#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfa s VAL 2 N 0.00 5.03 -0.11 2.53 1.01 -1.26 -5.04 120.40 122.55 1kfa s VAL 2 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 1kfa s VAL 2 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1kfa s VAL 2 CO 0.00 -0.44 1.01 -0.69 0.00 0.00 0.00 175.10 174.98 1kfa s VAL 3 N 2.30 4.78 -0.36 2.92 1.01 -1.26 -4.80 120.40 124.99 1kfa s VAL 3 Ca 0.15 2.04 -0.09 0.00 0.00 0.00 0.00 61.98 64.08 1kfa s VAL 3 Cb -0.16 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.94 1kfa s VAL 3 CO 0.15 -0.01 0.16 -0.04 0.00 0.00 0.00 175.10 175.35 1kfa s MET 4 N 2.10 2.71 0.31 2.72 -1.94 -1.26 -2.15 119.30 121.79 1kfa s MET 4 Ca 0.48 -1.14 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 1kfa s MET 4 Cb -0.18 -3.60 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 1kfa s MET 4 CO 0.17 -0.69 0.45 0.99 -0.01 0.00 0.00 175.02 175.93 1kfa s THR 5 N 1.47 4.46 0.02 2.05 2.01 -0.06 -4.07 115.64 121.53 1kfa s THR 5 Ca 0.00 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1kfa s THR 5 Cb -0.19 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1kfa s THR 5 CO 0.05 -0.23 0.02 -1.10 -0.69 0.00 0.00 174.62 172.66 1kfa s GLN 6 N -4.14 0.42 -0.15 4.92 -0.21 -1.26 -0.96 119.66 118.28 1kfa s GLN 6 Ca 0.42 -0.68 -0.10 0.00 0.02 0.00 0.00 55.36 55.02 1kfa s GLN 6 Cb -0.09 0.16 0.05 0.00 1.00 0.00 0.00 33.01 34.12 1kfa s GLN 6 CO 0.31 -0.08 0.37 0.99 -2.12 0.00 0.00 175.29 174.76 1kfa s THR 7 N -1.96 -0.02 0.85 -0.19 2.01 0.26 -4.42 115.64 112.17 1kfa s THR 7 Ca -0.11 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1kfa s THR 7 Cb -0.06 -0.55 0.18 0.00 0.01 0.00 0.00 72.50 72.08 1kfa s THR 7 CO -0.02 0.03 1.17 -2.16 -0.69 0.00 0.00 174.62 172.95 1kfa s PRO 8 N 1.02 1.03 0.27 4.92 0.04 -1.26 -0.14 135.00 140.87 1kfa s PRO 8 Ca -0.07 -0.91 0.14 0.00 0.04 0.00 0.00 61.00 60.21 1kfa s PRO 8 Cb -0.07 -2.10 0.16 0.00 0.04 0.00 0.00 34.50 32.53 1kfa s PRO 8 CO -0.08 -2.01 1.48 -0.07 0.04 0.00 0.00 177.00 176.36 1kfa h LEU 9 N -1.11 0.00 -8.62 -3.56 3.38 -1.86 -3.42 115.31 100.12 1kfa h LEU 9 Ca -0.39 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.27 1kfa h LEU 9 Cb 1.24 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.85 1kfa h LEU 9 CO 0.35 0.57 -0.71 -0.55 0.09 0.00 0.00 178.44 178.19 1kfa s SER 10 N -6.51 1.66 -0.29 -0.43 0.15 -1.26 -1.57 113.70 105.45 1kfa s SER 10 Ca 0.02 -1.02 -0.16 0.00 0.70 0.00 0.00 55.95 55.50 1kfa s SER 10 Cb 0.09 0.01 0.15 0.00 -1.71 0.00 0.00 66.02 64.56 1kfa s SER 10 CO 0.75 -0.37 0.96 -0.22 1.20 0.00 0.00 173.24 175.55 1kfa s LEU 11 N -3.15 -0.56 -0.22 3.45 2.96 -0.35 -4.86 118.68 115.96 1kfa s LEU 11 Ca 0.16 0.86 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1kfa s LEU 11 Cb 0.03 1.77 0.05 0.00 0.50 0.00 0.00 46.19 48.54 1kfa s LEU 11 CO -0.00 -0.13 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.84 1kfa s SER 12 N 1.61 3.70 0.16 3.68 1.04 -1.25 0.20 113.70 122.83 1kfa s SER 12 Ca -0.08 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.43 1kfa s SER 12 Cb -0.04 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.69 1kfa s SER 12 CO -0.16 -0.15 -0.20 0.54 0.98 0.00 0.00 173.24 174.25 1kfa s VAL 13 N 1.30 2.62 0.28 5.02 0.11 0.12 -4.71 120.40 125.14 1kfa s VAL 13 Ca -0.03 -1.78 -0.18 0.00 -2.93 0.00 0.00 61.98 57.06 1kfa s VAL 13 Cb -0.17 -2.23 -0.09 0.00 -1.53 0.00 0.00 36.38 32.36 1kfa s VAL 13 CO -0.08 -0.02 0.75 -0.44 -3.33 0.00 0.00 175.10 171.98 1kfa s SER 14 N -2.46 6.93 0.61 3.54 0.01 -1.26 0.10 113.70 121.17 1kfa s SER 14 Ca 0.20 1.39 -0.19 0.00 1.31 0.00 0.00 55.95 58.66 1kfa s SER 14 Cb -0.09 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1kfa s SER 14 CO 0.10 -0.10 1.11 0.18 0.41 0.00 0.00 173.24 174.94 1kfa n LEU 15 N 0.14 4.62 0.00 2.44 4.77 -1.26 -1.12 117.00 126.60 1kfa n LEU 15 Ca 0.01 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 1kfa n LEU 15 Cb 0.52 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1kfa n LEU 15 CO 0.42 -1.44 0.00 0.61 -1.33 0.00 0.00 177.39 175.65 1kfa n GLY 16 N 1.11 1.69 4.01 -0.72 0.00 -0.59 -4.84 105.19 105.86 1kfa n GLY 16 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1kfa n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kfa s ASP 17 N -3.29 5.44 -0.14 1.61 1.11 -0.27 -4.07 116.67 117.05 1kfa s ASP 17 Ca 0.00 -0.45 -0.04 0.00 0.18 0.00 0.00 52.55 52.24 1kfa s ASP 17 Cb 0.00 -0.47 -0.03 0.00 1.07 0.00 0.00 42.92 43.49 1kfa s ASP 17 CO 0.00 -0.98 0.01 -1.58 1.18 0.00 0.00 175.17 173.80 1kfa s GLN 18 N -4.50 3.57 -0.01 8.23 0.74 -1.26 -0.55 119.66 125.87 1kfa s GLN 18 Ca 0.57 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.58 1kfa s GLN 18 Cb -0.09 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 1kfa s GLN 18 CO 0.35 0.40 -0.06 0.00 -0.55 0.00 0.00 175.29 175.43 1kfa s ALA 19 N -0.03 3.05 -0.19 1.58 0.00 -0.27 -4.93 121.76 120.97 1kfa s ALA 19 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1kfa s ALA 19 Cb -0.13 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.87 1kfa s ALA 19 CO 0.02 0.61 0.02 0.45 0.00 0.00 0.00 175.76 176.85 1kfa s SER 20 N -1.31 2.94 -0.18 0.00 0.15 -1.26 -0.32 113.70 113.73 1kfa s SER 20 Ca 0.16 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 1kfa s SER 20 Cb -0.11 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 1kfa s SER 20 CO 0.07 -0.28 -0.01 -0.63 1.20 0.00 0.00 173.24 173.59 1kfa s ILE 21 N 1.79 4.07 0.11 6.45 -1.09 0.64 -4.63 121.20 128.53 1kfa s ILE 21 Ca -0.01 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1kfa s ILE 21 Cb -0.17 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1kfa s ILE 21 CO -0.07 0.46 0.10 -0.55 -1.23 0.00 0.00 174.94 173.65 1kfa s SER 22 N 0.58 5.57 -0.05 3.58 0.15 0.79 0.11 113.70 124.43 1kfa s SER 22 Ca -0.01 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1kfa s SER 22 Cb -0.14 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1kfa s SER 22 CO 0.02 0.14 -0.03 0.00 1.20 0.00 0.00 173.24 174.57 1kfa s ARG 24 N 1.18 3.49 -0.15 0.00 6.06 -0.14 -0.93 118.95 128.45 1kfa s ARG 24 Ca -0.07 -0.62 -0.07 0.00 -2.50 0.00 0.00 55.73 52.47 1kfa s ARG 24 Cb -0.14 -2.77 -0.04 0.00 0.06 0.00 0.00 34.95 32.06 1kfa s ARG 24 CO -0.01 0.18 0.08 0.45 -2.50 0.00 0.00 175.30 173.49 1kfa s SER 25 N 0.48 5.79 0.22 -2.12 0.15 0.26 -0.89 113.70 117.59 1kfa s SER 25 Ca -0.07 0.19 0.21 0.00 0.70 0.00 0.00 55.95 56.99 1kfa s SER 25 Cb -0.15 -1.92 0.92 0.00 -1.71 0.00 0.00 66.02 63.16 1kfa s SER 25 CO 0.04 0.26 1.64 -1.54 1.20 0.00 0.00 173.24 174.84 1kfa n SER 26 N 2.96 0.53 -3.84 5.45 3.41 -0.92 -4.71 113.62 116.50 1kfa n SER 26 Ca -0.18 0.65 -0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1kfa n SER 26 Cb 0.53 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 1kfa n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1kfa s GLN 27 N -3.29 0.66 0.31 4.33 -0.21 -1.26 -4.97 119.66 115.24 1kfa s GLN 27 Ca 0.04 -0.