 Ca 0.00 1.94 -0.16 0.00 0.31 0.00 0.00 61.69 63.78 3krv s THR 48 Cb 0.00 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.27 3krv s THR 48 CO 0.00 -0.07 0.37 -1.38 -0.69 0.00 0.00 174.62 172.85 3krv s HIS 49 N 2.55 -0.18 -0.11 4.92 -0.00 -0.53 -1.17 115.29 120.76 3krv s HIS 49 Ca 0.44 -0.00 -0.06 0.00 -0.00 0.00 0.00 55.06 55.43 3krv s HIS 49 Cb -0.16 0.18 -0.04 0.00 -0.00 0.00 0.00 32.58 32.56 3krv s HIS 49 CO 0.12 -0.60 0.12 0.42 -0.00 0.00 0.00 174.74 174.80 3krv s ILE 50 N -3.04 5.35 -0.18 -5.38 -1.09 0.04 -0.80 121.20 116.10 3krv s ILE 50 Ca -0.02 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3krv s ILE 50 Cb 0.01 -3.33 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3krv s ILE 50 CO -0.06 0.61 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.54 3krv s ASP 51 N -1.05 3.04 0.17 3.58 -1.08 0.92 -1.63 116.67 120.62 3krv s ASP 51 Ca 0.15 -0.72 0.06 0.00 -0.52 0.00 0.00 52.55 51.52 3krv s ASP 51 Cb -0.12 -1.10 -0.04 0.00 -1.46 0.00 0.00 42.92 40.21 3krv s ASP 51 CO 0.04 -0.14 0.05 0.00 0.52 0.00 0.00 175.17 175.64 3krv s ALA 52 N 1.51 3.35 0.37 3.66 0.00 0.47 -0.95 121.76 130.17 3krv s ALA 52 Ca 0.01 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 3krv s ALA 52 Cb -0.15 -1.15 -0.11 0.00 0.00 0.00 0.00 23.12 21.70 3krv s ALA 52 CO -0.08 0.50 1.25 -2.30 0.00 0.00 0.00 175.76 175.13 3krv n PRO 53 N -0.17 1.97 -0.26 0.00 -0.02 -1.26 -4.83 135.00 130.43 3krv n PRO 53 Ca -0.09 0.70 0.25 0.00 -2.02 0.00 0.00 63.50 62.33 3krv n PRO 53 Cb 0.55 -2.30 0.60 0.00 -0.02 0.00 0.00 33.50 32.32 3krv n PRO 53 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3krv h LEU 54 N 2.30 0.26 -0.39 2.45 4.07 -1.92 -1.40 115.31 120.68 3krv h LEU 54 Ca -0.46 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3krv h LEU 54 Cb 1.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.03 3krv h LEU 54 CO 0.61 0.08 0.00 0.00 -1.08 0.00 0.00 178.44 178.05 3krv n HIS 55 N -4.44 0.61 0.38 1.13 1.44 -1.26 -2.45 115.22 110.63 3krv n HIS 55 Ca 0.22 0.22 0.14 0.00 -2.01 0.00 0.00 57.72 56.29 3krv n HIS 55 Cb 0.90 -0.86 0.51 0.00 0.12 0.00 0.00 29.99 30.65 3krv n HIS 55 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 3krv h MET 56 N 0.00 0.00 -2.77 -1.40 2.86 -1.61 -3.42 114.93 108.59 3krv h MET 56 Ca 0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 3krv h MET 56 Cb 0.42 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 31.69 3krv h MET 56 CO 0.00 0.00 -0.69 0.08 1.06 0.00 0.00 176.91 177.36 3krv s VAL 57 N -3.38 -0.21 0.15 -2.22 1.01 -1.02 -4.69 120.40 110.03 3krv s VAL 57 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3krv s VAL 57 Cb 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3krv s VAL 57 CO 0.50 -0.26 0.00 1.21 0.00 0.00 0.00 175.10 176.55 3krv n GLU 58 N 5.30 -2.65 0.00 2.72 2.13 -1.26 -4.90 120.64 121.97 3krv n GLU 58 Ca -0.06 2.01 0.00 0.00 0.66 0.00 0.00 57.16 59.77 3krv n GLU 58 Cb 0.49 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3krv n GLU 58 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3krv n THR 62 N 0.43 0.00 -1.74 6.31 -1.04 -1.26 -4.82 114.28 112.17 3krv n THR 62 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3krv n THR 62 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3krv n THR 62 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3krv n PHE 63 N 0.00 2.15 -2.41 -1.42 3.72 -1.26 -4.91 117.46 113.32 3krv n PHE 63 Ca 0.00 -2.51 -0.43 0.00 -0.05 0.00 0.00 57.45 54.46 3krv n PHE 63 Cb 0.00 -1.74 -0.02 0.00 -0.94 0.00 0.00 39.48 36.78 3krv n PHE 63 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3krv s GLU 64 N -0.95 4.28 0.15 -1.08 2.56 -1.26 -4.91 118.70 117.49 3krv s GLU 64 Ca 0.57 1.70 0.01 0.00 0.00 0.00 0.00 54.97 57.25 3krv s GLU 64 Cb 0.25 -3.67 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 3krv s GLU 64 CO -0.13 -0.60 0.02 0.95 -0.56 0.00 0.00 175.26 174.95 3krv s THR 65 N 2.91 0.43 0.03 -1.70 -4.23 -1.26 -1.21 115.64 110.61 3krv s THR 65 Ca 0.56 -1.94 -0.35 0.00 -1.18 0.00 0.00 61.69 58.78 3krv s THR 65 Cb -0.24 -2.06 -0.14 0.00 1.34 0.00 0.00 72.50 71.40 3krv s THR 65 CO 0.19 -0.50 1.62 -0.38 -0.54 0.00 0.00 174.62 175.01 3krv n ILE 66 N -0.16 0.18 -1.87 2.99 5.41 -1.26 -4.82 119.36 119.82 3krv n ILE 66 Ca -0.07 -0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.34 3krv n ILE 66 Cb 0.63 -1.43 0.02 0.00 -0.71 0.00 0.00 39.64 38.15 3krv n ILE 66 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3krv s PRO 67 N 1.88 3.41 0.00 0.38 0.04 -1.26 -4.98 135.00 134.48 3krv s PRO 67 Ca 0.86 0.89 0.20 0.00 0.04 0.00 0.00 61.00 62.99 3krv s PRO 67 Cb -0.79 -2.05 -0.18 0.00 0.04 0.00 0.00 34.50 31.52 3krv s PRO 67 CO 0.46 -0.72 0.90 1.28 0.04 0.00 0.00 177.00 178.97 3krv n LEU 68 N -2.63 1.17 -0.23 -3.56 4.77 -1.26 -4.53 117.00 110.72 3krv n LEU 68 Ca 0.07 -0.55 0.23 0.00 -0.03 0.00 0.00 56.01 55.73 3krv n LEU 68 Cb 0.54 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.22 3krv n LEU 68 CO 0.55 0.27 1.24 0.78 -1.33 0.00 0.00 177.39 178.89 3krv h ASN 69 N 0.48 0.26 0.00 -1.43 4.21 -1.93 -1.42 115.58 115.74 3krv h ASN 69 Ca 0.00 0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 3krv h ASN 69 Cb 0.53 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 3krv h ASN 69 CO 0.00 0.09 -1.69 0.47 -1.29 0.00 0.00 177.43 175.02 3krv n ASP 70 N -4.44 1.75 0.01 