#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krs s ARG 3 N 0.00 4.46 0.04 4.33 0.52 -1.26 -4.97 118.95 122.07 3krs s ARG 3 Ca 0.00 2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 3krs s ARG 3 Cb 0.00 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 3krs s ARG 3 CO 0.00 -0.06 1.17 0.21 0.02 0.00 0.00 175.30 176.64 3krs s LYS 4 N -1.37 4.44 0.77 3.54 2.20 -1.26 -5.01 119.74 123.04 3krs s LYS 4 Ca 0.49 1.71 -0.11 0.00 -0.36 0.00 0.00 55.97 57.69 3krs s LYS 4 Cb -0.36 -3.39 0.06 0.00 -1.51 0.00 0.00 37.83 32.62 3krs s LYS 4 CO 0.46 -0.26 1.11 0.71 -0.36 0.00 0.00 175.35 177.01 3krs s TYR 5 N 1.22 2.42 -0.07 4.03 2.02 -1.26 -4.86 117.35 120.86 3krs s TYR 5 Ca 0.57 1.59 -0.01 0.00 -0.37 0.00 0.00 57.07 58.85 3krs s TYR 5 Cb -0.28 -3.13 0.03 0.00 -0.40 0.00 0.00 41.96 38.18 3krs s TYR 5 CO 0.28 -1.97 0.01 0.12 -1.57 0.00 0.00 175.55 172.42 3krs s PHE 6 N -2.72 0.60 -0.23 2.71 5.36 -0.62 -0.74 117.98 122.35 3krs s PHE 6 Ca 0.64 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 56.51 3krs s PHE 6 Cb -0.19 -0.75 0.05 0.00 -0.34 0.00 0.00 43.02 41.78 3krs s PHE 6 CO 0.53 -0.30 -0.13 0.08 -1.46 0.00 0.00 175.22 173.93 3krs s VAL 7 N 1.92 2.07 0.00 3.12 1.01 0.15 -1.56 120.40 127.11 3krs s VAL 7 Ca 0.04 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.69 3krs s VAL 7 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3krs s VAL 7 CO -0.05 0.15 -0.08 -0.83 0.00 0.00 0.00 175.10 174.29 3krs s GLY 8 N 1.19 1.72 -0.35 4.51 0.00 0.16 -1.37 107.32 113.17 3krs s GLY 8 Ca -0.04 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.69 3krs s GLY 8 CO -0.08 -0.89 0.07 -0.32 0.00 0.00 0.00 173.10 171.88 3krs s GLY 9 N -1.35 1.97 -0.54 0.20 0.00 0.38 -0.44 107.32 107.54 3krs s GLY 9 Ca 0.16 -2.59 -0.27 0.00 0.00 0.00 0.00 44.72 42.02 3krs s GLY 9 CO 0.07 0.95 1.09 0.21 0.00 0.00 0.00 173.10 175.42 3krs s ASN 10 N 0.85 6.47 0.40 1.64 2.47 0.33 -0.66 114.94 126.45 3krs s ASN 10 Ca 0.11 0.09 0.29 0.00 0.42 0.00 0.00 52.86 53.77 3krs s ASN 10 Cb -0.20 -2.52 1.18 0.00 -1.45 0.00 0.00 41.25 38.27 3krs s ASN 10 CO -0.07 -1.33 1.85 -0.26 -3.72 0.00 0.00 177.10 173.57 3krs h PHE 11 N 9.37 0.00 0.00 0.43 0.04 -1.70 -3.41 116.94 121.67 3krs h PHE 11 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3krs h PHE 11 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 3krs h PHE 11 CO 0.98 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 180.32 3krs n LYS 12 N -2.65 0.00 -2.68 1.51 5.02 -1.26 -3.37 118.16 114.73 3krs n LYS 12 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3krs n LYS 12 Cb 0.26 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.28 3krs n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krs s ASN 14 N 0.43 -0.02 0.00 0.00 0.01 -1.22 -5.15 114.94 109.00 3krs s ASN 14 Ca 0.37 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 3krs s ASN 14 Cb 0.05 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.99 3krs s ASN 14 CO 0.03 -0.51 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 3krs n GLY 15 N 0.92 3.92 3.48 0.66 0.00 -1.26 -4.73 105.19 108.19 3krs n GLY 15 Ca -0.20 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 3krs n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3krs s THR 16 N -1.37 1.52 0.19 2.61 -4.23 -1.26 -5.00 115.64 108.10 3krs s THR 16 Ca 0.00 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 3krs s THR 16 Cb 0.00 -2.74 0.11 0.00 1.34 0.00 0.00 72.50 71.21 3krs s THR 16 CO 0.00 -0.09 1.77 0.11 -0.54 0.00 0.00 174.62 175.87 3krs h LYS 17 N 2.08 0.44 -0.19 3.99 1.57 -2.01 -0.41 116.57 122.05 3krs h LYS 17 Ca -0.41 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3krs h LYS 17 Cb 1.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3krs h LYS 17 CO 0.72 0.29 -0.00 0.93 -0.57 0.00 0.00 179.45 180.81 3krs h GLU 18 N 0.46 0.34 -0.45 3.15 4.39 -1.99 -0.97 114.58 119.50 3krs h GLU 18 Ca 0.27 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 3krs h GLU 18 Cb 0.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3krs h GLU 18 CO -0.23 0.55 -0.23 0.66 -1.16 0.00 0.00 179.01 178.60 3krs h SER 19 N 0.09 0.94 -0.02 1.42 4.64 -1.90 -2.61 113.55 116.11 3krs h SER 19 Ca 0.05 -0.36 -0.13 0.00 -0.47 0.00 0.00 61.79 60.89 3krs h SER 19 Cb 0.40 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3krs h SER 19 CO 0.01 1.13 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.63 3krs h LEU 20 N 0.79 0.56 -0.42 5.97 3.38 -1.08 -1.11 115.31 123.40 3krs h LEU 20 Ca 0.10 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3krs h LEU 20 Cb 0.79 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3krs h LEU 20 CO 0.07 0.89 0.19 0.50 0.09 0.00 0.00 178.44 180.18 3krs h LYS 21 N 0.44 0.37 -0.45 1.13 3.64 -1.00 0.17 116.57 120.86 3krs h LYS 21 Ca 0.04 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3krs h LYS 21 Cb 0.88 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3krs h LYS 21 CO 0.08 0.25 0.13 1.15 -2.27 0.00 0.00 179.45 178.79 3krs h THR 22 N 0.39 1.23 -0.31 1.00 2.02 -1.29 -1.95 112.91 113.99 3krs h THR 22 Ca 0.18 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3krs h THR 22 Cb 0.12 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3krs h THR 22 CO -0.15 0.27 0.05 0.25 0.37 0.00 0.00 175.52 176.31 3krs h LEU 23 N 0.59 0.50 -0.89 2.58 5.85 -0.89 -2.72 115.31 120.34 3krs h LEU 23 Ca 0.14 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3krs h LEU 23 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3krs h LEU 23 CO -0.00 0.63 -0.28 0.40 -0.34 0.00 0.00 178.44 178.85 3krs h ILE 24 N 0.34 1.27 -0.94 4.05 1.08 -0.93 -1.16 117.51 121.23 3krs h ILE 24 Ca 0.09 -1.33 0.08 0.00 -0.39 0.00 0.00 64.86 63.31 3krs h ILE 24 Cb 0.35 1.39 -0.07 0.00 -3.07 0.00 0.00 36.82 35.42 3krs h ILE 24 CO 0.01 0.42 0.61 0.44 -0.69 0.00 0.00 178.15 178.94 3krs h ASP 25 N 0.43 0.92 -0.11 1.72 3.32 -1.22 -0.50 116.42 120.99 3krs h ASP 25 Ca 0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3krs h ASP 25 Cb 0.71 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3krs h ASP 25 CO 0.05 0.56 -0.05 0.77 -1.72 0.00 0.00 179.24 178.86 3krs h SER 26 N 1.03 0.23 -0.20 6.45 4.64 -1.00 -3.19 113.55 121.51 3krs h SER 26 Ca 0.42 -0.41 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3krs h SER 26 Cb 0.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3krs h SER 26 CO -0.18 0.58 0.14 -0.26 -0.87 0.00 0.00 176.83 176.24 3krs h PHE 27 N -0.13 0.09 0.00 4.77 0.04 -0.55 -0.45 116.94 120.71 3krs h PHE 27 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3krs h PHE 27 Cb 0.50 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3krs h PHE 27 CO 0.06 0.05 0.00 0.87 -0.60 0.00 0.00 178.31 178.70 3krs h LYS 28 N 0.09 0.00 0.00 1.51 1.57 -1.10 -1.91 116.57 116.74 3krs h LYS 28 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3krs h LYS 28 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3krs h LYS 28 CO -0.01 0.00 -0.04 1.04 -0.57 0.00 0.00 179.45 179.87 3krs n GLN 29 N -2.33 0.19 -2.30 3.15 1.13 -0.18 -4.62 117.38 112.43 3krs n GLN 29 Ca 0.01 0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 3krs n GLN 29 Cb 0.16 -1.71 -0.02 0.00 0.11 0.00 0.00 30.24 28.78 3krs n GLN 29 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3krs s VAL 30 N -3.08 4.02 0.03 5.09 1.01 -0.72 -4.90 120.40 121.85 3krs s VAL 30 Ca 0.11 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.23 3krs s VAL 30 Cb 0.14 -3.90 -0.29 0.00 0.00 0.00 0.00 36.38 32.33 3krs s VAL 30 CO 0.59 -0.25 0.98 -0.33 0.00 0.00 0.00 175.10 176.09 3krs h GLU 31 N 9.23 0.30 -2.80 2.72 5.08 -1.89 -3.43 114.58 123.79 3krs h GLU 31 Ca -0.30 -0.51 0.05 0.00 -1.00 0.00 0.00 59.36 57.60 3krs h GLU 31 Cb 1.12 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 3krs h GLU 31 CO 0.99 1.20 0.30 -1.54 -1.00 0.00 0.00 179.01 178.96 3krs s SER 32 N -7.13 -0.40 -0.27 1.42 1.04 -1.26 -4.84 113.70 102.26 3krs s SER 32 Ca -0.07 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 3krs s SER 32 Cb 0.06 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.84 3krs s SER 32 CO 0.88 -1.01 0.68 -0.55 0.98 0.00 0.00 173.24 174.22 3krs s SER 33 N -2.77 -0.83 0.00 7.02 0.15 -1.26 -5.01 113.70 110.99 3krs s SER 33 Ca 0.06 1.44 0.28 0.00 0.70 0.00 0.00 55.95 58.43 3krs s SER 33 Cb -0.02 1.38 1.43 0.00 -1.71 0.00 0.00 66.02 67.10 3krs s SER 33 CO -0.05 -0.24 1.98 0.59 1.20 0.00 0.00 173.24 176.72 3krs n ASN 34 N 3.61 0.00 -4.80 5.45 5.03 -1.26 -4.88 115.26 118.41 3krs n ASN 34 Ca -0.17 -0.12 -0.24 0.00 0.87 0.00 0.00 54.58 54.91 3krs n ASN 34 Cb 0.57 -0.28 -0.05 0.00 -1.02 0.00 0.00 39.78 39.00 3krs n ASN 34 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3krs s SER 35 N -2.57 5.47 0.35 6.41 0.15 -1.26 -4.60 113.70 117.65 3krs s SER 35 Ca 0.27 -0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 3krs s SER 35 Cb 0.19 -1.40 -0.09 0.00 -1.71 0.00 0.00 66.02 63.01 3krs s SER 35 CO 0.43 0.02 1.20 -1.61 1.20 0.00 0.00 173.24 174.48 3krs s GLU 36 N -3.44 4.28 -0.11 5.44 2.02 0.08 -4.94 118.70 122.05 3krs s GLU 36 Ca 0.32 1.96 -0.01 0.00 0.02 0.00 0.00 54.97 57.25 3krs s GLU 36 Cb -0.09 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.25 3krs s GLU 36 CO 0.24 -0.16 -0.03 0.08 0.02 0.00 0.00 175.26 175.41 3krs s VAL 37 N -1.27 0.68 0.02 2.63 1.01 -1.26 -0.67 120.40 121.54 3krs s VAL 37 Ca 0.52 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3krs s VAL 37 Cb -0.34 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3krs s VAL 37 CO 0.44 0.25 -0.20 -0.31 0.00 0.00 0.00 175.10 175.27 3krs s TYR 38 N 1.84 1.78 0.05 5.22 1.51 -0.47 -0.87 117.35 126.40 3krs s TYR 38 Ca 0.04 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 3krs s TYR 38 Cb -0.13 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3krs s TYR 38 CO -0.07 0.03 -0.16 0.14 -1.11 0.00 0.00 175.55 174.39 3krs s VAL 39 N -0.64 2.96 -0.55 0.71 -7.23 -0.28 -0.47 120.40 114.89 3krs s VAL 39 Ca 0.07 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3krs s VAL 39 Cb -0.08 -2.28 0.14 0.00 0.56 0.00 0.00 36.38 34.72 3krs s VAL 39 CO 0.01 0.30 0.32 -0.36 -0.31 0.00 0.00 175.10 175.05 3krs s PHE 40 N -0.99 2.99 0.97 2.82 0.08 0.17 -0.81 117.98 123.22 3krs s PHE 40 Ca 0.16 -3.05 -0.14 0.00 0.12 0.00 0.00 56.93 54.02 3krs s PHE 40 Cb -0.11 -2.54 0.18 0.00 -0.57 0.00 0.00 43.02 39.97 3krs s PHE 40 CO 0.07 -0.70 1.16 -2.14 -0.10 0.00 0.00 175.22 173.51 3krs s PRO 41 N -0.48 0.63 0.77 0.24 0.02 -1.25 -2.07 135.00 132.86 3krs s PRO 41 Ca 0.20 0.14 -0.12 0.00 0.02 0.00 0.00 61.00 61.23 3krs s PRO 41 Cb -0.19 -1.79 0.06 0.00 0.02 0.00 0.00 34.50 32.60 3krs s PRO 41 CO -0.05 -2.52 1.13 0.95 -0.33 0.00 0.00 177.00 176.18 3krs s THR 42 N -3.31 2.83 0.38 0.99 -4.23 -1.26 -4.31 115.64 106.73 3krs s THR 42 Ca 0.67 0.32 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 3krs s THR 42 Cb -0.12 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.31 3krs s THR 42 CO 0.54 -0.30 1.92 0.77 -0.54 0.00 0.00 174.62 177.01 3krs h SER 43 N -0.85 0.57 0.13 3.99 4.64 -1.96 -0.57 113.55 119.49 3krs h SER 43 Ca -0.45 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 3krs h SER 43 Cb 1.26 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3krs h SER 43 CO 0.49 0.32 -0.07 0.25 -0.87 0.00 0.00 176.83 176.96 3krs h LEU 44 N 0.62 0.00 -0.98 5.97 5.85 -2.03 -3.16 115.31 121.58 3krs h LEU 44 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3krs h LEU 44 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3krs h LEU 44 CO -0.14 0.07 -0.32 1.41 -0.34 0.00 0.00 178.44 179.12 3krs n HIS 45 N -4.04 0.00 0.06 1.25 8.25 -0.26 -4.68 115.22 115.79 3krs n HIS 45 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 3krs n HIS 45 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3krs n HIS 45 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3krs h ILE 46 N 2.04 0.84 -0.77 1.59 2.04 -1.41 0.39 117.51 122.23 3krs h ILE 46 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3krs h ILE 46 Cb 0.59 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3krs h ILE 46 CO 0.00 0.00 0.44 -1.28 0.00 0.00 0.00 178.15 177.31 3krs h SER 47 N -0.12 0.94 -0.54 1.72 0.87 -1.83 -1.75 113.55 112.83 3krs h SER 47 Ca 0.02 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3krs h SER 47 Cb 0.15 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3krs h SER 47 CO -0.05 0.74 0.22 0.25 -0.53 0.00 0.00 176.83 177.46 3krs h LEU 48 N 1.06 0.74 -0.62 2.23 5.85 -1.76 -0.87 115.31 121.93 3krs h LEU 48 Ca 0.27 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3krs h LEU 48 Cb -0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3krs h LEU 48 CO -0.05 0.70 -0.01 0.58 -0.34 0.00 0.00 178.44 179.32 3krs h VAL 49 N 0.73 1.27 -0.79 1.05 2.07 -0.66 0.86 116.25 120.77 3krs h VAL 49 Ca 0.18 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3krs h VAL 49 Cb 0.19 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3krs h VAL 49 CO -0.02 0.42 0.52 0.11 0.02 0.00 0.00 177.57 178.63 3krs h LYS 50 N 0.98 1.02 -0.62 1.57 1.57 -1.10 -1.62 116.57 118.37 3krs h LYS 50 Ca 0.17 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3krs h LYS 50 Cb 0.57 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3krs h LYS 50 CO 0.03 0.67 0.16 1.49 -0.57 0.00 0.00 179.45 181.23 3krs h GLU 51 N 1.05 0.99 -0.61 3.15 4.57 -0.50 -0.50 114.58 122.73 3krs h GLU 51 Ca 0.30 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3krs h GLU 51 Cb -0.09 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 3krs h GLU 51 CO -0.07 0.90 0.30 0.74 -1.18 0.00 0.00 179.01 179.69 3krs h PHE 52 N 0.90 0.88 -0.53 0.92 0.04 -0.46 -2.25 116.94 116.43 3krs h PHE 52 Ca 0.19 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 3krs h PHE 52 Cb 0.35 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3krs h PHE 52 CO 0.03 0.66 0.29 0.74 -0.60 0.00 0.00 178.31 179.42 3krs h PHE 53 N 0.83 0.74 0.00 -0.55 0.04 -1.14 -3.47 116.94 113.39 3krs h PHE 53 Ca 0.21 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3krs h PHE 53 Cb 0.11 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.03 3krs h PHE 53 CO -0.00 0.55 0.00 0.41 -0.60 0.00 0.00 178.31 178.67 3krs n GLY 54 N -1.01 2.13 0.30 -1.45 0.00 -0.21 -3.71 105.19 101.25 3krs n GLY 54 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3krs n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3krs n ASN 55 N -0.79 1.47 -3.24 1.61 3.02 -1.26 -4.78 115.26 111.29 3krs n ASN 55 Ca 0.00 -1.24 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 3krs n ASN 55 Cb 0.00 0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3krs n ASN 55 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3krs n ASP 56 N 0.09 7.49 -3.84 6.41 3.85 -1.24 -4.88 116.55 124.44 3krs n ASP 56 Ca 0.05 -3.36 -0.09 0.00 -0.71 0.00 0.00 54.79 50.68 3krs n ASP 56 Cb 0.23 -1.26 -0.07 0.00 -1.35 0.00 0.00 41.12 38.67 3krs n ASP 56 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 3krs s HIS 57 N -2.34 0.13 -1.20 2.11 -3.43 -1.26 -5.03 115.29 104.27 3krs s HIS 57 Ca 0.51 -0.54 0.15 0.00 -0.80 0.00 0.00 55.06 54.38 3krs s HIS 57 Cb 0.26 -0.02 0.68 0.00 -1.43 0.00 0.00 32.58 32.06 3krs s HIS 57 CO -0.17 -0.58 1.44 -2.30 -2.00 0.00 0.00 174.74 171.13 3krs n PRO 58 N -0.10 0.10 -1.68 -0.38 -0.02 -1.26 -4.88 135.00 126.79 3krs n PRO 58 Ca -0.14 0.20 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 3krs n PRO 58 Cb 0.63 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.60 3krs n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krs n GLY 59 N -0.02 0.42 0.11 -1.23 0.00 -1.26 -4.95 105.19 98.25 3krs n GLY 59 Ca 0.05 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3krs n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3krs h VAL 60 N 0.00 1.53 -3.29 1.61 2.07 -1.89 -3.46 116.25 112.81 3krs h VAL 60 Ca -0.10 -2.52 -0.57 0.00 0.82 0.00 0.00 66.70 64.33 3krs h VAL 60 Cb 0.74 3.