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.58 1kfa s GLN 27 Cb 0.09 0.28 -0.12 0.00 1.00 0.00 0.00 33.01 34.25 1kfa s GLN 27 CO 0.34 -0.19 1.46 0.45 -2.12 0.00 0.00 175.29 175.23 1kfa n SER 28 N 0.85 3.37 -1.25 5.90 2.88 -1.26 -4.59 113.62 119.53 1kfa n SER 28 Ca -0.20 1.18 0.07 0.00 -1.33 0.00 0.00 58.87 58.59 1kfa n SER 28 Cb 0.58 -1.54 0.26 0.00 -0.75 0.00 0.00 64.21 62.76 1kfa n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1kfa n LEU 29 N 1.46 3.65 -4.64 2.46 4.77 0.51 -4.87 117.00 120.34 1kfa n LEU 29 Ca 0.07 -1.84 -0.43 0.00 -0.03 0.00 0.00 56.01 53.77 1kfa n LEU 29 Cb 0.36 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1kfa n LEU 29 CO 0.63 0.61 1.00 -0.69 -1.33 0.00 0.00 177.39 177.62 1kfa s VAL 30 N -1.79 4.44 0.62 4.08 1.01 -1.26 -3.78 120.40 123.72 1kfa s VAL 30 Ca 0.37 1.69 -0.15 0.00 0.00 0.00 0.00 61.98 63.89 1kfa s VAL 30 Cb 0.24 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1kfa s VAL 30 CO 0.18 -0.37 1.07 -2.28 0.00 0.00 0.00 175.10 173.70 1kfa s HIS 31 N 3.67 2.90 0.60 5.22 2.46 0.19 -4.90 115.29 125.44 1kfa s HIS 31 Ca 0.48 1.51 0.30 0.00 0.47 0.00 0.00 55.06 57.83 1kfa s HIS 31 Cb -0.15 -3.03 1.73 0.00 -0.13 0.00 0.00 32.58 31.00 1kfa s HIS 31 CO 0.15 -1.27 2.13 0.66 -2.47 0.00 0.00 174.74 173.93 1kfa h SER 32 N 0.21 0.00 0.10 9.88 4.64 -1.95 0.33 113.55 126.77 1kfa h SER 32 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1kfa h SER 32 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1kfa h SER 32 CO 0.56 0.00 -0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 1kfa n ASN 33 N -3.70 0.05 0.00 4.97 0.23 -1.26 -4.89 115.26 110.66 1kfa n ASN 33 Ca 0.01 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1kfa n ASN 33 Cb 0.28 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1kfa n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kfa n GLY 34 N 1.06 2.52 3.87 4.83 0.00 0.12 -5.06 105.19 112.53 1kfa n GLY 34 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1kfa n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfa s ASN 35 N -1.38 6.33 -0.36 1.61 0.01 -1.26 -4.69 114.94 115.20 1kfa s ASN 35 Ca 0.00 1.35 0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1kfa s ASN 35 Cb 0.00 -2.43 0.11 0.00 0.41 0.00 0.00 41.25 39.33 1kfa s ASN 35 CO 0.00 -0.74 0.09 -0.89 -1.51 0.00 0.00 177.10 174.05 1kfa s THR 36 N -2.95 2.10 -1.31 1.60 2.01 -1.26 0.56 115.64 116.39 1kfa s THR 36 Ca 0.54 -2.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.07 1kfa s THR 36 Cb -0.11 -2.54 0.14 0.00 0.01 0.00 0.00 72.50 70.00 1kfa s THR 36 CO 0.47 -0.65 1.88 -1.22 -0.69 0.00 0.00 174.62 174.42 1kfa n TYR 37 N 4.16 3.44 -4.88 4.92 4.01 -1.25 -3.75 117.16 123.82 1kfa n TYR 37 Ca 0.03 -2.91 -0.33 0.00 -0.16 0.00 0.00 57.90 54.54 1kfa n TYR 37 Cb 0.40 -2.15 -0.13 0.00 -0.31 0.00 0.00 39.34 37.15 1kfa n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1kfa s LEU 38 N 0.84 2.73 0.13 7.72 2.96 -1.26 -1.00 118.68 130.80 1kfa s LEU 38 Ca 0.42 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1kfa s LEU 38 Cb 0.09 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1kfa s LEU 38 CO -0.01 0.32 0.12 -1.38 -1.32 0.00 0.00 176.35 174.08 1kfa s HIS 39 N -0.59 0.68 -0.13 5.38 0.00 -0.08 -0.64 115.29 119.91 1kfa s HIS 39 Ca 0.09 -1.06 0.02 0.00 -3.00 0.00 0.00 55.06 51.11 1kfa s HIS 39 Cb -0.11 -0.33 0.01 0.00 -4.00 0.00 0.00 32.58 28.14 1kfa s HIS 39 CO 0.01 -0.57 -0.19 -1.58 -1.00 0.00 0.00 174.74 171.41 1kfa s TRP 40 N -4.01 2.39 0.25 0.38 0.52 0.27 0.12 118.94 118.86 1kfa s TRP 40 Ca 0.20 -1.17 0.08 0.00 0.02 0.00 0.00 56.10 55.23 1kfa s TRP 40 Cb 0.06 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 1kfa s TRP 40 CO 0.00 -0.55 0.09 0.71 0.02 0.00 0.00 176.95 177.22 1kfa s TYR 41 N 0.86 2.91 -0.07 -1.98 1.51 0.22 -0.46 117.35 120.34 1kfa s TYR 41 Ca -0.07 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1kfa s TYR 41 Cb -0.15 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1kfa s TYR 41 CO -0.01 0.56 0.03 -1.17 -1.11 0.00 0.00 175.55 173.85 1kfa s LEU 42 N -3.66 0.40 -0.39 -1.29 1.98 -0.68 0.00 118.68 115.04 1kfa s LEU 42 Ca 0.32 -0.06 -0.06 0.00 -2.89 0.00 0.00 54.13 51.43 1kfa s LEU 42 Cb -0.07 -0.30 0.08 0.00 0.66 0.00 0.00 46.19 46.55 1kfa s LEU 42 CO 0.22 -0.23 0.19 -1.58 -1.89 0.00 0.00 176.35 173.06 1kfa s GLN 43 N 2.07 2.43 0.55 1.98 0.74 0.30 -1.63 119.66 126.10 1kfa s GLN 43 Ca 0.05 -1.49 -0.18 0.00 0.05 0.00 0.00 55.36 53.78 1kfa s GLN 43 Cb -0.12 -3.62 -0.05 0.00 1.10 0.00 0.00 33.01 30.32 1kfa s GLN 43 CO -0.05 -0.91 1.07 0.15 -0.55 0.00 0.00 175.29 175.01 1kfa s LYS 44 N 1.33 3.44 -0.04 1.67 1.02 -1.26 -1.84 119.74 124.06 1kfa s LYS 44 Ca 0.03 1.36 -0.39 0.00 0.02 0.00 0.00 55.97 56.99 1kfa s LYS 44 Cb -0.22 -2.04 -0.18 0.00 -0.52 0.00 0.00 37.83 34.87 1kfa s LYS 44 CO 0.00 -0.73 1.35 -2.30 -0.92 0.00 0.00 175.35 172.75 1kfa n PRO 45 N -1.55 0.76 -0.96 -1.68 -0.02 -1.26 -0.67 135.00 129.62 1kfa n PRO 45 Ca 0.10 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1kfa n PRO 45 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1kfa n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfa n GLY 46 N 2.62 0.37 3.67 -1.23 0.00 -1.26 -4.99 105.19 104.37 1kfa n GLY 46 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1kfa n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kfa s GLN 47 N -0.70 2.09 0.27 1.61 -0.21 0.15 -5.16 119.66 117.71 1kfa s GLN 47 Ca 0.00 -2.31 0.06 0.00 0.02 0.00 0.00 55.36 53.13 1kfa s GLN 47 Cb 0.00 -1.23 -0.03 0.00 1.00 0.00 0.00 33.01 32.75 1kfa s GLN 47 CO 0.00 -0.38 0.33 -1.54 -2.12 0.00 0.00 175.29 171.57 1kfa s SER 48 N -3.78 5.96 0.38 5.90 1.04 -1.26 -4.57 113.70 117.37 1kfa s SER 48 Ca 0.13 -0.10 -0.26 0.00 0.48 0.00 0.00 55.95 56.19 1kfa s SER 48 Cb 0.02 -1.57 -0.11 0.00 0.10 0.00 0.00 66.02 64.46 1kfa s SER 48 CO 0.07 -0.14 1.16 -2.65 0.98 0.00 0.00 173.24 172.67 1kfa n PRO 49 N -1.38 1.73 -5.16 4.02 -0.02 -1.26 -4.54 135.00 128.39 1kfa n PRO 49 Ca -0.07 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1kfa n PRO 49 Cb 0.58 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 1kfa n PRO 49 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1kfa s LYS 50 N -1.95 2.62 -0.17 -0.52 -0.14 -0.64 -4.90 119.74 114.02 1kfa s LYS 50 Ca 0.60 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 54.08 1kfa s LYS 50 Cb -0.57 -2.