5.81 8.00 -1.26 -4.29 116.55 122.14 3krv n ASP 70 Ca 0.20 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.83 3krv n ASP 70 Cb 0.83 1.53 0.55 0.00 -0.02 0.00 0.00 41.12 44.01 3krv n ASP 70 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3krv n LEU 71 N -2.06 0.08 -3.91 0.64 4.77 -0.63 -4.55 117.00 111.34 3krv n LEU 71 Ca -0.05 0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 56.13 3krv n LEU 71 Cb 0.45 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 3krv n LEU 71 CO 0.30 -0.07 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.21 3krv s VAL 72 N -3.02 1.53 -5.00 4.08 1.01 -0.67 -0.92 120.40 117.42 3krv s VAL 72 Ca 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3krv s VAL 72 Cb 0.17 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3krv s VAL 72 CO 0.49 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3krv n GLY 73 N 4.63 -1.45 3.77 4.51 0.00 -0.14 -4.85 105.19 111.66 3krv n GLY 73 Ca -0.07 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3krv n GLY 73 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3krv s PRO 74 N -1.97 4.00 0.34 1.61 0.02 -1.26 -0.15 135.00 137.59 3krv s PRO 74 Ca 0.00 2.16 0.07 0.00 0.02 0.00 0.00 61.00 63.25 3krv s PRO 74 Cb 0.00 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 3krv s PRO 74 CO 0.00 -0.47 0.26 0.00 -0.33 0.00 0.00 177.00 176.46 3krv s LYS 76 N -3.47 1.22 -0.15 0.00 1.02 -0.40 -2.00 119.74 115.94 3krv s LYS 76 Ca 0.38 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 56.12 3krv s LYS 76 Cb 0.02 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.19 3krv s LYS 76 CO 0.26 -0.06 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.40 3krv s LEU 77 N 0.91 3.10 -0.06 3.17 0.20 -0.44 -0.08 118.68 125.47 3krv s LEU 77 Ca -0.11 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.56 3krv s LEU 77 Cb -0.15 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 3krv s LEU 77 CO 0.01 0.17 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.71 3krv s PHE 78 N 0.37 2.66 -0.42 5.38 0.08 -0.67 -1.78 117.98 123.60 3krv s PHE 78 Ca -0.06 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 3krv s PHE 78 Cb -0.15 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3krv s PHE 78 CO 0.04 0.03 0.82 0.34 -0.10 0.00 0.00 175.22 176.35 3krv s ASP 79 N -0.42 6.49 -0.23 1.36 -1.08 -1.26 -1.73 116.67 119.79 3krv s ASP 79 Ca 0.05 0.13 0.11 0.00 -0.52 0.00 0.00 52.55 52.32 3krv s ASP 79 Cb -0.12 -2.41 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 3krv s ASP 79 CO 0.02 -0.88 1.20 0.18 0.52 0.00 0.00 175.17 176.21 3krv n LEU 80 N 6.72 3.46 0.28 -1.34 4.77 0.80 -4.78 117.00 126.90 3krv n LEU 80 Ca 0.04 -4.10 0.18 0.00 -0.03 0.00 0.00 56.01 52.10 3krv n LEU 80 Cb 0.48 -0.37 0.85 0.00 -2.33 0.00 0.00 43.42 42.05 3krv n LEU 80 CO 0.58 1.62 1.04 0.71 -1.33 0.00 0.00 177.39 180.01 3krv h THR 81 N 2.05 0.00 0.00 -5.08 1.35 -1.82 -2.78 112.91 106.62 3krv h THR 81 Ca 0.13 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.64 3krv h THR 81 Cb 1.28 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3krv h THR 81 CO 0.32 0.00 -0.26 1.12 -0.25 0.00 0.00 175.52 176.45 3krv h HIS 82 N 0.00 0.00 -3.95 4.73 2.07 -1.91 -3.40 115.15 112.68 3krv h HIS 82 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3krv h HIS 82 Cb 0.31 0.00 0.10 0.00 2.57 0.00 0.00 27.41 30.39 3krv h HIS 82 CO 0.00 0.26 0.71 0.08 -3.07 0.00 0.00 177.93 175.91 3krv s VAL 83 N -4.00 2.22 0.05 6.12 1.01 -1.05 -5.03 120.40 119.72 3krv s VAL 83 Ca -0.02 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3krv s VAL 83 Cb 0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3krv s VAL 83 CO 0.65 0.04 -0.19 0.20 0.00 0.00 0.00 175.10 175.81 3krv s ASN 84 N -0.41 3.75 0.00 3.32 0.01 -1.26 -4.77 114.94 115.58 3krv s ASN 84 Ca 0.56 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3krv s ASN 84 Cb -0.43 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 40.65 3krv s ASN 84 CO 0.57 0.25 0.00 -0.67 -1.51 0.00 0.00 177.10 175.74 3krv n ASP 85 N 1.52 0.00 -3.55 -1.22 2.03 -1.26 -4.77 116.55 109.30 3krv n ASP 85 Ca -0.16 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.99 3krv n ASP 85 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3krv n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krv s ARG 86 N 0.00 0.92 -0.18 -0.67 1.70 -1.26 -3.66 118.95 115.80 3krv s ARG 86 Ca 0.00 0.34 -0.27 0.00 -0.47 0.00 0.00 55.73 55.33 3krv s ARG 86 Cb 0.00 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3krv s ARG 86 CO 0.00 -0.26 0.94 0.42 -1.08 0.00 0.00 175.30 175.32 3krv s ILE 87 N -0.92 4.79 0.35 4.99 1.01 0.83 -4.90 121.20 127.34 3krv s ILE 87 Ca -0.07 1.85 0.08 0.00 0.00 0.00 0.00 60.65 62.51 3krv s ILE 87 Cb -0.01 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3krv s ILE 87 CO 0.07 -0.05 0.22 0.42 0.00 0.00 0.00 174.94 175.59 3krv s THR 88 N 2.51 3.17 0.28 2.92 -4.23 -1.26 -0.32 115.64 118.71 3krv s THR 88 Ca 0.42 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 3krv s THR 88 Cb -0.16 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 70.89 3krv s THR 88 CO 0.11 -0.16 1.72 0.50 -0.54 0.00 0.00 174.62 176.25 3krv h LYS 89 N 1.39 0.48 -0.36 3.99 3.64 -1.89 -0.23 116.57 123.59 3krv h LYS 89 Ca -0.44 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 3krv h LYS 89 Cb 1.25 