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.67 3krs h VAL 60 CO 0.13 0.71 -0.03 -0.36 0.02 0.00 0.00 177.57 178.03 3krs s PHE 61 N -2.41 3.67 0.34 1.57 0.08 -1.26 -4.02 117.98 115.95 3krs s PHE 61 Ca -0.14 1.17 0.09 0.00 0.12 0.00 0.00 56.93 58.17 3krs s PHE 61 Cb 0.01 -2.59 -0.06 0.00 -0.57 0.00 0.00 43.02 39.81 3krs s PHE 61 CO 0.81 0.35 -0.02 0.15 -0.10 0.00 0.00 175.22 176.42 3krs s LYS 62 N -0.18 2.02 -0.11 0.44 1.02 -0.05 -5.02 119.74 117.86 3krs s LYS 62 Ca 0.30 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.50 3krs s LYS 62 Cb -0.18 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 3krs s LYS 62 CO 0.16 0.14 -0.07 0.42 -0.92 0.00 0.00 175.35 175.09 3krs s ILE 63 N -2.54 3.62 0.30 2.17 -1.09 -1.26 -1.13 121.20 121.28 3krs s ILE 63 Ca 0.34 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 3krs s ILE 63 Cb 0.00 -2.53 -0.06 0.00 -1.58 0.00 0.00 42.46 38.29 3krs s ILE 63 CO 0.19 0.54 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.60 3krs s GLY 64 N -0.14 1.91 0.16 6.18 0.00 0.01 -4.17 107.32 111.27 3krs s GLY 64 Ca 0.01 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 42.81 3krs s GLY 64 CO 0.03 -1.82 0.25 -1.35 0.00 0.00 0.00 173.10 170.20 3krs s SER 65 N -3.45 6.13 0.00 1.64 1.04 -0.11 -3.79 113.70 115.15 3krs s SER 65 Ca 0.32 0.09 0.28 0.00 0.48 0.00 0.00 55.95 57.11 3krs s SER 65 Cb 0.06 -1.79 1.00 0.00 0.10 0.00 0.00 66.02 65.40 3krs s SER 65 CO 0.13 0.05 1.76 0.00 0.98 0.00 0.00 173.24 176.16 3krs n GLN 66 N -0.54 0.02 -3.55 4.02 6.02 -1.26 -0.75 117.38 121.33 3krs n GLN 66 Ca -0.07 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.83 3krs n GLN 66 Cb 0.54 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3krs n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3krs s ASN 67 N -2.99 -0.30 0.05 1.08 2.47 -1.24 -4.48 114.94 109.54 3krs s ASN 67 Ca 0.13 0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.55 3krs s ASN 67 Cb 0.19 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 40.25 3krs s ASN 67 CO 0.58 -0.43 -0.09 0.27 -3.72 0.00 0.00 177.10 173.71 3krs s ILE 68 N -2.35 0.67 0.62 -5.21 -4.36 -1.26 -4.91 121.20 104.40 3krs s ILE 68 Ca 0.04 -1.16 -0.18 0.00 -0.26 0.00 0.00 60.65 59.10 3krs s ILE 68 Cb -0.01 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.94 3krs s ILE 68 CO -0.05 -0.37 1.20 -0.94 0.24 0.00 0.00 174.94 175.02 3krs s SER 69 N -1.67 5.01 0.52 4.36 1.04 -0.25 -4.93 113.70 117.78 3krs s SER 69 Ca -0.08 2.34 0.29 0.00 0.48 0.00 0.00 55.95 58.99 3krs s SER 69 Cb -0.09 -2.59 1.42 0.00 0.10 0.00 0.00 66.02 64.85 3krs s SER 69 CO 0.01 -1.71 2.04 0.00 0.98 0.00 0.00 173.24 174.55 3krs s THR 71 N -4.02 2.04 0.00 0.00 -4.23 -1.26 -4.88 115.64 103.30 3krs s THR 71 Ca -0.02 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3krs s THR 71 Cb 0.12 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3krs s THR 71 CO 0.57 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 3krs n GLY 72 N -0.83 -0.97 3.75 3.99 0.00 -1.26 -4.63 105.19 105.24 3krs n GLY 72 Ca -0.05 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3krs n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3krs s ASN 73 N -1.07 4.82 0.00 1.61 0.01 -1.26 -4.89 114.94 114.17 3krs s ASN 73 Ca 0.00 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 3krs s ASN 73 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3krs s ASN 73 CO 0.00 -1.83 0.00 0.61 -1.51 0.00 0.00 177.10 174.37 3krs n GLY 74 N -0.04 0.49 2.90 0.66 0.00 -1.26 -5.00 105.19 102.94 3krs n GLY 74 Ca 0.12 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3krs n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krs n ALA 75 N -0.77 5.23 -3.27 4.61 0.00 -1.26 -4.70 120.51 120.35 3krs n ALA 75 Ca 0.00 -4.13 -0.25 0.00 0.00 0.00 0.00 53.44 49.06 3krs n ALA 75 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 19.45 16.16 3krs n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3krs n PHE 76 N 5.04 1.40 -1.67 0.00 3.72 -1.26 -5.10 117.46 119.59 3krs n PHE 76 Ca 0.44 -3.82 -0.45 0.00 -0.05 0.00 0.00 57.45 53.57 3krs n PHE 76 Cb 0.38 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3krs n PHE 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3krs n THR 77 N 1.07 0.41 -0.26 4.37 -1.04 -1.26 -1.66 114.28 115.91 3krs n THR 77 Ca 0.25 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3krs n THR 77 Cb 0.48 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3krs n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3krs n GLY 78 N 2.87 1.32 3.87 3.41 0.00 -1.26 -5.05 105.19 110.34 3krs n GLY 78 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3krs n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krs s GLU 79 N -0.41 3.13 -0.08 1.61 0.41 -0.66 -5.11 118.70 117.58 3krs s GLU 79 Ca 0.00 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 53.77 3krs s GLU 79 Cb 0.00 -2.75 0.01 0.00 -1.78 0.00 0.00 34.13 29.61 3krs s GLU 79 CO 0.00 0.47 -0.13 0.08 -0.49 0.00 0.00 175.26 175.19 3krs s VAL 80 N -1.85 1.26 0.36 2.63 1.01 -1.26 -5.02 120.40 117.54 3krs s VAL 80 Ca 0.33 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3krs s VAL 80 Cb -0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3krs s VAL 80 CO 0.26 0.39 0.58 -0.94 0.00 0.00 0.00 175.10 175.39 3krs s SER 81 N 0.82 6.30 0.27 3.32 1.04 -1.26 -1.09 113.70 123.09 3krs s SER 81 Ca -0.11 0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 3krs s SER 81 Cb -0.15 -2.07 0.52 0.00 0.10 0.00 0.00 66.02 64.42 3krs s SER 81 CO 0.02 -0.33 1.79 0.00 0.98 0.00 0.00 173.24 175.70 3krs h GLU 83 N 0.75 1.25 -0.40 0.00 3.07 -1.94 -0.59 114.58 116.72 3krs h GLU 83 Ca 0.46 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 59.03 3krs h GLU 83 Cb 0.57 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3krs h GLU 83 CO -0.31 0.90 -0.34 0.52 -1.40 0.00 0.00 179.01 178.38 3krs h MET 84 N 1.26 0.93 -0.47 2.33 2.86 -1.79 -1.56 114.93 118.49 3krs h MET 84 Ca 0.32 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3krs h MET 84 Cb 0.01 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3krs h MET 84 CO -0.05 1.13 0.30 -0.07 1.06 0.00 0.00 176.91 179.28 3krs h LEU 85 N 0.75 0.55 -0.88 1.22 3.38 -0.84 -2.55 115.31 116.95 3krs h LEU 85 Ca 0.07 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3krs h LEU 85 Cb 0.93 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3krs h LEU 85 CO 0.09 0.42 0.58 0.50 0.09 0.00 0.00 178.44 180.12 3krs h LYS 86 N 0.63 1.13 -0.14 1.13 3.64 -0.94 -0.42 116.57 121.60 3krs h LYS 86 Ca 0.17 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3krs h LYS 86 Cb -0.05 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3krs h LYS 86 CO -0.03 0.75 0.11 0.22 -2.27 0.00 0.00 179.45 178.22 3krs h ASP 87 N 1.17 0.00 -0.51 4.20 3.58 -1.03 -0.67 116.42 123.16 3krs h ASP 87 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3krs h ASP 87 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3krs h ASP 87 CO -0.08 0.00 0.00 0.80 -2.88 0.00 0.00 179.24 177.08 3krs n MET 88 N -4.43 2.35 -3.43 0.28 1.56 -0.51 -4.93 117.12 108.00 3krs n MET 88 Ca 0.00 -1.91 -0.22 0.00 -0.27 0.00 0.00 57.70 55.30 3krs n MET 88 Cb 0.23 -1.46 0.07 0.00 2.15 0.00 0.00 33.22 34.21 3krs n MET 88 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3krs n ASP 89 N 0.98 -6.01 -4.51 6.12 10.43 -0.26 -5.00 116.55 118.30 3krs n ASP 89 Ca 0.18 -0.46 -0.35 0.00 2.57 0.00 0.00 54.79 56.73 3krs n ASP 89 Cb 0.48 -4.65 -0.12 0.00 1.84 0.00 0.00 41.12 38.67 3krs n ASP 89 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3krs s VAL 90 N -3.27 4.17 -0.13 2.53 1.01 -0.29 -4.93 120.40 119.49 3krs s VAL 90 Ca 0.51 -0.24 0.14 0.00 0.00 0.00 0.00 61.98 62.38 3krs s VAL 90 Cb -0.22 -2.88 0.24 0.00 0.00 0.00 0.00 36.38 33.52 3krs s VAL 90 CO 0.63 0.44 1.14 -0.90 0.00 0.00 0.00 175.10 176.41 3krs n ASP 91 N 3.95 2.44 -3.68 3.32 5.75 -1.26 -3.75 116.55 123.31 3krs n ASP 91 Ca -0.17 -2.78 -0.14 0.00 -0.01 0.00 0.00 54.79 51.69 3krs n ASP 91 Cb 0.52 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 3krs n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3krs s SER 93 N -0.43 -0.02 0.52 0.00 0.15 -0.41 -0.94 113.70 112.58 3krs s SER 93 Ca -0.06 -0.06 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 3krs s SER 93 Cb -0.03 0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 64.45 3krs s SER 93 CO 0.03 -0.26 1.20 -0.76 1.20 0.00 0.00 173.24 174.66 3krs s LEU 94 N -0.89 3.86 -0.01 3.45 1.43 0.07 -0.99 118.68 125.59 3krs s LEU 94 Ca -0.10 2.38 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3krs s LEU 94 Cb -0.06 -4.39 0.01 0.00 0.03 0.00 0.00 46.19 41.78 3krs s LEU 94 CO 0.01 -1.25 0.03 -0.69 0.23 0.00 0.00 176.35 174.69 3krs s VAL 95 N -1.55 -0.02 -1.02 -1.59 1.01 -0.26 -3.65 120.40 113.33 3krs s VAL 95 Ca 0.70 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.74 3krs s VAL 95 Cb -0.30 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3krs s VAL 95 CO 0.35 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3krs n GLY 96 N 3.39 0.64 3.54 4.51 0.00 -1.26 -1.48 105.19 114.53 3krs n GLY 96 Ca -0.17 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 3krs n GLY 96 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3krs n HIS 97 N -3.27 0.75 -0.34 1.61 -0.00 -1.26 -4.42 115.22 108.30 3krs n HIS 97 Ca -0.11 0.73 0.21 0.00 -0.00 0.00 0.00 57.72 58.54 3krs n HIS 97 Cb 0.45 -2.17 0.43 0.00 -0.00 0.00 0.00 29.99 28.70 3krs n HIS 97 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3krs