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1kfa s LYS 50 CO 0.59 0.26 1.40 -1.17 -0.76 0.00 0.00 175.35 175.68 1kfa s LEU 51 N 0.11 4.12 -0.22 3.17 2.96 -1.26 -1.68 118.68 125.87 1kfa s LEU 51 Ca -0.10 1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 55.36 1kfa s LEU 51 Cb -0.15 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 1kfa s LEU 51 CO 0.06 -0.92 -0.23 -0.11 -1.32 0.00 0.00 176.35 173.82 1kfa n LEU 52 N 7.17 1.92 -3.80 -0.68 0.00 0.39 -4.59 117.00 117.40 1kfa n LEU 52 Ca 0.15 0.39 -0.13 0.00 0.00 0.00 0.00 56.01 56.42 1kfa n LEU 52 Cb 0.45 -0.83 -0.14 0.00 0.00 0.00 0.00 43.42 42.89 1kfa n LEU 52 CO 0.60 0.13 -0.29 -0.63 0.00 0.00 0.00 177.39 177.19 1kfa s ILE 53 N -2.56 -0.03 0.15 1.96 1.01 -1.08 -1.42 121.20 119.23 1kfa s ILE 53 Ca -0.31 0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1kfa s ILE 53 Cb 0.08 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.39 1kfa s ILE 53 CO 0.45 0.04 -0.15 -0.72 0.00 0.00 0.00 174.94 174.56 1kfa s TYR 54 N 0.61 1.59 -1.27 3.97 1.13 -0.26 0.96 117.35 124.08 1kfa s TYR 54 Ca -0.05 -0.54 -0.02 0.00 -1.41 0.00 0.00 57.07 55.05 1kfa s TYR 54 Cb -0.07 -0.80 0.01 0.00 -1.10 0.00 0.00 41.96 40.00 1kfa s TYR 54 CO -0.02 0.24 0.96 1.63 -2.51 0.00 0.00 175.55 175.85 1kfa n LYS 55 N 0.27 -6.41 0.00 -3.49 4.76 0.18 -1.74 118.16 111.74 1kfa n LYS 55 Ca -0.13 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 1kfa n LYS 55 Cb 0.58 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 28.07 1kfa n LYS 55 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1kfa n VAL 56 N -4.34 0.00 -0.43 -0.18 0.31 0.03 -4.07 118.33 109.66 1kfa n VAL 56 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1kfa n VAL 56 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1kfa n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kfa n SER 57 N 2.21 0.50 -4.70 4.52 3.41 -1.23 -3.31 113.62 115.01 1kfa n SER 57 Ca 0.00 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.24 1kfa n SER 57 Cb 0.00 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1kfa n SER 57 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kfa s SER 58 N -0.03 7.00 -0.31 4.04 0.01 -0.71 -4.53 113.70 119.16 1kfa s SER 58 Ca 0.00 2.03 -0.24 0.00 1.31 0.00 0.00 55.95 59.05 1kfa s SER 58 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1kfa s SER 58 CO 0.00 -0.56 0.82 -0.13 0.41 0.00 0.00 173.24 173.78 1kfa s ARG 59 N 1.54 3.95 -0.64 12.44 0.52 -1.26 -1.11 118.95 134.39 1kfa s ARG 59 Ca 0.60 0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 56.15 1kfa s ARG 59 Cb -0.30 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.37 1kfa s ARG 59 CO 0.27 -0.72 2.18 0.12 0.02 0.00 0.00 175.30 177.17 1kfa s PHE 60 N 3.04 1.37 -0.99 -0.53 5.36 -0.51 -4.73 117.98 120.99 1kfa s PHE 60 Ca 0.34 1.27 -0.16 0.00 -0.96 0.00 0.00 56.93 57.42 1kfa s PHE 60 Cb -0.14 -3.78 -0.30 0.00 -0.34 0.00 0.00 43.02 38.47 1kfa s PHE 60 CO 0.13 -2.18 2.33 0.43 -1.46 0.00 0.00 175.22 174.47 1kfa n SER 61 N 15.19 -0.86 0.03 6.13 7.64 -1.26 -2.38 113.62 138.11 1kfa n SER 61 Ca 0.34 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1kfa n SER 61 Cb 0.51 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1kfa n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfa n GLY 62 N 5.84 -0.67 3.89 0.23 0.00 -1.26 -5.13 105.19 108.08 1kfa n GLY 62 Ca 0.67 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.53 1kfa n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kfa s PHE 63 N -2.00 3.46 0.90 1.61 0.08 -1.00 -5.10 117.98 115.92 1kfa s PHE 63 Ca 0.00 0.82 -0.13 0.00 0.12 0.00 0.00 56.93 57.74 1kfa s PHE 63 Cb 0.00 -2.24 0.13 0.00 -0.57 0.00 0.00 43.02 40.35 1kfa s PHE 63 CO 0.00 0.13 1.17 -1.25 -0.10 0.00 0.00 175.22 175.17 1kfa s PRO 64 N -3.41 1.21 0.22 0.24 0.04 -1.26 -4.85 135.00 127.19 1kfa s PRO 64 Ca 0.47 0.16 0.21 0.00 0.04 0.00 0.00 61.00 61.88 1kfa s PRO 64 Cb -0.11 -1.86 0.93 0.00 0.04 0.00 0.00 34.50 33.50 1kfa s PRO 64 CO 0.27 -2.12 1.65 -0.40 0.04 0.00 0.00 177.00 176.44 1kfa n ASP 65 N -3.69 0.55 0.00 6.66 5.75 -1.26 -2.29 116.55 122.26 1kfa n ASP 65 Ca 0.08 0.65 0.07 0.00 -0.01 0.00 0.00 54.79 55.58 1kfa n ASP 65 Cb 0.60 -0.76 0.35 0.00 -1.03 0.00 0.00 41.12 40.28 1kfa n ASP 65 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1kfa n ARG 66 N -2.12 0.15 -3.60 0.11 1.85 -1.26 -4.35 116.66 107.43 1kfa n ARG 66 Ca 0.02 0.18 -0.39 0.00 -1.00 0.00 0.00 57.85 56.65 1kfa n ARG 66 Cb 0.19 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.99 1kfa n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1kfa s PHE 67 N -2.70 3.20 0.01 2.89 0.08 -0.97 -1.39 117.98 119.10 1kfa s PHE 67 Ca 0.12 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1kfa s PHE 67 Cb 0.10 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1kfa s PHE 67 CO 0.24 -0.37 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.35 1kfa s SER 68 N 1.68 1.08 0.12 1.36 1.04 -0.69 -4.94 113.70 113.35 1kfa s SER 68 Ca 0.06 -0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.32 1kfa s SER 68 Cb -0.17 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1kfa s SER 68 CO 0.09 0.05 -0.22 -0.83 0.98 0.00 0.00 173.24 173.30 1kfa s GLY 69 N -0.56 1.36 0.30 7.32 0.00 -1.26 -0.97 107.32 113.51 1kfa s GLY 69 Ca 0.01 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.20 1kfa s GLY 69 CO 0.00 -1.35 0.86 -1.35 0.00 0.00 0.00 173.10 171.27 1kfa s SER 70 N -2.06 -0.05 0.00 1.64 1.04 -0.05 -4.18 113.70 110.05 1kfa s SER 70 Ca 0.10 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1kfa s SER 70 Cb -0.09 