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3krv h LYS 89 CO 0.61 0.32 0.25 0.22 -2.27 0.00 0.00 179.45 178.57 3krv h ASP 90 N 0.49 0.28 1.53 4.20 3.58 -1.95 0.26 116.42 124.81 3krv h ASP 90 Ca 0.54 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 3krv h ASP 90 Cb 0.94 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.93 3krv h ASP 90 CO -0.47 0.19 0.00 0.44 -2.88 0.00 0.00 179.24 176.52 3krv h ASP 91 N 0.32 0.00 0.00 2.28 3.32 -1.43 -3.35 116.42 117.57 3krv h ASP 91 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3krv h ASP 91 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3krv h ASP 91 CO -0.03 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.79 3krv n ILE 92 N -2.74 0.00 0.23 0.35 -5.35 -0.69 -4.80 119.36 106.36 3krv n ILE 92 Ca 0.04 -0.42 0.07 0.00 -0.27 0.00 0.00 62.75 62.18 3krv n ILE 92 Cb 0.43 1.07 0.57 0.00 -1.74 0.00 0.00 39.64 39.96 3krv n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3krv h ALA 93 N 0.00 1.56 -0.00 -1.28 0.00 -0.66 -2.57 119.26 116.31 3krv h ALA 93 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3krv h ALA 93 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3krv h ALA 93 CO 0.00 0.22 -0.35 -2.39 0.00 0.00 0.00 179.25 176.73 3krv n HIS 94 N -4.11 0.00 -2.13 0.00 1.44 -1.26 -4.92 115.22 104.23 3krv n HIS 94 Ca -0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.36 3krv n HIS 94 Cb 0.25 -0.26 -0.00 0.00 0.12 0.00 0.00 29.99 30.09 3krv n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3krv s LEU 95 N -2.88 3.53 -1.27 2.39 1.43 -0.97 -4.94 118.68 115.98 3krv s LEU 95 Ca 0.15 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 54.83 3krv s LEU 95 Cb 0.18 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.92 3krv s LEU 95 CO 0.63 -1.03 1.76 -0.62 0.23 0.00 0.00 176.35 177.31 3krv s ASP 96 N -2.82 6.56 -0.18 2.29 2.15 -1.26 -4.91 116.67 118.50 3krv s ASP 96 Ca 0.63 -2.29 0.01 0.00 0.43 0.00 0.00 52.55 51.32 3krv s ASP 96 Cb -0.15 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 3krv s ASP 96 CO 0.35 -1.46 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.09 3krv s ILE 97 N 5.24 1.96 0.31 4.11 1.01 -1.26 -5.11 121.20 127.46 3krv s ILE 97 Ca 0.56 -0.95 0.11 0.00 0.00 0.00 0.00 60.65 60.37 3krv s ILE 97 Cb 0.03 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 3krv s ILE 97 CO 0.08 0.46 -0.12 -1.10 0.00 0.00 0.00 174.94 174.26 3krv s GLN 98 N 1.32 1.83 0.20 2.79 -1.52 -1.26 -5.08 119.66 117.93 3krv s GLN 98 Ca 0.04 -1.80 -0.30 0.00 -1.95 0.00 0.00 55.36 51.35 3krv s GLN 98 Cb -0.14 -1.80 -0.16 0.00 -0.22 0.00 0.00 33.01 30.69 3krv s GLN 98 CO -0.12 0.24 0.77 -1.91 -0.25 0.00 0.00 175.29 174.02 3krv n GLU 99 N -0.75 0.46 -0.04 2.91 2.13 -1.25 -1.88 120.64 122.22 3krv n GLU 99 Ca -0.05 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3krv n GLU 99 Cb 0.62 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.97 3krv n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krv n GLY 100 N 1.76 2.17 3.85 8.31 0.00 -0.65 -4.89 105.19 115.74 3krv n GLY 100 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3krv n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krv s ASP 101 N -3.47 6.41 -0.24 1.61 1.11 -0.79 -4.12 116.67 117.18 3krv s ASP 101 Ca 0.00 1.53 -0.00 0.00 0.18 0.00 0.00 52.55 54.26 3krv s ASP 101 Cb 0.00 -2.50 0.03 0.00 1.07 0.00 0.00 42.92 41.53 3krv s ASP 101 CO 0.00 -0.74 -0.09 0.12 1.18 0.00 0.00 175.17 175.64 3krv s PHE 102 N -2.82 3.09 -0.05 4.23 5.36 -1.26 -0.16 117.98 126.36 3krv s PHE 102 Ca 0.58 -1.77 0.03 0.00 -0.96 0.00 0.00 56.93 54.80 3krv s PHE 102 Cb -0.11 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 3krv s PHE 102 CO 0.40 -0.78 -0.12 0.14 -1.46 0.00 0.00 175.22 173.40 3krv s VAL 103 N 1.26 3.27 -0.02 3.12 -7.23 -0.23 -1.28 120.40 119.29 3krv s VAL 103 Ca -0.02 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 3krv s VAL 103 Cb -0.17 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 3krv s VAL 103 CO -0.06 0.58 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.35 3krv s LEU 104 N -0.79 2.38 -0.31 1.32 1.43 0.88 -0.72 118.68 122.87 3krv s LEU 104 Ca 0.12 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3krv s LEU 104 Cb -0.11 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.73 3krv s LEU 104 CO 0.01 0.32 0.03 -0.36 0.23 0.00 0.00 176.35 176.57 3krv s PHE 105 N -0.71 3.29 -0.26 0.29 0.08 -0.13 -1.67 117.98 118.87 3krv s PHE 105 Ca 0.11 -1.88 -0.29 0.00 0.12 0.00 0.00 56.93 54.99 3krv s PHE 105 Cb -0.10 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 3krv s PHE 105 CO 0.01 -0.81 1.11 0.21 -0.10 0.00 0.00 175.22 175.63 3krv s LYS 106 N 1.26 4.15 0.21 0.44 2.20 -0.71 -3.96 119.74 123.33 3krv s LYS 106 Ca -0.04 1.27 0.01 0.00 -0.36 0.00 0.00 55.97 56.86 3krv s LYS 106 Cb -0.20 -3.72 -0.00 0.00 -1.51 0.00 0.00 37.83 32.40 3krv s LYS 106 CO -0.01 -0.80 0.04 0.25 -0.36 0.00 0.00 175.35 174.48 3krv n THR 107 N 5.63 0.00 0.33 3.43 -2.24 -1.26 -0.14 114.28 120.03 3krv n THR 107 Ca 0.13 -1.12 0.21 0.00 -2.27 0.00 0.00 64.05 61.00 3krv n THR 107 Cb 0.46 0.34 1.12 0.00 -2.10 0.00 0.00 70.33 70.16 3krv n THR 107 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3krv h LYS 108 N 0.00 0.00 -0.69 -0.78 1.57 -1.79 -1.83 116.57 113.04 3krv h LYS 108 Ca -0.17 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.75 3krv h LYS 108 