h SER 98 N 1.64 0.55 -0.28 0.26 4.64 -1.94 -0.01 113.55 118.42 3krs h SER 98 Ca -0.38 0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.04 3krs h SER 98 Cb 1.36 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 3krs h SER 98 CO 0.59 -0.04 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.12 3krs h GLU 99 N 0.42 0.66 -0.02 4.77 5.08 -1.98 0.17 114.58 123.67 3krs h GLU 99 Ca 0.69 -0.18 -0.19 0.00 -1.00 0.00 0.00 59.36 58.67 3krs h GLU 99 Cb 1.45 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3krs h GLU 99 CO -0.55 0.72 -0.81 0.00 -1.00 0.00 0.00 179.01 177.36 3krs h ARG 100 N 0.61 0.27 -0.46 2.33 3.08 -1.35 -0.08 114.38 118.77 3krs h ARG 100 Ca 0.12 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3krs h ARG 100 Cb 0.48 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3krs h ARG 100 CO 0.03 0.95 -0.05 0.00 -1.07 0.00 0.00 179.97 179.82 3krs h ARG 101 N 0.17 0.85 0.02 0.04 3.08 -1.18 -1.55 114.38 115.81 3krs h ARG 101 Ca -0.04 -0.30 -0.23 0.00 0.07 0.00 0.00 59.98 59.48 3krs h ARG 101 Cb 1.41 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 31.42 3krs h ARG 101 CO 0.13 0.93 -0.92 1.96 -1.07 0.00 0.00 179.97 181.00 3krs h GLN 102 N 0.70 0.60 0.00 0.04 4.20 -0.91 -3.36 115.11 116.38 3krs h GLN 102 Ca 0.13 -0.66 -0.30 0.00 0.06 0.00 0.00 58.65 57.88 3krs h GLN 102 Cb 0.58 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 3krs h GLN 102 CO 0.03 1.26 -2.17 0.66 -0.67 0.00 0.00 178.83 177.95 3krs n TYR 103 N -3.97 0.00 -1.29 2.96 4.01 -0.05 -4.68 117.16 114.15 3krs n TYR 103 Ca -0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 3krs n TYR 103 Cb 0.83 -0.83 0.17 0.00 -0.31 0.00 0.00 39.34 39.20 3krs n TYR 103 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3krs n TYR 104 N -2.61 0.00 -2.55 -0.72 4.01 -0.60 -4.99 117.16 109.69 3krs n TYR 104 Ca -0.27 -1.20 -0.20 0.00 -0.16 0.00 0.00 57.90 56.07 3krs n TYR 104 Cb 1.03 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 3krs n TYR 104 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3krs n SER 105 N -1.31 -5.77 -4.58 7.72 7.64 -1.16 -4.93 113.62 111.23 3krs n SER 105 Ca 0.17 -0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 3krs n SER 105 Cb 0.66 -4.74 -0.02 0.00 -1.01 0.00 0.00 64.21 59.10 3krs n SER 105 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3krs s GLU 106 N -5.18 3.50 0.74 1.43 2.02 -1.09 -5.00 118.70 115.12 3krs s GLU 106 Ca 0.08 0.25 -0.08 0.00 0.02 0.00 0.00 54.97 55.24 3krs s GLU 106 Cb -0.04 -4.02 0.07 0.00 0.10 0.00 0.00 34.13 30.24 3krs s GLU 106 CO 0.10 -1.70 1.07 0.95 0.02 0.00 0.00 175.26 175.70 3krs s THR 107 N 5.00 2.19 0.44 3.63 -4.23 -1.26 -4.34 115.64 117.06 3krs s THR 107 Ca 0.43 -0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.89 3krs s THR 107 Cb -0.08 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.09 3krs s THR 107 CO 0.25 -0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.76 3krs h ASP 108 N -0.74 0.36 -0.07 3.99 3.32 -1.97 -0.84 116.42 120.47 3krs h ASP 108 Ca -0.45 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.36 3krs h ASP 108 Cb 1.32 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.82 3krs h ASP 108 CO 0.62 0.22 -0.93 1.56 -1.72 0.00 0.00 179.24 178.99 3krs h GLN 109 N 0.40 0.75 -0.59 3.56 7.50 -1.93 -0.91 115.11 123.89 3krs h GLN 109 Ca 0.26 -0.72 -0.02 0.00 0.50 0.00 0.00 58.65 58.67 3krs h GLN 109 Cb 0.48 0.18 -0.03 0.00 0.05 0.00 0.00 27.48 28.17 3krs h GLN 109 CO -0.07 1.30 0.29 0.82 -1.50 0.00 0.00 178.83 179.68 3krs h ILE 110 N 0.46 1.20 -0.46 2.54 2.04 -1.79 -1.60 117.51 119.91 3krs h ILE 110 Ca -0.10 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3krs h ILE 110 Cb 1.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3krs h ILE 110 CO 0.19 0.23 0.28 0.58 0.00 0.00 0.00 178.15 179.42 3krs h VAL 111 N 0.80 1.05 -0.50 1.67 2.07 -1.04 -0.41 116.25 119.89 3krs h VAL 111 Ca 0.20 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3krs h VAL 111 Cb 0.10 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 3krs h VAL 111 CO -0.03 0.10 0.11 -1.13 0.02 0.00 0.00 177.57 176.64 3krs h ASN 112 N 0.55 0.02 -0.82 0.57 -0.00 -0.91 0.11 115.58 115.11 3krs h ASN 112 Ca 0.18 0.09 -0.02 0.00 -0.00 0.00 0.00 56.30 56.55 3krs h ASN 112 Cb 0.01 0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.41 3krs h ASN 112 CO -0.08 0.04 0.45 -1.13 -0.00 0.00 0.00 177.43 176.70 3krs h ASN 113 N 0.25 1.03 -0.40 1.15 -0.73 -0.56 -1.09 115.58 115.22 3krs h ASN 113 Ca 0.25 -0.10 -0.13 0.00 1.87 0.00 0.00 56.30 58.19 3krs h ASN 113 Cb 0.33 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 3krs h ASN 113 CO -0.32 0.83 -0.25 0.11 -0.37 0.00 0.00 177.43 177.43 3krs h LYS 114 N 1.14 0.89 0.02 6.67 1.57 -0.51 -0.20 116.57 126.14 3krs h LYS 114 Ca 0.29 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3krs h LYS 114 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3krs h LYS 114 CO -0.05 1.06 -0.05 0.28 -0.57 0.00 0.00 179.45 180.13 3krs h VAL 115 N 0.70 0.88 -0.36 0.50 2.07 -0.51 0.02 116.25 119.56 3krs h VAL 115 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3krs h VAL 115 Cb 0.83 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3krs h VAL 115 CO 0.07 0.00 0.23 0.11 0.02 0.00 0.00 177.57 178.00 3krs h LYS 116 N -0.09 0.48 -0.23 1.57 1.57 -1.14 -0.86 116.57 117.86 3krs h LYS 116 Ca 0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3krs h LYS 116 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3krs h LYS 116 CO -0.04 0.33 0.09 -0.22 -0.57 0.00 0.00 179.45 179.04 3krs h LYS 117 N 0.48 0.20 -0.00 3.15 1.63 -0.87 -1.06 116.57 120.10 3krs h LYS 117 Ca 0.13 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3krs h LYS 117 Cb -0.04 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3krs h LYS 117 CO -0.03 0.13 0.00 0.78 -3.45 0.00 0.00 179.45 176.89 3krs h GLY 118 N 0.21 0.01 1.12 5.01 0.00 -0.73 -2.48 103.07 106.20 3krs h GLY 118 Ca 0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3krs h GLY 118 CO -0.09 0.00 0.31 1.41 0.00 0.00 0.00 176.54 178.17 3krs h LEU 119 N -0.06 1.03 -1.72 3.11 3.38 -1.10 -1.73 115.31 118.23 3krs h LEU 119 Ca 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3krs h LEU 119 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3krs h LEU 119 CO -0.00 0.90 -0.17 -0.08 0.09 0.00 0.00 178.44 179.18 3krs h GLU 120 N 1.09 0.00 -0.46 1.13 4.81 -1.06 -1.06 114.58 119.04 3krs h GLU 120 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3krs h GLU 120 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3krs h GLU 120 CO -0.02 0.17 0.00 0.09 -0.73 0.00 0.00 179.01 178.52 3krs n ASN 121 N -4.08 2.44 0.00 1.04 3.02 -0.94 -4.94 115.26 111.80 3krs n ASN 121 Ca -0.02 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 3krs n ASN 121 Cb 0.25 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3krs n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krs n GLY 122 N 1.16 0.59 3.81 7.41 0.00 -0.40 -5.03 105.19 112.73 3krs n GLY 122 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3krs n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krs s LEU 123 N 0.00 4.20 -0.04 0.99 1.43 -0.69 -4.96 118.68 119.60 3krs s LEU 123 Ca 0.00 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 54.41 3krs s LEU 123 Cb 0.00 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 3krs s LEU 123 CO 0.00 -0.13 1.21 -0.75 0.23 0.00 0.00 176.35 176.90 3krs s LYS 124 N -2.45 4.35 -0.18 1.70 2.20 -0.01 -4.17 119.74 121.19 3krs s LYS 124 Ca 0.52 1.69 -0.02 0.00 -0.36 0.00 0.00 55.97 57.80 3krs s LYS 124 Cb -0.14 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3krs s LYS 124 CO 0.19 -0.44 -0.10 0.42 -0.36 0.00 0.00 175.35 175.07 3krs s ILE 125 N 2.14 3.05 -0.71 5.43 -1.09 -0.04 -1.29 121.20 128.69 3krs s ILE 125 Ca 0.56 -0.62 -0.18 0.00 -2.23 0.00 0.00 60.65 58.18 3krs s ILE 125 Cb -0.25 -2.33 0.14 0.00 -1.58 0.00 0.00 42.46 38.43 3krs s ILE 125 CO 0.23 0.48 0.79 -0.69 -1.23 0.00 0.00 174.94 174.52 3krs s VAL 126 N 1.01 5.00 -0.18 2.92 1.01 -0.16 -0.88 120.40 129.11 3krs s VAL 126 Ca -0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 3krs s VAL 126 Cb -0.15 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.69 3krs s VAL 126 CO -0.01 -1.17 0.90 -0.22 0.00 0.00 0.00 175.10 174.60 3krs s LEU 127 N 2.07 4.15 -0.17 3.92 2.96 0.10 -1.10 118.68 130.62 3krs s LEU 127 Ca 0.17 1.25 -0.08 0.00 -0.22 0.00 0.00 54.13 55.25 3krs s LEU 127 