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1kfa s SER 70 CO 0.05 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1kfa n GLY 71 N -0.56 0.55 3.57 7.32 0.00 -1.26 0.01 105.19 114.81 1kfa n GLY 71 Ca -0.06 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 1kfa n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kfa s SER 72 N -3.64 -0.21 0.77 1.61 1.04 -0.10 -4.96 113.70 108.20 1kfa s SER 72 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1kfa s SER 72 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1kfa s SER 72 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1kfa n GLY 73 N -0.17 0.41 0.01 7.32 0.00 -1.26 -1.84 105.19 109.67 1kfa n GLY 73 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1kfa n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfa n THR 74 N 0.00 0.00 -4.90 2.61 -2.24 -1.26 -0.36 114.28 108.12 1kfa n THR 74 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1kfa n THR 74 Cb 0.00 1.01 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1kfa n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kfa s ASP 75 N -0.44 3.15 0.03 3.42 -1.08 -0.76 0.91 116.67 121.90 1kfa s ASP 75 Ca 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1kfa s ASP 75 Cb 0.00 -1.44 -0.02 0.00 -1.46 0.00 0.00 42.92 40.00 1kfa s ASP 75 CO 0.01 0.12 -0.06 -0.36 0.52 0.00 0.00 175.17 175.40 1kfa s PHE 76 N 0.60 0.52 0.03 -5.34 0.40 -0.11 -0.92 117.98 113.15 1kfa s PHE 76 Ca -0.12 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1kfa s PHE 76 Cb -0.17 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 1kfa s PHE 76 CO 0.03 -0.12 -0.07 0.99 0.70 0.00 0.00 175.22 176.75 1kfa s THR 77 N -1.40 0.54 -0.07 0.64 2.01 0.10 0.06 115.64 117.53 1kfa s THR 77 Ca -0.12 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1kfa s THR 77 Cb -0.10 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1kfa s THR 77 CO -0.00 -0.18 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.35 1kfa s LEU 78 N -1.05 1.87 -0.02 4.42 2.96 0.12 -0.87 118.68 126.11 1kfa s LEU 78 Ca -0.05 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 1kfa s LEU 78 Cb -0.07 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1kfa s LEU 78 CO 0.00 0.12 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.40 1kfa s LYS 79 N 0.32 1.73 -0.30 1.98 1.02 -0.14 -0.26 119.74 124.09 1kfa s LYS 79 Ca -0.11 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.15 1kfa s LYS 79 Cb -0.15 -1.66 0.09 0.00 -0.52 0.00 0.00 37.83 35.59 1kfa s LYS 79 CO 0.04 0.44 0.01 0.42 -0.92 0.00 0.00 175.35 175.34 1kfa s ILE 80 N -0.45 1.94 0.63 2.17 1.01 0.57 -1.70 121.20 125.37 1kfa s ILE 80 Ca 0.07 -1.89 -0.10 0.00 0.00 0.00 0.00 60.65 58.73 1kfa s ILE 80 Cb -0.08 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1kfa s ILE 80 CO -0.01 -0.41 1.02 -0.44 0.00 0.00 0.00 174.94 175.10 1kfa s SER 81 N 1.12 5.94 -0.72 3.58 0.01 -0.49 -1.12 113.70 122.02 1kfa s SER 81 Ca 0.04 1.23 -0.09 0.00 1.31 0.00 0.00 55.95 58.44 1kfa s SER 81 Cb -0.19 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1kfa s SER 81 CO -0.09 -1.01 0.47 0.54 0.41 0.00 0.00 173.24 173.56 1kfa n ARG 82 N -2.77 -0.93 -1.68 12.44 1.74 -1.09 -4.80 116.66 119.57 1kfa n ARG 82 Ca 0.06 0.35 -0.38 0.00 -0.77 0.00 0.00 57.85 57.11 1kfa n ARG 82 Cb 0.55 -1.66 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1kfa n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kfa n VAL 83 N -2.77 4.07 -4.31 1.55 0.31 0.28 -4.53 118.33 112.94 1kfa n VAL 83 Ca -0.20 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.46 1kfa n VAL 83 Cb 0.50 -1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 31.96 1kfa n VAL 83 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1kfa s GLU 84 N -2.94 1.22 0.23 5.55 2.02 -1.26 -1.53 118.70 121.99 1kfa s GLU 84 Ca 0.77 -1.51 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 1kfa s GLU 84 Cb -0.41 -0.96 0.35 0.00 0.10 0.00 0.00 34.13 33.21 1kfa s GLU 84 CO 0.46 0.15 1.79 0.00 0.02 0.00 0.00 175.26 177.69 1kfa h ALA 85 N 2.72 1.05 0.00 5.21 0.00 -1.96 0.27 119.26 126.55 1kfa h ALA 85 Ca -0.38 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1kfa h ALA 85 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1kfa h ALA 85 CO 0.61 0.02 0.05 -0.85 0.00 0.00 0.00 179.25 179.08 1kfa n GLU 86 N -4.81 0.11 0.23 0.00 -0.00 -1.26 -1.75 120.64 113.16 1kfa n GLU 86 Ca 0.12 0.60 0.13 0.00 -0.00 0.00 0.00 57.16 58.01 1kfa n GLU 86 Cb 0.26 -1.91 0.25 0.00 -0.00 0.00 0.00 31.44 30.05 1kfa n GLU 86 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1kfa h ASP 87 N 0.00 0.00 -4.05 -1.84 3.32 -1.34 -3.46 116.42 109.05 1kfa h ASP 87 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1kfa h ASP 87 Cb 0.10 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.78 1kfa h ASP 87 CO 0.00 0.00 0.62 -1.48 -1.72 0.00 0.00 179.24 176.66 1kfa s LEU 88 N -6.16 3.87 0.00 1.55 2.34 -0.72 -4.88 118.68 114.68 1kfa s LEU 88 Ca 0.06 2.78 0.00 0.00 0.06 0.00 0.00 54.13 57.03 1kfa s LEU 88 Cb 0.06 -4.25 0.00 0.00 -0.56 0.00 0.00 46.19 41.44 1kfa s LEU 88 CO 0.65 -1.55 0.00 0.61 -1.06 0.00 0.00 176.35 175.00 1kfa n GLY 89 N 0.72 0.21 3.52 -3.48 0.00 -1.10 -4.64 105.19 100.41 1kfa n GLY 89 Ca 0.10 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1kfa n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfa s VAL 90 N -2.72 4.27 -0.20 1.61 1.01 -0.77 -0.98 120.40 122.63 1kfa s VAL 90 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1kfa s VAL 90 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1kfa s VAL 90 CO 0.00 0.44 0.11 -0.31 0.00 0.00 0.00 175.10 175.34 1kfa s TYR 91 N 0.72 3.33 0.05 5.22 1.51 0.28 -0.54 117.35 127.92 1kfa s TYR 91 Ca 0.01 0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1kfa s TYR 91 Cb -0.14 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1kfa s TYR 91 CO 0.02 0.19 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.35 1kfa s PHE 92 N 0.49 2.38 0.17 2.71 0.40 0.10 -0.25 117.98 123.98 1kfa s PHE 92 Ca 0.06 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 1kfa s PHE 92 Cb -0.12 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1kfa s PHE 92 CO -0.00 0.18 0.09 0.00 0.70 0.00 0.00 175.22 176.18 1kfa s SER 94 N -3.07 0.18 -0.01 0.00 0.15 0.12 -1.97 113.70 109.10 1kfa s SER 94 Ca 0.30 -0.85 