Cb 0.58 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 3krv h LYS 108 CO 0.27 0.00 0.46 -0.91 -0.57 0.00 0.00 179.45 178.70 3krv h ASN 109 N 0.00 0.32 0.98 0.86 -0.26 -1.92 -1.06 115.58 114.50 3krv h ASN 109 Ca 0.00 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3krv h ASN 109 Cb 0.09 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3krv h ASN 109 CO -0.00 0.17 -0.01 0.28 -1.06 0.00 0.00 177.43 176.82 3krv h SER 110 N 0.35 0.00 -0.52 5.81 0.02 -1.53 -2.44 113.55 115.24 3krv h SER 110 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3krv h SER 110 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3krv h SER 110 CO -0.09 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.09 3krv n PHE 111 N -3.10 0.69 -4.97 3.45 3.72 -0.40 -4.47 117.46 112.38 3krv n PHE 111 Ca 0.00 -0.34 -0.31 0.00 -0.05 0.00 0.00 57.45 56.75 3krv n PHE 111 Cb 0.30 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.70 3krv n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3krv s GLU 112 N -1.31 2.07 -0.16 -1.08 2.02 -0.92 -5.04 118.70 114.27 3krv s GLU 112 Ca 0.40 -0.96 0.17 0.00 0.02 0.00 0.00 54.97 54.60 3krv s GLU 112 Cb 0.22 -2.11 -0.23 0.00 0.10 0.00 0.00 34.13 32.10 3krv s GLU 112 CO 0.29 0.55 0.10 -0.25 0.02 0.00 0.00 175.26 175.97 3krv n ASP 113 N 2.01 0.50 -4.95 -0.19 8.00 -1.26 -4.97 116.55 115.68 3krv n ASP 113 Ca -0.16 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.10 3krv n ASP 113 Cb 0.52 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 3krv n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3krv s ALA 114 N -2.54 3.75 0.22 2.24 0.00 -1.26 -4.79 121.76 119.38 3krv s ALA 114 Ca -0.09 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 3krv s ALA 114 Cb 0.06 -2.13 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 3krv s ALA 114 CO 0.75 -0.27 1.72 0.12 0.00 0.00 0.00 175.76 178.08 3krv s PHE 115 N -2.49 2.89 -0.10 0.00 5.36 -1.26 -5.01 117.98 117.37 3krv s PHE 115 Ca 0.46 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 56.84 3krv s PHE 115 Cb -0.10 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 3krv s PHE 115 CO 0.37 -4.29 -0.22 -1.01 -1.46 0.00 0.00 175.22 168.61 3krv s HIS 116 N 1.09 2.41 0.41 10.12 3.76 -1.26 -5.02 115.29 126.80 3krv s HIS 116 Ca 0.74 -0.98 0.08 0.00 -0.15 0.00 0.00 55.06 54.74 3krv s HIS 116 Cb -0.50 -1.62 0.87 0.00 1.11 0.00 0.00 32.58 32.44 3krv s HIS 116 CO 0.33 -0.40 2.06 0.74 -0.85 0.00 0.00 174.74 176.62 3krv h PHE 117 N 6.75 0.51 -2.05 1.40 0.04 -2.01 -3.13 116.94 118.45 3krv h PHE 117 Ca -0.21 0.01 -0.75 0.00 2.80 0.00 0.00 57.97 59.82 3krv h PHE 117 Cb 1.23 -0.17 -0.29 0.00 2.20 0.00 0.00 35.95 38.92 3krv h PHE 117 CO 0.47 0.31 0.78 0.39 -0.60 0.00 0.00 178.31 179.67 3krv n GLU 118 N -4.48 3.71 -1.51 1.51 1.02 -1.26 -5.00 120.64 114.65 3krv n GLU 118 Ca 0.03 -4.07 -0.33 0.00 -0.02 0.00 0.00 57.16 52.78 3krv n GLU 118 Cb 0.08 -2.33 0.08 0.00 -0.02 0.00 0.00 31.44 29.24 3krv n GLU 118 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3krv s PHE 119 N -4.07 2.29 -0.03 -0.32 -0.12 -1.19 -4.88 117.98 109.66 3krv s PHE 119 Ca 0.47 1.59 -0.30 0.00 -0.05 0.00 0.00 56.93 58.65 3krv s PHE 119 Cb 0.35 -3.31 -0.06 0.00 -0.63 0.00 0.00 43.02 39.37 3krv s PHE 119 CO -0.29 -2.18 1.64 0.42 -0.05 0.00 0.00 175.22 174.76 3krv s ILE 120 N -2.24 3.50 0.38 -4.49 -1.09 -1.26 -4.81 121.20 111.19 3krv s ILE 120 Ca 0.70 0.69 0.05 0.00 -2.23 0.00 0.00 60.65 59.86 3krv s ILE 120 Cb -0.24 -3.45 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 3krv s ILE 120 CO 0.45 -0.05 0.04 0.72 -1.23 0.00 0.00 174.94 174.87 3krv s PHE 121 N 3.72 2.19 -0.34 3.97 -0.12 -1.24 -4.74 117.98 121.41 3krv s PHE 121 Ca 0.73 -0.85 -0.18 0.00 -0.05 0.00 0.00 56.93 56.58 3krv s PHE 121 Cb -0.34 -1.51 -0.00 0.00 -0.63 0.00 0.00 43.02 40.53 3krv s PHE 121 CO 0.30 0.20 0.52 0.08 -0.05 0.00 0.00 175.22 176.27 3krv s VAL 122 N -3.02 5.01 0.71 -2.49 1.01 -0.11 -0.12 120.40 121.41 3krv s VAL 122 Ca 0.34 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 3krv s VAL 122 Cb 0.09 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3krv s VAL 122 CO 0.16 -0.20 1.07 0.00 0.00 0.00 0.00 175.10 176.13 3krv s ALA 123 N 2.40 2.52 0.20 5.51 0.00 0.56 -4.73 121.76 128.21 3krv s ALA 123 Ca 0.19 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 3krv s ALA 123 Cb -0.15 -3.22 0.20 0.00 0.00 0.00 0.00 23.12 19.94 3krv s ALA 123 CO 0.13 -1.40 1.63 1.49 0.00 0.00 0.00 175.76 177.62 3krv h GLU 124 N -0.74 -0.01 -0.41 0.00 4.81 -1.94 0.11 114.58 116.39 3krv h GLU 124 Ca -0.44 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3krv h GLU 124 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3krv h GLU 124 CO 0.55 -0.01 0.18 0.38 -0.73 0.00 0.00 179.01 179.38 3krv h ASP 125 N -0.01 0.51 -0.20 1.04 -0.00 -1.92 0.23 116.42 116.06 3krv h ASP 125 Ca 0.27 -0.05 -0.21 0.00 -0.00 0.00 0.00 57.03 57.05 3krv h ASP 125 Cb 0.43 -0.13 0.01 0.00 -0.00 0.00 0.00 39.33 39.64 3krv h ASP 125 CO -0.60 0.45 -0.70 0.00 -0.00 0.00 0.00 179.24 178.40 3krv h ALA 126 N 1.63 0.36 -0.22 4.15 0.00 -1.59 -2.52 119.26 121.07 3krv h ALA 126 Ca 0.14 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3krv h ALA 126 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3krv h ALA 126 CO -0.02 0.68 0.03 0.00 0.00 0.00 0.00 179.25 179.95 3krv h ALA 127 N 0.59 0.22 -0.66 0.00 0.00 0.11 -1.77 119.26 117.75 3krv h ALA 127 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3krv h ALA 127 Cb 1.33 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3krv h ALA 127 CO 0.15 -0.39 0.27 0.00 0.00 0.00 0.00 179.25 179.27 3krv h ARG 128 N 0.12 0.97 -0.24 0.00 3.08 -0.60 0.40 114.38 118.11 3krv h ARG 128 Ca 0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3krv h ARG 128 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3krv h ARG 128 CO -0.14 0.79 0.15 -0.92 -1.07 0.00 0.00 179.97 178.77 3krv h TYR 129 N 0.95 0.31 -0.27 3.04 3.20 -1.32 0.93 116.97 123.81 3krv h TYR 129 Ca 0.22 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3krv h TYR 129 Cb 0.18 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3krv h TYR 129 CO 0.01 0.23 0.03 -0.07 -1.64 0.00 0.00 178.16 176.72 3krv h LEU 130 N 0.30 0.45 -0.21 2.82 3.38 -0.67 -1.30 115.31 120.08 3krv h LEU 130 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3krv h LEU 130 Cb 0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3krv h LEU 130 CO -0.02 0.61 -0.09 0.00 0.09 0.00 0.00 178.44 179.04 3krv h ALA 131 N 0.85 0.10 0.00 1.53 0.00 -0.16 -2.15 119.26 119.44 3krv h ALA 131 Ca 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3krv h ALA 131 Cb 0.36 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3krv h ALA 131 CO 0.01 -0.51 -0.15 -0.44 0.00 0.00 0.00 179.25 178.16 3krv h ASP 132 N -0.05 0.00 0.92 0.00 3.32 -0.72 -1.58 116.42 118.31 3krv h ASP 132 Ca 0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3krv h ASP 132 Cb 0.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3krv h ASP 132 CO -0.25 0.15 -0.53 0.50 -1.72 0.00 0.00 179.24 177.39 3krv h LYS 133 N 0.00 0.00 -2.06 3.56 1.63 -0.71 -3.47 116.57 115.52 3krv h LYS 133 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3krv h LYS 133 Cb 0.56 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.22 3krv h LYS 133 CO 0.02 0.53 -0.14 1.04 -3.45 0.00 0.00 179.45 177.46 3krv n GLN 134 N -3.52 -1.54 -0.61 1.90 6.02 -0.59 -3.90 117.38 115.13 3krv n GLN 134 Ca -0.00 0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.86 3krv n GLN 134 Cb 0.63 -3.17 0.21 0.00 1.02 0.00 0.00 30.24 28.93 3krv n GLN 134 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3krv s ILE 135 N -3.06 2.05 -0.64 5.09 -4.36 -1.22 -1.63 121.20 117.42 3krv s ILE 135 Ca 0.10 0.02 0.18 0.00 -0.26 0.00 0.00 60.65 60.68 3krv s ILE 135 Cb -0.04 -2.05 -0.21 0.00 1.25 0.00 0.00 42.46 41.40 3krv s ILE 135 CO 0.14 -0.02 0.67 0.54 0.24 0.00 0.00 174.94 176.51 3krv n ARG 136 N -4.60 1.04 -3.56 0.37 5.12 0.77 -4.56 116.66 111.24 3krv n ARG 136 Ca 0.07 -0.04 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 3krv n ARG 136 Cb 0.53 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.45 3krv n ARG 136 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3krv s GLY 137 N -2.99 -0.31 -0.04 -0.13 0.00 -1.12 -2.75 107.32 99.97 3krv s GLY 137 Ca 0.04 1.63 -0.02 0.00 0.00 0.00 0.00 44.72 46.37 3krv s GLY 137 CO 0.73 0.66 0.08 0.54 0.00 0.00 0.00 173.10 175.11 3krv s VAL 138 N -2.14 -0.04 0.03 1.40 0.11 -0.59 -1.07 120.40 118.10 3krv s VAL 138 Ca 0.04 0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 3krv s VAL 138 Cb -0.01 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 3krv s VAL 138 CO -0.04 0.06 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.76 3krv s GLY 139 N 0.77 1.54 0.17 6.54 0.00 0.10 -1.15 107.32 115.29 3krv s GLY 139 Ca -0.06 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.54 3krv s GLY 139 CO -0.03 -1.06 -0.11 -1.50 0.00 0.00 0.00 173.10 170.40 3krv s ILE 140 N -0.89 1.40 -0.25 0.90 1.10 -0.71 -0.96 121.20 121.80 3krv s ILE 140 Ca 0.14 -2.12 0.13 0.00 -0.51 0.00 0.00 60.65 58.28 3krv s ILE 140 Cb -0.10 -1.95 0.58 0.00 0.15 0.00 0.00 42.46 41.13 3krv s ILE 140 CO 0.04 -0.66 1.54 -0.90 -2.11 0.00 0.00 174.94 172.85 3krv n ASP 141 N -0.28 3.72 -4.63 4.50 5.68 -1.25 -2.20 116.55 122.07 3krv n ASP 141 Ca -0.09 -3.29 -0.25 0.00 -0.50 0.00 0.00 54.79 50.66 3krv n ASP 141 Cb 0.61 -0.62 -0.09 0.00 -1.14 0.00 0.00 41.12 39.88 3krv n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krv s ALA 142 N -3.00 3.22 -0.18 2.12 0.00 -1.26 -4.37 121.76 118.28 3krv s ALA 142 Ca 0.46 -1.98 0.29 0.00 0.00 0.00 0.00 51.96 50.73 3krv s ALA 142 Cb 0.39 -0.35 1.19 0.00 0.00 0.00 0.00 23.12 24.35 3krv s ALA 142 CO 0.07 0.05 1.85 -0.07 0.00 0.00 0.00 175.76 177.67 3krv h LEU 143 N 1.79 0.00 -8.32 0.00 3.38 -1.91 0.12 115.31 110.36 3krv h LEU 143 Ca -0.43 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.16 3krv h LEU 143 Cb 1.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.78 3krv h LEU 143 CO 0.67 0.00 -0.77 -0.83 0.09 0.00 0.00 178.44 177.60 3krv s GLY 144 N -3.86 0.75 0.00 0.83 0.00 -1.26 -4.49 107.32 99.29 3krv s GLY 144 Ca 0.03 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.12 3krv s GLY 144 CO 0.46 -0.90 1.49 4.51 0.00 0.00 0.00 173.10 178.66 3krv n ILE 145 N 1.50 0.00 -3.88 0.90 3.06 -1.26 -4.86 119.36 114.83 3krv n ILE 145 Ca -0.21 -0.05 -0.11 0.00 -2.50 0.00 0.00 62.75 59.88 3krv n ILE 145 Cb 0.54 0.29 -0.12 0.00 0.54 0.00 0.00 39.64 40.89 3krv n ILE 145 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 3krv s GLU 146 N -2.80 0.20 0.31 9.51 2.12 -1.26 -0.93 118.70 125.85 3krv s GLU 146 Ca 0.16 -0.12 -0.09 0.00 0.36 0.00 0.00 54.97 55.29 3krv s GLU 146 Cb 0.18 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.66 3krv s GLU 146 CO 0.63 -0.04 0.52 -0.98 -0.54 0.00 0.00 175.26 174.85 3krv s ARG 147 N -0.50 1.80 -1.51 4.30 1.70 -1.26 -4.99 118.95 118.48 3krv s ARG 147 Ca -0.06 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.71 3krv s ARG 147 Cb -0.04 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3krv s ARG 147 CO 0.00 -0.76 0.00 0.00 -1.08 0.00 0.00 175.30 173.46 3krv n ALA 148 N -0.48 -0.67 -3.51 7.88 0.00 -1.26 -4.94 120.51 117.53 3krv n ALA 148 Ca -0.01 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 3krv n ALA 148 Cb 0.61 -1.