Cb -0.18 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 3krs s LEU 127 CO -0.00 -0.48 0.10 0.00 -1.32 0.00 0.00 176.35 174.64 3krs s ILE 129 N -0.04 0.32 0.00 0.00 -4.36 -0.62 -4.63 121.20 111.88 3krs s ILE 129 Ca 0.08 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3krs s ILE 129 Cb -0.12 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.51 3krs s ILE 129 CO 0.00 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.34 3krs n GLY 130 N -0.16 3.39 3.79 6.27 0.00 -1.26 -0.56 105.19 116.67 3krs n GLY 130 Ca -0.06 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 3krs n GLY 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3krs s GLU 131 N -2.12 2.92 0.89 1.61 1.03 -1.25 -4.85 118.70 116.93 3krs s GLU 131 Ca 0.00 -0.74 -0.13 0.00 0.03 0.00 0.00 54.97 54.12 3krs s GLU 131 Cb 0.00 -2.72 0.13 0.00 -0.80 0.00 0.00 34.13 30.75 3krs s GLU 131 CO 0.00 0.54 1.20 -1.54 -1.33 0.00 0.00 175.26 174.13 3krs s SER 132 N -2.66 3.75 0.18 0.83 1.04 -1.26 -2.23 113.70 113.35 3krs s SER 132 Ca 0.30 0.68 -0.11 0.00 0.48 0.00 0.00 55.95 57.31 3krs s SER 132 Cb -0.11 -1.07 0.09 0.00 0.10 0.00 0.00 66.02 65.03 3krs s SER 132 CO 0.23 -2.37 1.72 0.25 0.98 0.00 0.00 173.24 174.05 3krs h LEU 133 N -1.38 0.93 -0.60 2.42 5.85 -1.82 0.59 115.31 121.28 3krs h LEU 133 Ca -0.47 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 3krs h LEU 133 Cb 1.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3krs h LEU 133 CO 0.56 0.88 0.28 -1.28 -0.34 0.00 0.00 178.44 178.54 3krs h SER 134 N 0.93 0.80 -0.35 1.25 0.87 -1.96 -0.40 113.55 114.69 3krs h SER 134 Ca 0.21 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3krs h SER 134 Cb 0.27 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3krs h SER 134 CO -0.01 0.72 0.20 -0.33 -0.53 0.00 0.00 176.83 176.88 3krs h GLU 135 N 0.83 0.48 -0.49 2.24 5.08 -1.85 -1.90 114.58 118.97 3krs h GLU 135 Ca 0.21 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3krs h GLU 135 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3krs h GLU 135 CO -0.02 0.37 0.11 -0.09 -1.00 0.00 0.00 179.01 178.38 3krs h ARG 136 N 0.45 0.78 0.00 2.33 2.43 -0.54 -0.31 114.38 119.52 3krs h ARG 136 Ca 0.12 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3krs h ARG 136 Cb 0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3krs h ARG 136 CO -0.02 0.77 -0.28 0.93 -1.51 0.00 0.00 179.97 179.85 3krs h GLU 137 N 0.67 0.00 -0.60 0.20 5.08 -0.91 -2.41 114.58 116.60 3krs h GLU 137 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3krs h GLU 137 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3krs h GLU 137 CO 0.00 0.28 0.00 0.25 -1.00 0.00 0.00 179.01 178.55 3krs n THR 138 N -3.65 0.87 -1.10 1.13 -2.24 -0.73 -4.95 114.28 103.62 3krs n THR 138 Ca -0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3krs n THR 138 Cb 0.40 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3krs n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krs n GLY 139 N 1.39 0.51 1.10 3.38 0.00 -0.91 -4.96 105.19 105.70 3krs n GLY 139 Ca 0.20 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.43 3krs n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krs n LYS 140 N -2.32 2.58 -0.12 1.61 4.76 -0.14 -4.61 118.16 119.92 3krs n LYS 140 Ca 0.00 -2.35 -0.07 0.00 -2.87 0.00 0.00 58.31 53.02 3krs n LYS 140 Cb 0.12 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3krs n LYS 140 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3krs h THR 141 N 3.77 0.26 -0.36 -0.18 2.02 -1.84 0.73 112.91 117.30 3krs h THR 141 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 3krs h THR 141 Cb 0.91 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3krs h THR 141 CO 0.00 0.00 -0.37 0.78 0.37 0.00 0.00 175.52 176.30 3krs h ASN 142 N -0.23 0.90 -0.59 4.18 4.21 -1.95 -1.31 115.58 120.78 3krs h ASN 142 Ca 0.18 -0.40 0.07 0.00 1.21 0.00 0.00 56.30 57.35 3krs h ASN 142 Cb 0.52 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 37.42 3krs h ASN 142 CO -0.53 1.17 0.28 0.44 -1.29 0.00 0.00 177.43 177.50 3krs h ASP 143 N 0.70 0.37 -0.22 5.81 3.32 -1.75 -1.14 116.42 123.52 3krs h ASP 143 Ca 0.06 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3krs h ASP 143 Cb 0.94 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3krs h ASP 143 CO 0.09 0.24 0.01 0.58 -1.72 0.00 0.00 179.24 178.44 3krs h VAL 144 N 0.52 1.25 -0.64 -1.35 2.07 -0.62 -1.38 116.25 116.10 3krs h VAL 144 Ca 0.27 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3krs h VAL 144 Cb 0.23 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3krs h VAL 144 CO -0.21 0.27 0.33 0.40 0.02 0.00 0.00 177.57 178.37 3krs h ILE 145 N 0.16 1.21 -0.41 4.57 2.04 -1.12 -0.08 117.51 123.88 3krs h ILE 145 Ca 0.06 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3krs h ILE 145 Cb 0.39 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3krs h ILE 145 CO 0.01 0.24 0.22 1.56 0.00 0.00 0.00 178.15 180.18 3krs h GLN 146 N 0.88 0.58 -0.18 2.37 4.20 -1.15 -1.02 115.11 120.79 3krs h GLN 146 Ca 0.22 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3krs h GLN 146 Cb 0.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3krs h GLN 146 CO -0.03 0.48 0.08 -0.22 -0.67 0.00 0.00 178.83 178.47 3krs h LYS 147 N 0.53 0.26 -0.66 1.46 3.64 -0.89 -0.18 116.57 120.74 3krs h LYS 147 Ca 0.14 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3krs h LYS 147 Cb 0.07 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3krs h LYS 147 CO -0.02 0.30 0.19 1.96 -2.27 0.00 0.00 179.45 179.61 3krs h GLN 148 N 0.16 1.01 -0.15 1.90 4.20 -0.82 -1.07 115.11 120.35 3krs h GLN 148 Ca 0.06 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3krs h GLN 148 Cb 0.13 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3krs h GLN 148 CO -0.01 0.88 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.61 3krs h LEU 149 N 0.97 0.57 -0.53 1.46 3.38 -1.11 -0.20 115.31 119.85 3krs h LEU 149 Ca 0.21 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3krs h LEU 149 Cb 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3krs h LEU 149 CO -0.01 1.04 0.29 0.74 0.09 0.00 0.00 178.44 180.59 3krs h THR 150 N 0.13 0.99 0.12 0.22 2.02 -0.82 -1.46 112.91 114.10 3krs h THR 150 Ca -0.00 -0.19 -0.21 0.00 0.77 0.00 0.00 66.41 66.77 3krs h THR 150 Cb 0.96 0.38 0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3krs h THR 150 CO 0.08 0.10 -0.89 -0.33 0.37 0.00 0.00 175.52 174.85 3krs h GLU 151 N 0.57 0.40 -0.13 6.66 4.39 -1.23 -3.00 114.58 122.23 3krs h GLU 151 Ca 0.23 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 3krs h GLU 151 Cb 0.10 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3krs h GLU 151 CO -0.14 1.25 -0.18 0.00 -1.16 0.00 0.00 179.01 178.78 3krs h ALA 152 N 0.18 1.46 -0.43 3.43 0.00 -0.96 -3.01 119.26 119.93 3krs h ALA 152 Ca -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3krs h ALA 152 Cb 1.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3krs h ALA 152 CO 0.17 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.08 3krs n LEU 153 N -4.24 4.58 -4.67 0.00 4.77 -0.56 -4.22 117.00 112.66 3krs n LEU 153 Ca -0.01 -2.83 -0.42 0.00 -0.03 0.00 0.00 56.01 52.72 3krs n LEU 153 Cb 0.30 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3krs n LEU 153 CO 0.38 0.68 1.45 -0.75 -1.33 0.00 0.00 177.39 177.83 3krs s LYS 154 N -2.53 4.17 -1.79 3.23 2.20 -1.13 -1.61 119.74 122.27 3krs s LYS 154 Ca 0.46 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 3krs s LYS 154 Cb 0.35 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3krs s LYS 154 CO 0.14 -0.85 0.00 -0.25 -0.36 0.00 0.00 175.35 174.03 3krs n ASP 155 N 6.63 -5.29 -4.36 1.43 8.00 -1.26 -4.97 116.55 116.73 3krs n ASP 155 Ca 0.18 0.24 -0.45 0.00 0.71 0.00 0.00 54.79 55.47 3krs n ASP 155 Cb 0.41 -4.39 -0.07 0.00 -0.02 0.00 0.00 41.12 37.05 3krs n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3krs s VAL 156 N -2.80 5.23 0.01 2.53 1.01 -0.64 -4.96 120.40 120.79 3krs s VAL 156 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.85 3krs s VAL 156 Cb 0.00 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 3krs s VAL 156 CO 0.00 -0.68 0.87 0.77 0.00 0.00 0.00 175.10 176.06 3krs h SER 157 N 8.80 0.04 -3.10 3.32 4.64 -1.93 -3.46 113.55 121.86 3krs h SER 157 Ca -0.29 -0.06 -0.65 0.00 -0.47 0.00 0.00 61.79 60.32 3krs h SER 157 Cb 1.11 -0.01 -0.35 0.00 -0.31 0.00 0.00 62.40 62.83 3krs h SER 157 CO 0.94 1.05 -0.85 -0.62 -0.87 0.00 0.00 176.83 176.47 3krs s ASP 158 N -6.37 2.98 -0.06 4.97 -1.08 -1.26 -5.01 116.67 110.85 3krs s ASP 158 Ca -0.03 -0.59 0.16 0.00 -0.52 0.00 0.00 52.55 51.57 3krs s ASP 158 Cb 0.09 -1.38 0.54 0.00 -1.46 0.00 0.00 42.92 40.70 3krs s ASP 158 CO 0.82 -0.00 1.45 0.18 0.52 0.00 0.00 175.17 178.14 3krs n LEU 159 N 4.58 3.84 0.06 -1.34 4.77 -1.26 -4.61 117.00 123.04 3krs n LEU 159 Ca -0.20 -2.27 0.04 0.00 -0.03 0.00 0.00 56.01 53.55 3krs n LEU 159 Cb 0.50 -0.43 0.44 0.00 -2.33 0.00 0.00 43.42 41.60 3krs n LEU 159 CO 0.25 0.81 1.08 0.77 -1.33 0.00 0.00 177.39 178.97 3krs h SER 160 N 3.12 0.36 -0.53 -1.43 4.64 -1.98 -1.70 113.55 116.03 3krs h SER 160 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3krs h SER 160 Cb 1.