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1kfa s SER 94 Cb -0.10 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1kfa s SER 94 CO 0.22 -0.76 -0.09 0.00 1.20 0.00 0.00 173.24 173.81 1kfa s GLN 95 N -3.93 0.74 0.00 5.44 1.03 -0.69 -0.90 119.66 121.35 1kfa s GLN 95 Ca 0.12 -0.32 0.00 0.00 0.04 0.00 0.00 55.36 55.20 1kfa s GLN 95 Cb 0.05 -0.71 0.00 0.00 0.03 0.00 0.00 33.01 32.38 1kfa s GLN 95 CO -0.06 0.19 0.45 0.43 -2.54 0.00 0.00 175.29 173.76 1kfa n SER 96 N 2.87 0.88 0.08 12.60 7.64 -0.17 -3.30 113.62 134.22 1kfa n SER 96 Ca -0.14 -1.09 -0.02 0.00 1.01 0.00 0.00 58.87 58.63 1kfa n SER 96 Cb 0.57 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.98 1kfa n SER 96 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1kfa h THR 97 N 0.26 1.31 -4.16 0.44 2.02 -1.87 -3.44 112.91 107.47 1kfa h THR 97 Ca 0.00 -1.52 -0.68 0.00 0.77 0.00 0.00 66.41 64.98 1kfa h THR 97 Cb 0.16 1.67 -0.25 0.00 -1.74 0.00 0.00 68.15 67.99 1kfa h THR 97 CO 0.00 0.46 -0.87 -1.00 0.37 0.00 0.00 175.52 174.47 1kfa s HIS 98 N -4.16 2.25 -0.13 3.16 3.76 -1.26 -4.96 115.29 113.95 1kfa s HIS 98 Ca -0.05 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1kfa s HIS 98 Cb 0.13 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 1kfa s HIS 98 CO 0.78 0.19 -0.07 0.08 -0.85 0.00 0.00 174.74 174.87 1kfa s VAL 99 N -0.89 3.62 0.62 -0.90 1.01 -1.26 -3.17 120.40 119.42 1kfa s VAL 99 Ca 0.12 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1kfa s VAL 99 Cb -0.10 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1kfa s VAL 99 CO 0.03 0.53 1.26 -2.16 0.00 0.00 0.00 175.10 174.75 1kfa s PRO 100 N 0.09 2.77 0.06 2.72 0.04 -1.26 -5.03 135.00 134.39 1kfa s PRO 100 Ca -0.02 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1kfa s PRO 100 Cb -0.14 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1kfa s PRO 100 CO 0.03 -1.40 1.12 -0.06 0.04 0.00 0.00 177.00 176.73 1kfa s PHE 101 N -1.48 3.53 0.14 0.56 2.99 -1.19 -4.79 117.98 117.74 1kfa s PHE 101 Ca 0.80 1.46 0.08 0.00 0.00 0.00 0.00 56.93 59.27 1kfa s PHE 101 Cb -0.34 -3.31 -0.04 0.00 0.00 0.00 0.00 43.02 39.33 1kfa s PHE 101 CO 0.37 -0.81 -0.18 0.95 -0.00 0.00 0.00 175.22 175.55 1kfa s THR 102 N 0.84 1.66 0.29 0.64 -4.23 -1.21 -5.01 115.64 108.63 1kfa s THR 102 Ca 0.55 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1kfa s THR 102 Cb -0.27 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 1kfa s THR 102 CO 0.30 -0.29 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.56 1kfa s PHE 103 N -1.88 2.33 0.49 3.99 0.40 -1.26 -1.69 117.98 120.36 1kfa s PHE 103 Ca 0.12 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1kfa s PHE 103 Cb -0.06 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1kfa s PHE 103 CO 0.05 0.69 0.69 0.20 0.70 0.00 0.00 175.22 177.55 1kfa s GLY 104 N -3.54 1.76 0.52 4.36 0.00 -0.83 -4.48 107.32 105.11 1kfa s GLY 104 Ca 0.31 -1.32 0.23 0.00 0.00 0.00 0.00 44.72 43.94 1kfa s GLY 104 CO 0.16 -1.10 2.11 1.48 0.00 0.00 0.00 173.10 175.75 1kfa h SER 105 N 0.31 0.00 -5.00 1.64 4.64 -1.92 -3.44 113.55 109.79 1kfa h SER 105 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1kfa h SER 105 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1kfa h SER 105 CO 0.52 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1kfa n GLY 106 N -1.07 1.63 2.88 -0.77 0.00 -1.26 -4.99 105.19 101.61 1kfa n GLY 106 Ca -0.02 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 1kfa n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kfa s THR 107 N -2.25 0.60 0.13 2.61 2.01 0.65 -4.76 115.64 114.63 1kfa s THR 107 Ca 0.00 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 1kfa s THR 107 Cb 0.00 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 1kfa s THR 107 CO 0.00 0.26 0.80 -0.75 -0.69 0.00 0.00 174.62 174.24 1kfa s LYS 108 N 1.22 4.57 -0.23 4.92 2.20 -0.61 -0.55 119.74 131.26 1kfa s LYS 108 Ca -0.06 1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 56.71 1kfa s LYS 108 Cb -0.14 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1kfa s LYS 108 CO -0.02 0.45 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.16 1kfa s LEU 109 N -0.71 2.87 0.18 5.43 2.96 -0.15 -1.21 118.68 128.05 1kfa s LEU 109 Ca 0.38 -0.75 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1kfa s LEU 109 Cb -0.22 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1kfa s LEU 109 CO 0.26 -0.08 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.48 1kfa s GLU 110 N 1.33 2.31 -0.13 1.98 2.12 0.53 -2.72 118.70 124.12 1kfa s GLU 110 Ca 0.02 -1.15 -0.07 0.00 0.36 0.00 0.00 54.97 54.13 1kfa s GLU 110 Cb -0.15 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 1kfa s GLU 110 CO -0.06 0.45 0.13 0.42 -0.54 0.00 0.00 175.26 175.66 1kfa s ILE 111 N -1.72 5.44 -0.11 -3.70 1.01 -1.26 0.15 121.20 121.00 1kfa s ILE 111 Ca 0.27 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 1kfa s ILE 111 Cb -0.09 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1kfa s ILE 111 CO 0.18 0.59 0.56 -0.54 0.00 0.00 0.00 174.94 175.73 1kfa s LYS 112 N -0.83 4.35 0.17 2.79 1.02 0.28 -4.76 119.74 122.76 1kfa s LYS 112 Ca 0.14 0.59 0.04 0.00 0.02 0.00 0.00 55.97 56.75 1kfa s LYS 112 Cb -0.12 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1kfa s LYS 112 CO 0.03 0.08 0.13 2.89 -0.92 0.00 0.00 175.35 177.56 1kfa n ARG 113 N 3.88 0.26 -2.68 1.68 1.85 -1.26 -4.45 116.66 115.94 1kfa n ARG 113 Ca -0.05 -1.63 -0.41 0.00 -1.00 0.00 0.00 57.85 54.77 1kfa n ARG 113 Cb 0.51 1.29 -0.05 0.00 -1.05 0.00 0.00 32.46 33.17 1kfa n ARG 113 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kfa s ALA 114 N -2.65 3.31 0.47 2.89 0.00 -1.26 -4.98 121.76 119.53 1kfa s ALA 114 Ca 0.18 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 1kfa s ALA 114 Cb 0.01 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1kfa s ALA 114 CO 0.13 -0.00 0.93 -0.25 0.00 0.00 0.00 175.76 176.56 1kfa n ASP 115 N 2.25 0.83 -3.80 0.00 8.00 -1.26 -4.85 116.55 117.72 1kfa n ASP 115 Ca 0.01 0.96 -0.13 0.00 0.71 0.00 0.00 54.79 56.33 1kfa n ASP 115 Cb 0.48 -1.33 -0.15 0.00 -0.02 0.00 0.00 41.12 40.10 1kfa n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfa s ALA 116 N -1.37 -0.10 0.45 2.24 0.00 -0.66 -4.93 121.76 117.39 1kfa s ALA 116 Ca 0.66 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 1kfa s ALA 116 Cb -0.52 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.27 1kfa s ALA 116 CO 0.55 -0.09 1.07 0.20 0.00 0.00 0.00 175.76 177.49 1kfa s GLY 117 N 0.67 2.67 0.50 0.00 0.00 -1.26 -1.75 107.32 108.15 1kfa s GLY 117 Ca -0.05 0.72 -0.19 0.00 0.00 0.00 0.00 44.72 45.20 1kfa s GLY 117 CO -0.03 1.12 1.01 -4.14 0.00 0.00 0.00 173.10 171.06 1kfa s PRO 118 N -2.82 3.82 -0.87 2.90 0.02 -1.26 -4.58 135.00 132.20 1kfa s PRO 118 Ca 0.63 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1kfa s PRO 118 Cb -0.22 -2.11 0.25 0.00 0.02 0.00 0.00 34.50 32.45 1kfa s PRO 118 CO 0.26 -0.39 0.96 2.41 -0.33 0.00 0.00 177.00 179.90 1kfa n THR 119 N -1.27 3.43 -2.39 0.99 -1.04 -0.78 -4.90 114.28 108.31 1kfa n THR 119 Ca 0.08 -5.36 -0.41 0.00 -2.04 0.00 0.00 64.05 56.32 1kfa n THR 119 Cb 0.53 -2.