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 3krv n ALA 148 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3krv s GLN 149 N -4.98 0.29 0.13 0.00 -0.21 -1.26 -5.13 119.66 108.50 3krv s GLN 149 Ca 0.00 -0.74 -0.35 0.00 0.02 0.00 0.00 55.36 54.29 3krv s GLN 149 Cb 0.00 -1.19 -0.16 0.00 1.00 0.00 0.00 33.01 32.66 3krv s GLN 149 CO 0.00 -1.07 1.29 0.39 -2.12 0.00 0.00 175.29 173.78 3krv n GLU 150 N 4.91 1.26 -0.81 2.91 1.02 -1.26 -2.18 120.64 126.48 3krv n GLU 150 Ca -0.01 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3krv n GLU 150 Cb 0.41 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3krv n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krv n GLY 151 N 2.37 0.68 3.74 0.62 0.00 -1.26 -4.40 105.19 106.94 3krv n GLY 151 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3krv n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krv n HIS 152 N -2.59 -1.87 0.19 1.61 8.25 -0.93 -4.88 115.22 115.01 3krv n HIS 152 Ca 0.00 0.81 0.05 0.00 -0.26 0.00 0.00 57.72 58.32 3krv n HIS 152 Cb 0.00 -4.24 0.52 0.00 1.12 0.00 0.00 29.99 27.39 3krv n HIS 152 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3krv h PRO 153 N -1.85 0.10 -0.22 -0.41 0.13 -1.77 -2.26 132.00 125.72 3krv h PRO 153 Ca -0.62 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.49 3krv h PRO 153 Cb 1.36 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3krv h PRO 153 CO 0.57 0.18 0.09 1.15 -0.23 0.00 0.00 178.00 179.76 3krv h THR 154 N 0.10 1.16 -0.24 1.56 2.02 -1.90 -1.33 112.91 114.29 3krv h THR 154 Ca 0.02 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3krv h THR 154 Cb 0.19 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3krv h THR 154 CO 0.01 0.15 0.10 0.45 0.37 0.00 0.00 175.52 176.61 3krv h HIS 155 N 0.21 0.35 -0.48 3.16 3.86 -1.88 -2.56 115.15 117.81 3krv h HIS 155 Ca 0.07 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 3krv h HIS 155 Cb 0.16 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3krv h HIS 155 CO -0.02 0.36 -0.16 0.87 0.86 0.00 0.00 177.93 179.85 3krv h LYS 156 N 0.24 0.93 -0.54 2.45 1.57 -1.34 0.11 116.57 119.98 3krv h LYS 156 Ca 0.08 -0.36 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 3krv h LYS 156 Cb 0.15 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3krv h LYS 156 CO -0.01 1.02 -0.13 0.00 -0.57 0.00 0.00 179.45 179.76 3krv h THR 157 N 0.82 1.27 -0.38 -0.16 1.03 -1.24 -1.01 112.91 113.23 3krv h THR 157 Ca 0.12 -1.29 -0.08 0.00 -0.01 0.00 0.00 66.41 65.15 3krv h THR 157 Cb 0.71 0.98 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 3krv h THR 157 CO 0.05 0.46 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.90 3krv h LEU 158 N 0.92 0.71 -0.56 0.00 3.38 -1.20 -2.66 115.31 115.90 3krv h LEU 158 Ca 0.14 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3krv h LEU 158 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3krv h LEU 158 CO 0.05 0.88 0.01 -0.26 0.09 0.00 0.00 178.44 179.22 3krv h PHE 159 N 0.53 1.07 -0.69 1.13 0.04 -0.70 -1.60 116.94 116.71 3krv h PHE 159 Ca 0.10 -0.18 0.15 0.00 2.80 0.00 0.00 57.97 60.84 3krv h PHE 159 Cb 0.55 -0.28 -0.11 0.00 2.20 0.00 0.00 35.95 38.31 3krv h PHE 159 CO 0.04 0.96 0.11 1.03 -0.60 0.00 0.00 178.31 179.86 3krv h SER 160 N 0.87 -0.09 0.29 2.17 0.87 -1.07 -0.17 113.55 116.42 3krv h SER 160 Ca 0.16 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3krv h SER 160 Cb 0.53 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3krv h SER 160 CO 0.03 -0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.26 3krv n ALA 161 N -2.71 2.29 -0.85 6.23 0.00 -1.00 -4.89 120.51 119.58 3krv n ALA 161 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3krv n ALA 161 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3krv n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krv n GLY 162 N 0.68 0.51 3.71 0.00 0.00 -0.08 -4.99 105.19 105.03 3krv n GLY 162 Ca 0.14 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3krv n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krv s VAL 163 N -2.00 4.45 0.19 1.61 1.01 -0.64 -4.89 120.40 120.13 3krv s VAL 163 Ca 0.00 1.76 -0.24 0.00 0.00 0.00 0.00 61.98 63.50 3krv s VAL 163 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3krv s VAL 163 CO 0.00 0.11 0.78 -0.63 0.00 0.00 0.00 175.10 175.36 3krv s ILE 164 N 1.27 4.39 -0.09 2.22 1.01 -1.11 -4.37 121.20 124.52 3krv s ILE 164 Ca 0.55 1.64 0.03 0.00 0.00 0.00 0.00 60.65 62.87 3krv s ILE 164 Cb -0.25 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3krv s ILE 164 CO 0.27 0.45 -0.17 -0.63 0.00 0.00 0.00 174.94 174.85 3krv s ILE 165 N -1.24 2.74 -0.16 2.92 1.01 -0.12 -1.55 121.20 124.79 3krv s ILE 165 Ca 0.38 