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3krs h SER 160 CO 0.10 0.32 0.00 0.59 -0.87 0.00 0.00 176.83 176.97 3krs n ASN 161 N -4.43 4.88 -4.82 4.97 5.03 -1.26 -4.96 115.26 114.66 3krs n ASN 161 Ca 0.01 -2.71 -0.33 0.00 0.87 0.00 0.00 54.58 52.42 3krs n ASN 161 Cb 0.11 -0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 38.22 3krs n ASN 161 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3krs s LEU 162 N -2.33 4.05 0.01 3.41 2.96 -0.64 -0.86 118.68 125.28 3krs s LEU 162 Ca 0.49 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3krs s LEU 162 Cb 0.35 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3krs s LEU 162 CO 0.18 0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.67 3krs s VAL 163 N -1.25 0.92 -0.14 1.68 1.01 -0.06 -4.59 120.40 117.96 3krs s VAL 163 Ca 0.25 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3krs s VAL 163 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3krs s VAL 163 CO 0.16 0.14 -0.03 -0.63 0.00 0.00 0.00 175.10 174.74 3krs s ILE 164 N -0.50 4.02 -0.21 2.22 1.01 -0.49 -0.72 121.20 126.52 3krs s ILE 164 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 3krs s ILE 164 Cb -0.06 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 3krs s ILE 164 CO 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 174.94 175.45 3krs s ALA 165 N 0.13 2.99 -0.29 9.38 0.00 0.20 -0.06 121.76 134.12 3krs s ALA 165 Ca -0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 3krs s ALA 165 Cb -0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 3krs s ALA 165 CO 0.02 -0.28 0.62 -0.47 0.00 0.00 0.00 175.76 175.65 3krs s TYR 166 N 1.24 3.24 -0.35 0.00 5.04 -0.32 -1.58 117.35 124.61 3krs s TYR 166 Ca 0.03 0.64 -0.09 0.00 -2.44 0.00 0.00 57.07 55.22 3krs s TYR 166 Cb -0.15 -2.92 0.03 0.00 0.35 0.00 0.00 41.96 39.27 3krs s TYR 166 CO 0.01 -0.42 0.15 -1.21 -1.34 0.00 0.00 175.55 172.74 3krs s GLU 167 N 2.55 2.81 -1.22 4.97 2.02 0.27 0.18 118.70 130.27 3krs s GLU 167 Ca 0.25 -1.07 -0.19 0.00 0.02 0.00 0.00 54.97 53.98 3krs s GLU 167 Cb -0.15 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 3krs s GLU 167 CO 0.11 -0.65 1.93 -0.35 0.02 0.00 0.00 175.26 176.32 3krs n PRO 168 N 4.92 2.46 -0.23 0.39 -0.04 -1.26 -3.92 135.00 137.31 3krs n PRO 168 Ca -0.12 -2.70 0.09 0.00 -0.04 0.00 0.00 63.50 60.72 3krs n PRO 168 Cb 0.46 -3.41 0.35 0.00 -0.04 0.00 0.00 33.50 30.86 3krs n PRO 168 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3krs h ILE 169 N 5.18 0.94 -0.05 0.52 2.04 -1.86 0.12 117.51 124.40 3krs h ILE 169 Ca 0.42 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3krs h ILE 169 Cb 0.80 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3krs h ILE 169 CO 1.58 0.14 0.35 4.11 0.00 0.00 0.00 178.15 184.33 3krs h TRP 170 N 0.76 0.00 -0.08 1.37 5.08 -1.67 -2.11 115.95 119.30 3krs h TRP 170 Ca 0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.35 3krs h TRP 170 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 3krs h TRP 170 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3krs n ALA 171 N -1.94 2.43 -3.98 0.11 0.00 0.41 -4.56 120.51 112.97 3krs n ALA 171 Ca -0.01 -2.35 -0.31 0.00 0.00 0.00 0.00 53.44 50.77 3krs n ALA 171 Cb 0.41 -0.44 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 3krs n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3krs s ILE 172 N -2.64 1.81 0.00 0.00 1.01 -0.79 -4.69 121.20 115.90 3krs s ILE 172 Ca 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.46 3krs s ILE 172 Cb 0.27 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3krs s ILE 172 CO 0.05 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3krs n GLY 173 N 4.55 0.48 0.10 6.18 0.00 -1.26 -4.88 105.19 110.35 3krs n GLY 173 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3krs n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3krs n THR 174 N -2.80 0.00 0.00 2.61 -2.24 -1.26 -4.97 114.28 105.62 3krs n THR 174 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3krs n THR 174 Cb 0.06 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3krs n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krs n GLY 175 N 1.35 2.46 3.86 3.38 0.00 -1.26 -5.03 105.19 109.95 3krs n GLY 175 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3krs n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krs s VAL 176 N -2.47 5.03 -0.06 1.61 1.01 -1.26 -5.08 120.40 119.18 3krs s VAL 176 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.62 3krs s VAL 176 Cb 0.00 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3krs s VAL 176 CO 0.00 0.33 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 3krs s VAL 177 N -1.36 1.63 -0.11 2.92 1.01 -1.26 -4.38 120.40 118.85 3krs s VAL 177 Ca 0.32 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 3krs s VAL 177 Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3krs s VAL 177 CO 0.17 0.46 0.64 0.00 0.00 0.00 0.00 175.10 176.38 3krs s ALA 178 N 0.11 3.42 0.52 5.51 0.00 -1.26 -5.03 121.76 125.03 3krs s ALA 178 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 3krs s ALA 178 Cb -0.13 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3krs s ALA 178 CO 0.04 -0.22 0.87 0.95 0.00 0.00 0.00 175.76 177.40 3krs s THR 179 N 1.09 4.82 0.37 0.00 -4.23 -1.26 -4.95 115.64 111.49 3krs s THR 179 Ca 0.33 0.48 0.08 0.00 -1.18 0.00 0.00 61.69 61.40 3krs s THR 179 Cb -0.17 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.12 3krs s THR 179 CO 0.14 -0.93 1.95 -0.65 -0.54 0.00 0.00 174.62 174.60 3krs h PRO 180 N 0.13 0.67 -0.79 3.99 0.11 -1.98 -1.82 132.00 132.32 3krs h PRO 180 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3krs h PRO 180 Cb 1.20 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3krs h PRO 180 CO 0.62 0.44 0.50 0.78 -0.21 0.00 0.00 178.00 180.13 3krs h GLY 181 N 0.69 1.12 1.10 -0.55 0.00 -1.99 0.96 103.07 104.40 3krs h GLY 181 Ca 0.32 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3krs h GLY 181 CO -0.11 0.43 0.05 1.46 0.00 0.00 0.00 176.54 178.37 3krs h GLN 182 N 1.07 1.09 -0.09 4.80 4.20 -1.82 -0.68 115.11 123.68 3krs h GLN 182 Ca 0.29 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3krs h GLN 182 Cb -0.09 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 3krs h GLN 182 CO -0.06 1.02 0.05 0.00 -0.67 0.00 0.00 178.83 179.17 3krs h ALA 183 N 1.04 0.11 -0.59 3.87 0.00 -0.89 -1.88 119.26 120.92 3krs h ALA 183 Ca 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3krs h ALA 183 Cb 0.50 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3krs h ALA 183 CO 0.02 -0.35 0.31 0.37 0.00 0.00 0.00 179.25 179.60 3krs h GLN 184 N 0.05 0.56 -0.59 0.00 5.75 -0.76 -0.15 115.11 119.97 3krs h GLN 184 Ca 0.03 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3krs h GLN 184 Cb 0.08 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3krs h GLN 184 CO -0.00 0.37 0.39 1.49 -2.65 0.00 0.00 178.83 178.43 3krs h GLU 185 N 0.58 0.77 -0.25 1.69 4.81 -0.93 0.94 114.58 122.19 3krs h GLU 185 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3krs h GLU 185 Cb 0.