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.79 1kfa n THR 119 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1kfa s VAL 120 N -2.07 3.43 -0.03 12.58 0.11 -1.21 -3.66 120.40 129.54 1kfa s VAL 120 Ca 0.32 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.71 1kfa s VAL 120 Cb 0.02 -3.85 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1kfa s VAL 120 CO -0.03 0.28 0.00 -0.44 -3.33 0.00 0.00 175.10 171.57 1kfa s SER 121 N -0.42 0.45 0.02 3.54 0.01 -0.46 -4.93 113.70 111.91 1kfa s SER 121 Ca 0.48 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 1kfa s SER 121 Cb -0.33 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1kfa s SER 121 CO 0.41 -0.10 0.19 -0.55 0.41 0.00 0.00 173.24 173.59 1kfa s SER 122 N 1.04 6.31 -0.14 2.44 0.15 -1.26 -1.28 113.70 120.97 1kfa s SER 122 Ca -0.09 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 1kfa s SER 122 Cb -0.13 -1.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1kfa s SER 122 CO -0.02 0.23 0.02 -0.36 1.20 0.00 0.00 173.24 174.31 1kfa s PHE 123 N -1.39 0.88 1.08 3.44 0.08 0.14 -4.99 117.98 117.22 1kfa s PHE 123 Ca 0.30 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 1kfa s PHE 123 Cb -0.13 -0.93 0.24 0.00 -0.57 0.00 0.00 43.02 41.63 1kfa s PHE 123 CO 0.22 -0.48 1.05 -2.30 -0.10 0.00 0.00 175.22 173.60 1kfa n PRO 124 N 5.09 -1.73 -0.67 0.24 -0.02 -1.26 -2.48 135.00 134.17 1kfa n PRO 124 Ca -0.08 -0.46 -0.31 0.00 -2.02 0.00 0.00 63.50 60.62 1kfa n PRO 124 Cb 0.49 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 31.90 1kfa n PRO 124 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kfa n PRO 125 N -4.66 -0.90 -3.67 0.52 -0.02 -1.21 -4.78 135.00 120.28 1kfa n PRO 125 Ca 0.06 -0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.02 1kfa n PRO 125 Cb 0.53 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1kfa n PRO 125 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1kfa s SER 126 N -2.36 6.47 0.22 2.55 1.04 -1.26 -4.98 113.70 115.38 1kfa s SER 126 Ca 0.64 0.56 -0.09 0.00 0.48 0.00 0.00 55.95 57.53 1kfa s SER 126 Cb -0.22 -2.08 0.33 0.00 0.10 0.00 0.00 66.02 64.16 1kfa s SER 126 CO 0.63 0.03 1.67 0.28 0.98 0.00 0.00 173.24 176.83 1kfa h SER 127 N 2.68 -0.21 -0.77 7.02 0.02 -2.00 -0.60 113.55 119.69 1kfa h SER 127 Ca -0.46 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1kfa h SER 127 Cb 1.17 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.92 1kfa h SER 127 CO 0.72 -0.10 0.49 1.05 -1.14 0.00 0.00 176.83 177.85 1kfa h GLU 128 N 0.15 0.93 0.25 3.45 9.09 -2.00 -2.93 114.58 123.52 1kfa h GLU 128 Ca 0.34 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 1kfa h GLU 128 Cb 0.57 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1kfa h GLU 128 CO -0.53 0.62 -0.12 0.37 0.05 0.00 0.00 179.01 179.40 1kfa h GLN 129 N 0.96 -0.33 -0.82 1.06 4.15 -1.44 -2.73 115.11 115.96 1kfa h GLN 129 Ca 0.30 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.98 1kfa h GLN 129 Cb -0.00 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1kfa h GLN 129 CO -0.10 -0.22 0.59 -0.07 -1.93 0.00 0.00 178.83 177.09 1kfa h LEU 130 N -0.34 0.05 -1.46 -2.39 3.38 -1.23 0.53 115.31 113.85 1kfa h LEU 130 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1kfa h LEU 130 Cb 0.27 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1kfa h LEU 130 CO 0.05 0.02 -0.17 0.71 0.09 0.00 0.00 178.44 179.14 1kfa h THR 131 N 0.05 0.52 -0.00 0.22 1.35 -1.33 -1.82 112.91 111.90 1kfa h THR 131 Ca 0.40 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1kfa h THR 131 Cb 1.50 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1kfa h THR 131 CO -0.03 0.17 -0.11 -0.24 -0.25 0.00 0.00 175.52 175.06 1kfa n SER 132 N -3.46 0.33 0.00 5.36 2.88 0.18 -4.89 113.62 114.03 1kfa n SER 132 Ca -0.01 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1kfa n SER 132 Cb 0.35 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1kfa n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfa n GLY 133 N 1.33 0.71 3.55 0.46 0.00 -0.68 -5.03 105.19 105.53 1kfa n GLY 133 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1kfa n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfa s GLY 134 N -1.94 1.73 -0.16 -0.02 0.00 -1.22 -0.77 107.32 104.95 1kfa s GLY 134 Ca 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1kfa s GLY 134 CO 0.00 -1.60 0.19 0.00 0.00 0.00 0.00 173.10 171.69 1kfa s ALA 135 N -1.87 -0.16 -0.07 3.20 0.00 0.20 -3.06 121.76 120.01 1kfa s ALA 135 Ca 0.26 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1kfa s ALA 135 Cb -0.08 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1kfa s ALA 135 CO 0.15 -0.97 -0.25 -1.12 0.00 0.00 0.00 175.76 173.58 1kfa s SER 136 N 2.30 3.09 -0.18 0.00 0.01 -1.26 0.09 113.70 117.74 1kfa s SER 136 Ca 0.05 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 1kfa s SER 136 Cb -0.14 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 1kfa s SER 136 CO -0.09 0.23 -0.10 0.54 0.41 0.00 0.00 173.24 174.22 1kfa s VAL 137 N -0.05 3.05 0.07 3.43 0.11 -0.41 -3.31 120.40 123.28 1kfa s VAL 137 Ca -0.07 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1kfa s VAL 137 Cb -0.15 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1kfa s VAL 137 CO 0.05 0.48 0.13 -0.69 -3.33 0.00 0.00 175.10 171.73 1kfa s VAL 138 N 1.08 4.86 -0.04 2.04 1.01 -1.03 -0.46 120.40 127.86 1kfa s VAL 138 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1kfa s VAL 138 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1kfa