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3krv s ILE 165 Cb -0.22 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3krv s ILE 165 CO 0.25 0.56 -0.03 -0.63 0.00 0.00 0.00 174.94 175.09 3krv s ILE 166 N -0.06 3.99 0.22 2.92 1.01 -0.30 -0.05 121.20 128.93 3krv s ILE 166 Ca -0.04 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.39 3krv s ILE 166 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3krv s ILE 166 CO 0.04 0.49 -0.16 -1.61 0.00 0.00 0.00 174.94 173.70 3krv s GLU 167 N 0.32 1.80 -0.71 2.79 2.02 0.02 -1.73 118.70 123.21 3krv s GLU 167 Ca -0.03 -1.50 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 3krv s GLU 167 Cb -0.14 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3krv s GLU 167 CO 0.03 0.39 0.40 0.41 0.02 0.00 0.00 175.26 176.51 3krv n GLY 168 N -0.14 0.16 3.85 -1.39 0.00 0.40 -1.45 105.19 106.62 3krv n GLY 168 Ca -0.10 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3krv n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krv s LEU 169 N -3.68 2.99 -0.40 0.99 1.43 -0.94 -3.83 118.68 115.24 3krv s LEU 169 Ca 0.20 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3krv s LEU 169 Cb -0.09 -4.21 0.12 0.00 0.03 0.00 0.00 46.19 42.05 3krv s LEU 169 CO 0.25 -1.35 0.18 -0.13 0.23 0.00 0.00 176.35 175.53 3krv s ARG 170 N -5.20 1.18 0.00 1.70 1.81 -0.26 -4.45 118.95 113.74 3krv s ARG 170 Ca 0.58 -1.77 0.14 0.00 -1.72 0.00 0.00 55.73 52.96 3krv s ARG 170 Cb -0.12 -2.38 0.37 0.00 -0.45 0.00 0.00 34.95 32.37 3krv s ARG 170 CO 0.54 -1.09 1.29 1.28 -0.68 0.00 0.00 175.30 176.64 3krv n LEU 171 N 3.95 3.10 -0.25 2.53 4.77 -1.26 -4.48 117.00 125.35 3krv n LEU 171 Ca 0.05 -1.85 0.05 0.00 -0.03 0.00 0.00 56.01 54.23 3krv n LEU 171 Cb 0.37 -0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.36 3krv n LEU 171 CO 0.21 0.75 0.86 0.50 -1.33 0.00 0.00 177.39 178.38 3krv h LYS 172 N 2.76 0.14 -0.71 3.23 3.64 -1.94 -2.20 116.57 121.50 3krv h LYS 172 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3krv h LYS 172 Cb 0.78 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3krv h LYS 172 CO 0.00 0.10 0.08 -0.25 -2.27 0.00 0.00 179.45 177.10 3krv n ASP 173 N -5.28 4.74 -4.25 4.20 8.00 -1.26 -4.90 116.55 117.79 3krv n ASP 173 Ca 0.14 -2.85 -0.34 0.00 0.71 0.00 0.00 54.79 52.44 3krv n ASP 173 Cb 0.47 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 3krv n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3krv s VAL 174 N -2.49 2.97 0.37 2.53 1.01 -0.83 -5.09 120.40 118.86 3krv s VAL 174 Ca 0.45 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3krv s VAL 174 Cb 0.35 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 3krv s VAL 174 CO 0.13 0.45 1.24 -2.84 0.00 0.00 0.00 175.10 174.08 3krv s PRO 175 N 1.42 4.16 0.14 2.72 0.02 -1.26 -4.97 135.00 137.22 3krv s PRO 175 Ca 0.05 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 3krv s PRO 175 Cb -0.14 -2.85 -0.16 0.00 0.02 0.00 0.00 34.50 31.37 3krv s PRO 175 CO -0.06 -0.29 0.58 -1.91 -0.33 0.00 0.00 177.00 174.99 3krv n GLU 176 N 0.38 0.00 -2.16 5.54 2.13 -1.26 -4.87 120.64 120.40 3krv n GLU 176 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3krv n GLU 176 Cb 0.44 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.15 3krv n GLU 176 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krv n GLY 177 N 1.69 -0.43 3.86 8.31 0.00 -0.74 -5.01 105.19 112.86 3krv n GLY 177 Ca 0.17 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 3krv n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krv s ARG 178 N -1.92 3.73 0.10 1.61 0.52 -1.26 -1.33 118.95 120.40 3krv s ARG 178 Ca 0.00 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 3krv s ARG 178 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 3krv s ARG 178 CO 0.00 0.70 -0.08 0.71 0.02 0.00 0.00 175.30 176.65 3krv s TYR 179 N -1.13 0.95 -0.25 -0.53 2.02 -0.85 -3.80 117.35 113.76 3krv s TYR 179 Ca 0.23 -0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 3krv s TYR 179 Cb -0.15 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3krv s TYR 179 CO 0.12 -0.09 0.53 0.12 -1.57 0.00 0.00 175.55 174.66 3krv s PHE 180 N -3.17 3.29 -0.09 2.71 5.36 -0.41 -0.47 117.98 125.20 3krv s PHE 180 Ca 0.09 0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 56.72 3krv s PHE 180 Cb 0.02 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 3krv s PHE 180 CO -0.03 -0.25 0.04 1.41 -1.46 0.00 0.00 175.22 174.94 3krv s MET 181 N 2.18 3.09 -0.29 10.12 -2.45 0.79 -0.38 119.30 132.36 3krv s MET 181 Ca 0.22 -0.35 0.03 0.00 -1.25 0.00 0.00 55.69 54.35 3krv s MET 181 Cb -0.16 -2.89 0.08 0.00 1.25 0.00 0.00 34.83 33.11 3krv s MET 181 CO 0.09 0.72 -0.02 0.08 1.05 0.00 0.00 175.02 176.93 3krv s VAL 182 N -0.94 2.04 -0.46 10.11 1.01 -0.25 -0.97 120.40 130.93 3krv s VAL 182 Ca 0.14 -1.85 -0.08 0.00 0.00 0.00 0.00 61.98 60.20 3krv s VAL 182 Cb -0.12 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.05 3krv s VAL 182 CO 0.03 -0.31 0.32 0.00 0.00 0.00 0.00 175.10 175.14 3krv s ALA 183 N 1.10 3.35 -0.52 5.51 0.00 -0.10 -0.96 121.76 130.14 3krv s ALA 183 Ca 0.01 -2.56 -0.06 0.00 0.00 0.00 0.00 51.96 49.35 3krv s ALA 183 Cb -0.19 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 20.33 3krv s ALA 183 CO -0.08 -1.89 0.36 0.00 0.00 0.00 0.00 175.76 174.15 3krv s ALA 184 N 1.28 3.42 0.51 0.00 0.00 -0.33 -4.73 121.76 121.91 3krv s