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3krs h GLU 185 CO -0.18 0.51 0.09 0.00 -0.73 0.00 0.00 179.01 178.70 3krs h ALA 186 N 1.22 0.33 -0.86 2.92 0.00 -0.85 -1.87 119.26 120.14 3krs h ALA 186 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3krs h ALA 186 Cb -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3krs h ALA 186 CO -0.05 -0.06 0.57 0.45 0.00 0.00 0.00 179.25 180.16 3krs h HIS 187 N 0.25 1.08 -0.82 0.00 3.86 -0.76 -0.61 115.15 118.14 3krs h HIS 187 Ca 0.08 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3krs h HIS 187 Cb 0.21 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 3krs h HIS 187 CO -0.00 0.66 0.41 0.00 0.86 0.00 0.00 177.93 179.86 3krs h ALA 188 N 1.33 1.06 -0.44 2.45 0.00 -0.71 -0.87 119.26 122.08 3krs h ALA 188 Ca 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3krs h ALA 188 Cb -0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3krs h ALA 188 CO -0.08 0.61 -0.03 0.35 0.00 0.00 0.00 179.25 180.10 3krs h PHE 189 N 1.16 0.88 -0.31 0.00 3.57 -0.87 -0.42 116.94 120.94 3krs h PHE 189 Ca 0.28 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3krs h PHE 189 Cb 0.10 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3krs h PHE 189 CO 0.01 0.87 0.12 0.82 -2.23 0.00 0.00 178.31 177.90 3krs h ILE 190 N 0.63 0.93 -0.75 1.41 2.04 -0.79 -0.23 117.51 120.76 3krs h ILE 190 Ca 0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3krs h ILE 190 Cb 0.54 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3krs h ILE 190 CO 0.03 0.05 0.44 -0.09 0.00 0.00 0.00 178.15 178.58 3krs h ARG 191 N 0.27 1.03 -0.83 2.37 2.43 -0.95 -0.47 114.38 118.22 3krs h ARG 191 Ca 0.14 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3krs h ARG 191 Cb 0.09 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3krs h ARG 191 CO -0.13 0.73 0.54 0.93 -1.51 0.00 0.00 179.97 180.54 3krs h GLU 192 N 1.03 1.10 -0.35 0.20 5.08 -0.70 -0.85 114.58 120.09 3krs h GLU 192 Ca 0.27 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3krs h GLU 192 Cb -0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3krs h GLU 192 CO -0.05 0.74 -0.38 -0.92 -1.00 0.00 0.00 179.01 177.40 3krs h TYR 193 N 1.13 1.00 -0.48 4.33 3.20 -0.52 -2.51 116.97 123.12 3krs h TYR 193 Ca 0.30 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3krs h TYR 193 Cb -0.12 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 3krs h TYR 193 CO -0.01 1.09 0.32 0.28 -1.64 0.00 0.00 178.16 178.19 3krs h VAL 194 N 0.69 1.12 -0.52 1.81 2.07 -0.76 -0.40 116.25 120.27 3krs h VAL 194 Ca 0.06 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3krs h VAL 194 Cb 0.95 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3krs h VAL 194 CO 0.09 0.12 0.33 0.74 0.02 0.00 0.00 177.57 178.87 3krs h THR 195 N 0.65 1.09 -0.63 2.57 2.02 -0.79 0.13 112.91 117.95 3krs h THR 195 Ca 0.18 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3krs h THR 195 Cb -0.07 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3krs h THR 195 CO -0.04 0.12 0.05 0.03 0.37 0.00 0.00 175.52 176.05 3krs h ARG 196 N 0.66 1.09 -0.01 6.66 3.08 -0.87 -2.37 114.38 122.61 3krs h ARG 196 Ca 0.20 -0.32 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 3krs h ARG 196 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3krs h ARG 196 CO -0.07 1.03 -0.80 0.52 -1.07 0.00 0.00 179.97 179.58 3krs h MET 197 N 1.00 0.15 0.00 0.04 2.86 -0.85 -3.44 114.93 114.69 3krs h MET 197 Ca 0.19 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3krs h MET 197 Cb 0.51 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3krs h MET 197 CO 0.02 0.87 0.00 0.66 1.06 0.00 0.00 176.91 179.52 3krs n TYR 198 N -3.69 0.00 -3.77 -0.22 4.01 0.44 -5.09 117.16 108.83 3krs n TYR 198 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3krs n TYR 198 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.77 3krs n TYR 198 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3krs s ASN 199 N 1.00 -0.18 0.42 7.72 2.20 -0.90 -4.91 114.94 120.29 3krs s ASN 199 Ca 0.00 -0.45 0.17 0.00 -0.94 0.00 0.00 52.86 51.64 3krs s ASN 199 Cb 0.00 0.52 0.95 0.00 -2.00 0.00 0.00 41.25 40.73 3krs s ASN 199 CO 0.00 -0.97 1.91 -0.65 -2.94 0.00 0.00 177.10 174.45 3krs h PRO 200 N 2.00 0.00 -0.00 3.55 0.11 -1.91 -1.63 132.00 134.12 3krs h PRO 200 Ca -0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 3krs h PRO 200 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3krs h PRO 200 CO 0.25 0.27 0.00 0.37 -0.21 0.00 0.00 178.00 178.68 3krs h GLN 201 N 0.00 0.01 0.02 1.05 4.15 -1.96 -1.20 115.11 117.17 3krs h GLN 201 Ca -0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3krs h GLN 201 Cb 0.53 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3krs h GLN 201 CO 0.03 0.18 -0.01 0.28 -1.93 0.00 0.00 178.83 177.38 3krs h VAL 202 N -0.17 1.07 -0.31 2.39 2.07 -1.88 -2.53 116.25 116.90 3krs h VAL 202 Ca 0.00 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3krs h VAL 202 Cb 0.17 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3krs h VAL 202 CO -0.00 0.08 0.07 0.77 0.02 0.00 0.00 177.57 178.51 3krs h SER 203 N -0.16 0.41 0.88 0.57 4.64 -1.32 -1.76 113.55 116.81 3krs h SER 203 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3krs h SER 203 Cb 0.15 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3krs h SER 203 CO 0.01 0.42 -0.02 0.77 -0.87 0.00 0.00 176.83 177.14 3krs h SER 204 N 0.45 0.00 0.16 4.97 4.64 -0.95 -2.84 113.55 119.98 3krs h SER 204 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3krs h SER 204 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3krs h SER 204 CO -0.00 0.02 -1.07 0.59 -0.87 0.00 0.00 176.83 175.50 3krs n ASN 205 N -3.13 0.72 -4.66 4.97 3.02 -0.70 -4.75 115.26 110.73 3krs n ASN 205 Ca 0.00 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 3krs n ASN 205 Cb 0.28 0.98 -0.03 0.00 -0.61 0.00 0.00 39.78 40.41 3krs n ASN 205 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3krs s LEU 206 N -3.41 4.14 0.06 3.41 2.96 -0.98 -4.95 118.68 119.91 3krs s LEU 206 Ca 0.05 1.28 -0.31 0.00 -0.22 0.00 0.00 54.13 54.94 3krs s LEU 206 Cb 0.16 -3.39 -0.06 0.00 0.50 0.00 0.00 46.19 43.40 3krs s LEU 206 CO 0.84 -0.53 1.18 -0.13 -1.32 0.00 0.00 176.35 176.39 3krs s ARG 207 N 2.67 4.44 -0.24 1.98 3.00 -1.26 -5.00 118.95 124.54 3krs s ARG 207 Ca 0.41 1.75 0.02 0.00 0.00 0.00 0.00 55.73 57.92 3krs s ARG 207 Cb -0.16 -3.35 0.05 0.00 0.00 0.00 0.00 34.95 31.49 3krs s ARG 207 CO 0.10 -0.24 -0.12 0.42 0.00 0.00 0.00 175.30 175.47 3krs s ILE 208 N 1.01 2.05 0.04 1.52 1.01 -1.26 -1.39 121.20 124.18 3krs s ILE 208 Ca 0.58 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3krs s ILE 208 Cb -0.29 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 3krs s ILE 208 CO 0.29 0.05 0.04 0.27 0.00 0.00 0.00 174.94 175.60 3krs s ILE 209 N 1.18 4.36 -0.19 2.92 -4.36 0.92 -1.16 121.20 124.86 3krs s ILE 209 Ca -0.06 -0.69 -0.20 0.00 -0.26 0.00 0.00 60.65 59.44 3krs s ILE 209 Cb -0.19 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.46 3krs s ILE 209 CO -0.06 0.24 0.57 -0.47 0.24 0.00 0.00 174.94 175.46 3krs s TYR 210 N -1.25 3.39 -0.17 1.37 5.04 -0.25 -1.17 117.35 124.30 3krs s TYR 210 Ca 0.24 0.87 0.17 0.00 -2.44 0.00 0.00 57.07 55.91 3krs s TYR 210 Cb -0.12 -2.73 0.49 0.00 0.35 0.00 0.00 41.96 39.95 3krs s TYR 210 CO 0.16 -0.12 1.38 0.41 -1.34 0.00 0.00 175.55 176.04 3krs n GLY 211 N 3.79 4.18 0.00 8.97 0.00 0.13 -1.02 105.19 121.24 3krs n GLY 211 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3krs n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krs n GLY 212 N -0.66 -0.79 3.63 -0.02 0.00 -1.24 -4.60 105.19 101.51 3krs n GLY 212 Ca 0.20 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 3krs n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krs s SER 213 N -1.02 6.38 -0.08 1.61 0.01 -1.26 -4.72 113.70 114.63 3krs s SER 213 Ca 0.00 1.74 0.02 0.00 1.31 0.00 0.00 55.95 59.02 3krs s SER 213 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 3krs s SER 213 CO 0.00 -1.23 -0.14 -0.69 0.41 0.00 0.00 173.24 171.58 3krs s VAL 214 N 5.15 1.32 0.28 3.43 1.01 -1.26 -5.01 120.40 125.32 3krs s VAL 214 Ca 0.73 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.16 3krs s VAL 214 Cb -0.27 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3krs s VAL 214 CO 0.30 0.40 0.14 0.42 0.00 0.00 0.00 175.10 176.36 3krs s THR 215 N 0.72 0.34 0.63 3.92 -4.23 -1.26 -4.57 115.64 111.18 3krs s THR 215 Ca -0.13 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.70 3krs s THR 215 Cb -0.16 -2.54 0.36 0.00 1.34 0.00 0.00 72.50 71.50 3krs s THR 215 CO 0.03 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.54 3krs h PRO 216 N 2.31 0.00 0.00 3.99 0.11 -1.95 -2.50 132.00 133.97 3krs h PRO 216 Ca -0.35 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 3krs h PRO 216 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3krs h PRO 216 CO 0.54 0.00 -0.68 0.22 -0.21 0.00 0.00 178.00 177.87 3krs h ASP 217 N 0.00 0.00 -0.00 -2.05 3.58 -1.99 -3.38 116.42 112.58 3krs h ASP 217 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3krs h ASP 217 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3krs h ASP 217 CO -0.00 0.62 -0.06 -0.46 -2.88 0.00 0.00 179.24 176.46 3krs n ASN 218 N -3.23 0.45 -0.16 2.28 6.94 -1.01 -4.78 115.26 115.75 3krs n ASN 218 Ca 0.01 -0.72 -0.06 0.00 -0.02 0.00 0.00 54.58 53.78 3krs n ASN 218 Cb 0.79 0.67 0.10 0.00 -2.36 0.00 0.00 39.78 38.98 3krs n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3krs h ASN 220 N 0.85 0.86 -0.12 0.00 4.21 -1.86 -1.79 115.58 117.74 3krs h ASN 220 Ca 0.16 -0.15 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 3krs h ASN 220 Cb 0.50 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3krs h ASN 220 CO 0.02 0.82 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.86 3krs h GLU 221 N 0.89 0.24 -0.80 0.81 4.81 -1.84 -3.26 114.58 115.43 3krs h GLU 221 Ca 0.20 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3krs h GLU 221 Cb 0.29 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3krs h GLU 221 CO -0.00 0.56 0.49 -0.07 -0.73 0.00 0.00 179.01 179.26 3krs h LEU 222 N -0.09 0.96 -1.31 1.64 3.38 -1.21 -3.03 115.31 115.64 3krs h LEU 222 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3krs h LEU 222 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3krs h LEU 222 CO 0.01 0.73 -0.33 -0.29 0.09 0.00 0.00 178.44 178.66 3krs h ILE 223 N 1.10 1.05 0.00 1.22 6.09 -1.39 -1.92 117.51 123.66 3krs h ILE 223 Ca 0.29 -1.19 -0.01 0.00 -1.37 0.00 0.00 64.86 62.57 3krs h ILE 223 Cb -0.05 1.68 -0.00 0.00 0.47 0.00 0.00 36.82 38.91 3krs h ILE 223 CO -0.06 0.32 -0.06 0.11 -3.07 0.00 0.00 178.15 175.40 3krs h LYS 224 N 0.00 0.00 -6.89 2.19 1.57 -1.57 -3.45 116.57 108.42 3krs h LYS 224 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 3krs h LYS 224 Cb 0.65 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.07 3krs h LYS 224 CO 0.04 0.06 0.78 0.00 -0.57 0.00 0.00 179.45 179.76 3krs h ALA 226 N 3.35 1.62 -0.42 0.00 0.00 -1.89 -2.47 119.26 119.45 3krs h ALA 226 Ca -0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3krs h ALA 226 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3krs h ALA 226 CO 0.67 0.29 0.00 -0.25 0.00 0.00 0.00 179.25 179.96 3krs n ASP 227 N -4.29 3.13 -4.50 0.00 9.92 -1.26 -4.89 116.55 114.66 3krs n ASP 227 Ca -0.02 -1.97 -0.39 0.00 -0.53 0.00 0.00 54.79 51.88 3krs n ASP 227 Cb 0.27 -0.28 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 3krs n ASP 227 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3krs s ILE 228 N -1.02 5.01 -0.19 0.53 1.01 -0.93 -4.63 121.20 120.97 3krs s ILE 228 Ca 0.29 -0.27 0.16 0.00 0.00 0.00 0.00 60.65 60.83 3krs s ILE 228 Cb 0.15 -3.55 0.53 0.00 0.01 0.00 0.00 42.46 39.60 3krs s ILE 228 CO 0.20 0.05 1.43 0.47 0.00 0.00 0.00 174.94 177.09 3krs n ASP 229 N 5.05 3.71 0.00 3.58 8.00 -0.31 -4.72 116.55 131.86 3krs n ASP 229 Ca -0.13 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.25 3krs n ASP 229 Cb 0.50 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3krs n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krs n GLY 230 N -0.60 0.82 3.08 0.44 0.00 -1.26 -1.59 105.19 106.08 3krs n GLY 230 Ca 0.23 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 3krs n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krs s PHE 231 N -2.05 -0.03 -0.37 1.61 0.08 -0.60 -1.09 117.98 115.53 3krs s PHE 231 Ca 0.00 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3krs s PHE 231 Cb 0.00 -0.01 0.10 0.00 -0.57 0.00 0.00 43.02 42.54 3krs s PHE 231 CO 0.00 -0.21 0.12 -1.17 -0.10 0.00 0.00 175.22 173.85 3krs s LEU 232 N -0.87 4.92 0.00 -0.37 2.96 -0.18 -0.67 118.68 124.47 3krs s LEU 232 Ca -0.10 -2.03 -0.20 0.00 -0.22 0.00 0.00 54.13 51.58 3krs s LEU 232 Cb -0.05 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3krs s LEU 232 CO 0.01 -0.45 0.58 -0.69 -1.32 0.00 0.00 176.35 174.48 3krs s VAL 233 N 1.04 4.90 0.00 1.68 1.01 0.41 -4.32 120.40 125.12 3krs s VAL 233 Ca 0.08 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3krs s VAL 233 Cb -0.21 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3krs s VAL 233 CO -0.06 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3krs n GLY 234 N 2.36 1.04 0.36 4.51 0.00 -1.26 -0.51 105.19 111.69 3krs n GLY 234 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3krs n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3krs h GLY 235 N 0.00 0.55 2.00 -0.02 0.00 -1.91 -0.16 103.07 103.53 3krs h GLY 235 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3krs h GLY 235 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.63 3krs h ALA 236 N 1.70 1.00 0.00 3.60 0.00 -1.89 -1.72 119.26 121.94 3krs h ALA 236 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3krs h ALA 236 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3krs h ALA 236 CO -0.08 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 3krs n SER 237 N -2.95 0.00 -1.00 0.00 3.41 -0.07 -2.90 113.62 110.11 3krs n SER 237 Ca -0.02 0.36 0.09 0.00 -0.26 0.00 0.00 58.87 59.05 3krs n SER 237 Cb 0.13 -0.45 0.25 0.00 -0.26 0.00 0.00 64.21 63.89 3krs n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3krs n LEU 238 N -1.45 2.92 -4.37 1.04 4.77 -0.65 -4.88 117.00 114.38 3krs n LEU 238 Ca 0.07 -1.42 -0.28 0.00 -0.03 0.00 0.00 56.01 54.35 3krs n LEU 238 Cb 0.27 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3krs n LEU 238 CO 0.22 0.71 -0.56 -0.54 -1.33 0.00 0.00 177.39 175.89 3krs s LYS 239 N -1.33 1.38 0.45 3.23 1.02 -1.14 -4.99 119.74 118.35 3krs s LYS 239 Ca 0.37 -1.30 0.24 0.00 0.02 0.00 0.00 55.97 55.30 3krs s LYS 239 Cb 0.20 -1.81 1.24 0.00 -0.52 0.00 0.00 37.83 36.94 3krs s LYS 239 CO 0.26 0.43 1.82 -1.35 -0.92 0.00 0.00 175.35 175.59 3krs h PRO 240 N 3.99 0.25 0.00 -1.68 0.11 -1.90 -1.12 132.00 131.65 3krs h PRO 240 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3krs h PRO 240 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3krs h PRO 240 CO 0.39 0.17 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 3krs n THR 241 N -4.46 0.17 -0.28 -1.15 -2.24 -1.26 -1.45 114.28 103.61 3krs n THR 241 Ca 0.22 0.04 0.26 0.00 -2.27 0.00 0.00 64.05 62.31 3krs n THR 241 Cb 0.91 -0.81 0.61 0.00 -2.10 0.00 0.00 70.33 68.93 3krs n THR 241 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3krs h PHE 242 N 0.00 0.36 -0.79 4.78 3.57 -1.26 -0.07 116.94 123.52 3krs h PHE 242 Ca 0.00 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 3krs h PHE 242 Cb 0.04 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3krs h PHE 242 CO 0.00 0.05 0.52 0.00 -2.23 0.00 0.00 178.31 176.65 3krs h ALA 243 N 1.56 2.03 -0.22 2.41 0.00 -1.50 -1.08 119.26 122.47 3krs h ALA 243 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 3krs h ALA 243 Cb 1.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3krs h ALA 243 CO -0.15 -0.24 -0.31 0.87 0.00 0.00 0.00 179.25 179.42 3krs h LYS 244 N 0.50 0.44 -0.29 0.00 1.79 -1.25 -0.70 116.57 117.05 3krs h LYS 244 Ca 0.39 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 3krs h LYS 244 Cb 0.80 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3krs h LYS 244 CO -0.14 0.70 -0.22 0.82 -1.08 0.00 0.00 179.45 179.53 3krs h ILE 245 N 0.38 1.30 -0.86 1.86 2.04 -1.22 -1.54 117.51 119.47 3krs h ILE 245 Ca 0.05 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.62 3krs h ILE 245 Cb 0.73 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 3krs h ILE 245 CO 0.06 0.43 0.53 0.40 0.00 0.00 0.00 178.15 179.57 3krs h ILE 246 N 0.41 1.02 -0.03 -0.67 2.04 -1.08 -2.37 117.51 116.84 3krs h ILE 246 Ca 0.06 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3krs h ILE 246 Cb 0.76 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3krs h ILE 246 CO 0.06 0.17 -0.30 -0.08 0.00 0.00 0.00 178.15 178.00 3krs h GLU 247 N 0.95 0.05 0.00 2.37 4.81 -0.76 -2.17 114.58 119.83 3krs h GLU 247 Ca 0.38 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 3krs h GLU 247 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3krs h GLU 247 CO -0.18 0.35 -0.06 0.66 -0.73 0.00 0.00 179.01 179.04 3krs h SER 248 N 0.04 0.00 -0.38 1.04 4.64 -0.73 -2.69 113.55 115.47 3krs h SER 248 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3krs h SER 248 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3krs h SER 248 CO 0.04 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3krs n ALA 249 N -2.29 2.45 1.24 5.18 0.00 -0.82 -4.89 120.51 121.38 3krs n ALA 249 Ca -0.02 -0.74 0.10 0.00 0.00 0.00 0.00 53.44 52.77 3krs n ALA 249 Cb 0.16 -0.99 0.59 0.00 0.00 0.00 0.00 19.45 19.22 3krs n ALA 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54