s VAL 138 CO -0.02 0.15 0.09 0.00 0.00 0.00 0.00 175.10 175.32 1kfa s PHE 140 N 0.73 2.85 -0.71 0.00 0.08 -0.40 -0.49 117.98 120.03 1kfa s PHE 140 Ca -0.06 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.80 1kfa s PHE 140 Cb -0.08 -1.75 0.18 0.00 -0.57 0.00 0.00 43.02 40.80 1kfa s PHE 140 CO -0.03 0.10 0.53 1.28 -0.10 0.00 0.00 175.22 177.01 1kfa n LEU 141 N 2.76 3.16 -4.86 -0.37 7.99 0.23 -1.35 117.00 124.56 1kfa n LEU 141 Ca -0.18 -5.24 -0.32 0.00 -0.01 0.00 0.00 56.01 50.26 1kfa n LEU 141 Cb 0.53 -0.76 -0.06 0.00 -0.11 0.00 0.00 43.42 43.02 1kfa n LEU 141 CO 0.28 1.78 0.38 0.20 -1.51 0.00 0.00 177.39 178.53 1kfa s ASN 142 N -1.55 6.71 -1.03 -1.43 0.01 -1.24 -0.66 114.94 115.74 1kfa s ASN 142 Ca 0.27 1.18 -0.23 0.00 -0.71 0.00 0.00 52.86 53.37 1kfa s ASN 142 Cb -0.02 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.34 1kfa s ASN 142 CO -0.15 -0.21 0.61 0.59 -1.51 0.00 0.00 177.10 176.43 1kfa n ASN 143 N -0.46 -4.04 -4.62 -1.22 4.13 -0.87 -1.86 115.26 106.32 1kfa n ASN 143 Ca 0.03 -1.14 -0.24 0.00 1.68 0.00 0.00 54.58 54.90 1kfa n ASN 143 Cb 0.53 -1.49 -0.09 0.00 -1.54 0.00 0.00 39.78 37.20 1kfa n ASN 143 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1kfa s PHE 144 N -3.41 2.53 -0.21 3.10 -0.12 0.23 -4.60 117.98 115.51 1kfa s PHE 144 Ca 0.32 -0.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.63 1kfa s PHE 144 Cb -0.18 -1.42 0.06 0.00 -0.63 0.00 0.00 43.02 40.85 1kfa s PHE 144 CO 0.90 0.51 0.53 -0.47 -0.05 0.00 0.00 175.22 176.64 1kfa s TYR 145 N -2.51 -0.68 0.40 3.49 5.04 -0.72 -0.97 117.35 121.40 1kfa s TYR 145 Ca 0.34 1.53 -0.07 0.00 -2.44 0.00 0.00 57.07 56.44 1kfa s TYR 145 Cb -0.01 0.30 0.10 0.00 0.35 0.00 0.00 41.96 42.70 1kfa s TYR 145 CO 0.19 -0.35 0.30 -2.30 -1.34 0.00 0.00 175.55 172.05 1kfa n PRO 146 N 3.45 -2.18 0.24 4.97 -0.02 -1.26 -1.65 135.00 138.54 1kfa n PRO 146 Ca -0.17 -0.49 0.13 0.00 -2.02 0.00 0.00 63.50 60.95 1kfa n PRO 146 Cb 0.56 -0.52 0.42 0.00 -0.02 0.00 0.00 33.50 33.94 1kfa n PRO 146 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1kfa h LYS 147 N 0.00 0.00 -6.47 -0.52 3.64 -1.98 -3.45 116.57 107.79 1kfa h LYS 147 Ca -0.12 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.73 1kfa h LYS 147 Cb 0.39 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1kfa h LYS 147 CO 0.08 0.09 1.03 -0.51 -2.27 0.00 0.00 179.45 177.86 1kfa s ASP 148 N -6.03 6.55 -0.11 4.20 1.01 -1.26 -4.97 116.67 116.07 1kfa s ASP 148 Ca 0.03 2.56 -0.30 0.00 0.71 0.00 0.00 52.55 55.55 1kfa s ASP 148 Cb 0.08 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.55 1kfa s ASP 148 CO 0.62 -0.92 0.91 -0.51 0.21 0.00 0.00 175.17 175.49 1kfa s ILE 149 N 2.64 0.00 -0.04 0.77 2.07 -1.26 -4.58 121.20 120.79 1kfa s ILE 149 Ca 0.76 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 60.03 1kfa s ILE 149 Cb -0.41 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.18 1kfa s ILE 149 CO 0.33 0.00 -0.14 0.21 -1.91 0.00 0.00 174.94 173.43 1kfa s ASN 150 N -1.40 1.88 -0.06 4.50 2.47 -0.59 -4.98 114.94 116.74 1kfa s ASN 150 Ca -0.02 -0.31 0.04 0.00 0.42 0.00 0.00 52.86 52.99 1kfa s ASN 150 Cb -0.00 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 39.21 1kfa s ASN 150 CO 0.01 0.11 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.64 1kfa s VAL 151 N 0.17 2.71 -0.03 -5.21 1.01 -1.26 -0.78 120.40 117.01 1kfa s VAL 151 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1kfa s VAL 151 Cb -0.11 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1kfa s VAL 151 CO 0.02 0.57 0.01 -0.75 0.00 0.00 0.00 175.10 174.96 1kfa s LYS 152 N -0.39 0.21 0.07 2.72 2.20 0.18 -4.96 119.74 119.78 1kfa s LYS 152 Ca 0.04 0.14 -0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1kfa s LYS 152 Cb -0.12 -0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1kfa s LYS 152 CO 0.02 -0.19 0.23 -1.58 -0.36 0.00 0.00 175.35 173.47 1kfa s TRP 153 N 1.29 3.51 -0.10 4.03 0.52 -1.26 0.45 118.94 127.38 1kfa s TRP 153 Ca -0.06 0.26 -0.05 0.00 0.02 0.00 0.00 56.10 56.27 1kfa s TRP 153 Cb -0.13 -1.77 0.05 0.00 -1.15 0.00 0.00 33.47 30.47 1kfa s TRP 153 CO -0.02 0.58 0.22 0.15 0.02 0.00 0.00 176.95 177.89 1kfa s LYS 154 N -2.57 0.16 -0.38 4.98 1.02 -0.77 -1.10 119.74 121.08 1kfa s LYS 154 Ca 0.35 0.55 -0.13 0.00 0.02 0.00 0.00 55.97 56.77 1kfa s LYS 154 Cb -0.13 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.07 1kfa s LYS 154 CO 0.28 -0.20 0.25 0.42 -0.92 0.00 0.00 175.35 175.17 1kfa s ILE 155 N 1.60 5.01 -1.46 2.17 1.01 0.10 -1.51 121.20 128.13 1kfa s ILE 155 Ca -0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1kfa s ILE 155 Cb -0.11 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1kfa s ILE 155 CO -0.08 -0.20 0.80 0.47 0.00 0.00 0.00 174.94 175.93 1kfa n ASP 156 N 5.09 -5.53 0.00 3.58 8.00 0.66 -2.26 116.55 126.09 1kfa n ASP 156 Ca -0.12 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1kfa n ASP 156 Cb 0.47 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 1kfa n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kfa n GLY 157 N -1.62 0.74 3.45 0.44 0.00 -1.26 -5.00 105.19 101.94 1kfa n GLY 157 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1kfa n GLY 157 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kfa s SER 158 N -2.91 4.47 0.33 1.61 0.15 -0.96 -4.99 113.70 111.40 1kfa s SER 158 Ca 0.00 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.15 1kfa s SER 158 Cb 0.00 -1.71 -0.11 0.00 -1.71 0.00 0.00 66.02 62.50 1kfa s SER 158 CO 0.00 0.17 1.48 -0.70 1.20 0.00 0.00 173.24 175.40 1kfa s GLU 159 N 0.34 4.17 -0.04 5.44 2.12 -1.25 0.02 118.70 129.50 1kfa s GLU 159 Ca -0.07 2.48 0.03 0.00 0.36 0.00 0.00 54.97 57.78 1kfa s GLU 159 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1kfa s GLU 159 CO 0.04 -0.50 -0.14 0.50 -0.54 0.00 0.00 175.26 174.63 1kfa s ARG 160 N -1.33 1.54 0.00 4.30 3.00 -0.26 -4.86 118.95 121.35 1kfa s ARG 160 Ca 0.56 -0.48 0.00 0.00 -1.00 0.00 0.00 55.73 54.82 1kfa s ARG 160 Cb -0.45 -1.34 0.00 0.00 0.00 0.00 0.00 34.95 33.16 1kfa s ARG 160 CO 0.54 0.15 0.00 1.04 0.00 0.00 0.00 175.30 177.03 1kfa n GLN 161 N 3.36 2.34 -2.32 5.12 6.02 -1.26 -4.24 117.38 126.41 1kfa n GLN 161 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 1kfa n GLN 161 Cb 0.53 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 30.85 