ALA 184 Ca 0.07 -2.78 -0.18 0.00 0.00 0.00 0.00 51.96 49.07 3krv s ALA 184 Cb -0.25 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 3krv s ALA 184 CO -0.02 -1.95 0.99 -1.25 0.00 0.00 0.00 175.76 173.54 3krv s PRO 185 N 0.84 3.89 -0.20 0.00 0.04 -1.26 -2.11 135.00 136.20 3krv s PRO 185 Ca 0.10 1.06 -0.39 0.00 0.04 0.00 0.00 61.00 61.81 3krv s PRO 185 Cb -0.22 -2.12 -0.16 0.00 0.04 0.00 0.00 34.50 32.03 3krv s PRO 185 CO -0.03 -0.32 1.66 -0.11 0.04 0.00 0.00 177.00 178.24 3krv n LEU 186 N -1.41 2.25 -2.63 -3.56 7.94 0.01 -4.81 117.00 114.78 3krv n LEU 186 Ca 0.07 1.08 -0.17 0.00 -1.11 0.00 0.00 56.01 55.89 3krv n LEU 186 Cb 0.54 -1.15 -0.07 0.00 0.53 0.00 0.00 43.42 43.26 3krv n LEU 186 CO 0.44 -0.56 1.90 1.17 -1.11 0.00 0.00 177.39 179.24 3krv n LYS 187 N 4.79 1.92 -2.79 1.96 4.81 -1.26 -4.85 118.16 122.74 3krv n LYS 187 Ca 0.25 -1.13 -0.42 0.00 -0.87 0.00 0.00 58.31 56.13 3krv n LYS 187 Cb 0.14 -2.16 -0.03 0.00 0.02 0.00 0.00 35.03 33.00 3krv n LYS 187 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3krv s LEU 188 N 0.05 4.02 0.35 3.14 2.96 -1.26 -5.02 118.68 122.92 3krv s LEU 188 Ca 0.47 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 3krv s LEU 188 Cb 0.18 -3.32 -0.11 0.00 0.50 0.00 0.00 46.19 43.44 3krv s LEU 188 CO -0.02 -0.74 1.54 0.52 -1.32 0.00 0.00 176.35 176.33 3krv n VAL 189 N 5.67 1.63 0.00 1.68 0.31 -1.26 -3.59 118.33 122.78 3krv n VAL 189 Ca 0.08 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3krv n VAL 189 Cb 0.47 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3krv n VAL 189 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3krv n GLY 190 N 1.08 2.93 3.83 2.92 0.00 -0.35 -5.01 105.19 110.59 3krv n GLY 190 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3krv n GLY 190 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3krv s THR 191 N -1.86 4.90 -2.49 2.61 -1.32 -1.24 -4.91 115.64 111.34 3krv s THR 191 Ca 0.00 0.93 0.24 0.00 -1.21 0.00 0.00 61.69 61.65 3krv s THR 191 Cb 0.00 -3.77 0.45 0.00 -1.51 0.00 0.00 72.50 67.67 3krv s THR 191 CO 0.00 0.46 1.57 -0.90 -2.21 0.00 0.00 174.62 173.54 3krv n ASP 192 N 1.45 1.98 -3.93 8.08 5.68 -1.26 -4.44 116.55 124.11 3krv n ASP 192 Ca -0.10 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.33 3krv n ASP 192 Cb 0.52 -0.06 -0.15 0.00 -1.14 0.00 0.00 41.12 40.29 3krv n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3krv s ALA 193 N -1.88 0.40 -0.10 2.12 0.00 -1.26 -0.39 121.76 120.65 3krv s ALA 193 Ca 0.35 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.93 3krv s ALA 193 Cb 0.20 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.22 3krv s ALA 193 CO 0.30 0.07 0.56 0.00 0.00 0.00 0.00 175.76 176.69 3krv s ALA 194 N 0.12 -1.42 0.70 0.00 0.00 -0.64 -4.89 121.76 115.61 3krv s ALA 194 Ca -0.01 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 3krv s ALA 194 Cb -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3krv s ALA 194 CO -0.00 -0.31 1.21 -2.14 0.00 0.00 0.00 175.76 174.51 3krv s PRO 195 N -0.70 2.35 0.04 0.00 0.02 -1.13 -0.78 135.00 134.81 3krv s PRO 195 Ca -0.08 1.77 -0.04 0.00 0.02 0.00 0.00 61.00 62.67 3krv s PRO 195 Cb -0.03 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 3krv s PRO 195 CO 0.05 -1.67 0.06 0.00 -0.33 0.00 0.00 177.00 175.11 3krv s ALA 196 N -1.90 0.05 -0.24 -1.55 0.00 -0.32 -0.81 121.76 116.99 3krv s ALA 196 Ca 0.75 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 3krv s ALA 196 Cb -0.29 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3krv s ALA 196 CO 0.43 -0.30 0.01 0.50 0.00 0.00 0.00 175.76 176.40 3krv s ARG 197 N -2.59 3.48 -0.18 0.00 6.06 -0.90 -4.69 118.95 120.13 3krv s ARG 197 Ca -0.05 -0.57 -0.02 0.00 -2.50 0.00 0.00 55.73 52.58 3krv s ARG 197 Cb -0.01 -3.16 -0.01 0.00 0.06 0.00 0.00 34.95 31.82 3krv s ARG 197 CO -0.05 -0.21 -0.08 0.08 -2.50 0.00 0.00 175.30 172.54 3krv s VAL 198 N 1.54 3.26 0.01 7.11 1.01 -1.26 -1.18 120.40 130.89 3krv s VAL 198 Ca 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3krv s VAL 198 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3krv s VAL 198 CO -0.00 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 3krv s LEU 199 N 0.91 2.11 -0.09 3.92 1.43 -0.13 -2.28 118.68 124.54 3krv s LEU 199 Ca -0.02 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3krv s LEU 199 Cb -0.15 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 3krv s LEU 199 CO 0.00 0.22 -0.18 -0.76 0.23 0.00 0.00 176.35 175.87 3krv s LEU 200 N -0.85 2.47 -0.08 1.79 1.43 -0.50 -1.09 118.68 121.85 3krv s LEU 200 Ca 0.08 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3krv s LEU 200 Cb -0.09 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3krv s LEU 200 CO 0.01 0.23 -0.12 -0.36 0.23 0.00 0.00 176.35 176.34 3krv s PHE 201 N -0.06 2.80 0.22 0.29 0.08 0.49 0.45 117.98 122.25 3krv s PHE 201 Ca -0.04 -0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 3krv s PHE 201 Cb -0.14 -1.72 -0.17 0.00 -0.57 0.00 0.00 43.02 40.42 3krv s PHE 201 CO 0.04 0.12 0.55 -0.25 -0.10 0.00 0.00 175.22 175.58 3krv n ASP 202 N 2.64 -1.08 0.00 1.36 8.00 -0.30 -1.29 116.55 125.88 3krv n ASP 202 Ca -0.18 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.44 3krv n ASP 202 Cb 0.52 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3krv n ASP 202 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35