1kfa n GLN 161 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1kfa s ASN 162 N -2.23 6.97 0.00 1.08 -0.87 -1.26 -2.66 114.94 115.98 1kfa s ASN 162 Ca 0.00 2.15 0.00 0.00 -1.57 0.00 0.00 52.86 53.44 1kfa s ASN 162 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1kfa s ASN 162 CO 0.00 -0.54 0.00 0.61 -2.57 0.00 0.00 177.10 174.60 1kfa n GLY 163 N 3.27 0.40 3.23 0.66 0.00 -1.26 -4.79 105.19 106.69 1kfa n GLY 163 Ca 0.10 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 1kfa n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfa s VAL 164 N -2.00 3.68 -0.07 1.61 1.01 -1.09 0.61 120.40 124.15 1kfa s VAL 164 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1kfa s VAL 164 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1kfa s VAL 164 CO 0.00 -0.36 0.10 -0.76 0.00 0.00 0.00 175.10 174.08 1kfa s LEU 165 N 1.33 4.07 0.11 3.92 1.02 -0.09 -4.94 118.68 124.10 1kfa s LEU 165 Ca 0.01 0.29 0.07 0.00 0.02 0.00 0.00 54.13 54.52 1kfa s LEU 165 Cb -0.21 -2.14 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 1kfa s LEU 165 CO 0.01 0.35 -0.17 0.20 0.02 0.00 0.00 176.35 176.75 1kfa s ASN 166 N -1.31 2.19 -0.11 2.29 0.02 -1.26 -1.46 114.94 115.29 1kfa s ASN 166 Ca 0.18 -0.72 -0.14 0.00 -1.02 0.00 0.00 52.86 51.16 1kfa s ASN 166 Cb -0.12 -0.10 0.04 0.00 0.02 0.00 0.00 41.25 41.09 1kfa s ASN 166 CO 0.08 -0.04 0.38 -0.55 0.02 0.00 0.00 177.10 176.99 1kfa s SER 167 N -2.11 -0.36 0.11 -1.22 0.15 -0.95 -5.04 113.70 104.28 1kfa s SER 167 Ca 0.06 0.61 0.08 0.00 0.70 0.00 0.00 55.95 57.40 1kfa s SER 167 Cb -0.08 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1kfa s SER 167 CO 0.04 -0.22 -0.20 0.26 1.20 0.00 0.00 173.24 174.31 1kfa s TRP 168 N -0.20 1.74 0.52 3.44 0.51 -1.26 -1.75 118.94 121.94 1kfa s TRP 168 Ca -0.04 -0.43 0.09 0.00 -2.12 0.00 0.00 56.10 53.60 1kfa s TRP 168 Cb -0.03 -0.94 0.06 0.00 -0.81 0.00 0.00 33.47 31.74 1kfa s TRP 168 CO 0.02 0.21 0.70 0.95 -0.51 0.00 0.00 176.95 178.32 1kfa s THR 169 N -1.31 2.42 0.61 2.01 -4.23 -0.41 -5.01 115.64 109.71 1kfa s THR 169 Ca 0.07 -1.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 1kfa s THR 169 Cb -0.09 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1kfa s THR 169 CO 0.04 0.00 0.90 -1.81 -0.54 0.00 0.00 174.62 173.22 1kfa s ASP 170 N -4.54 5.36 0.34 3.99 1.01 -1.26 -4.66 116.67 116.91 1kfa s ASP 170 Ca 0.58 0.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.10 1kfa s ASP 170 Cb -0.07 -1.45 -0.12 0.00 1.01 0.00 0.00 42.92 42.29 1kfa s ASP 170 CO 0.36 -1.19 1.41 1.67 0.21 0.00 0.00 175.17 177.63 1kfa n GLN 171 N -2.62 2.38 -2.83 8.23 7.27 -1.26 -4.70 117.38 123.85 1kfa n GLN 171 Ca 0.06 0.84 -0.38 0.00 0.07 0.00 0.00 57.00 57.59 1kfa n GLN 171 Cb 0.59 -2.50 -0.06 0.00 2.41 0.00 0.00 30.24 30.67 1kfa n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1kfa s ASP 172 N -0.07 7.37 0.00 1.69 -1.08 0.72 -4.92 116.67 120.37 1kfa s ASP 172 Ca 0.57 1.79 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 1kfa s ASP 172 Cb -0.54 -2.56 0.57 0.00 -1.46 0.00 0.00 42.92 38.94 1kfa s ASP 172 CO 0.60 0.01 1.46 -1.54 0.52 0.00 0.00 175.17 176.21 1kfa n SER 173 N 0.82 1.60 0.07 -0.34 3.41 -1.26 -1.35 113.62 116.58 1kfa n SER 173 Ca 0.00 -1.30 0.09 0.00 -0.26 0.00 0.00 58.87 57.40 1kfa n SER 173 Cb 0.50 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 1kfa n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1kfa n LYS 174 N -0.08 0.62 0.00 4.33 5.02 -1.26 -4.51 118.16 122.27 1kfa n LYS 174 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1kfa n LYS 174 Cb 0.41 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1kfa n LYS 174 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kfa n ASP 175 N -2.65 0.00 -1.87 4.39 5.75 -1.26 -5.01 116.55 115.90 1kfa n ASP 175 Ca -0.03 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.55 1kfa n ASP 175 Cb 0.61 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.63 1kfa n ASP 175 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1kfa n SER 176 N 0.00 -5.55 -4.75 -1.12 7.64 -0.45 -4.97 113.62 104.42 1kfa n SER 176 Ca 0.00 0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 1kfa n SER 176 Cb 0.41 -4.81 0.09 0.00 -1.01 0.00 0.00 64.21 58.89 1kfa n SER 176 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1kfa s THR 177 N -2.84 2.27 0.07 0.44 -1.32 -1.23 -4.68 115.64 108.35 1kfa s THR 177 Ca 0.00 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.98 1kfa s THR 177 Cb 0.00 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 1kfa s THR 177 CO 0.00 0.00 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.00 1kfa s TYR 178 N -3.11 0.98 0.00 9.09 2.02 -0.14 -0.20 117.35 125.99 1kfa s TYR 178 Ca 0.64 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.76 1kfa s TYR 178 Cb -0.07 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1kfa s TYR 178 CO 0.43 -0.01 0.03 -1.12 -1.57 0.00 0.00 175.55 173.31 1kfa s SER 179 N -1.98 0.10 0.03 2.29 0.01 -1.26 0.78 113.70 113.66 1kfa s SER 179 Ca -0.02 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1kfa s SER 179 Cb -0.07 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1kfa s SER 179 CO 0.01 -0.22 -0.05 -0.32 0.41 0.00 0.00 173.24 173.07 1kfa s MET 180 N -0.95 0.39 0.05 12.44 1.75 0.16 -1.29 119.30 131.85 1kfa s MET 180 Ca -0.10 -0.61 0.06 0.00 -1.25 0.00 0.00 55.69 53.79 1kfa s MET 180 Cb -0.06 -0.09 -0.02 0.00 2.84 0.00 0.00 34.83 37.49 1kfa s MET 180 CO -0.00 0.00 -0.17 0.45 -0.65 0.00 0.00 175.02 174.65 1kfa s SER 181 N -1.34 2.06 -0.01 1.11 0.15 -0.72 0.75 113.70 115.70 1kfa s SER 181 Ca -0.11 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.04 1kfa s SER 181 Cb -0.09 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1kfa s SER 181 CO -0.00 0.08 -0.02 -0.55 1.20 0.00 0.00 173.24 173.95 1kfa s SER 182 N -1.24 0.36 -0.09 5.45 0.15 0.35 -2.24 113.70 116.44 1kfa s SER 182 Ca 0.04 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.66 1kfa s SER 182 Cb -0.08 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1kfa s SER 182 CO 0.02 -0.01 -0.11 -0.89 1.20 0.00 0.00 173.24 173.45 1kfa s THR 183 N 0.30 1.16 -0.45 6.45 2.01 -0.54 -0.34 115.64 124.23 1kfa s THR 183 Ca -0.03 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 1kfa s THR 183 Cb -0.05 -1.10 0.09 0.00 0.01 0.00 0.00 72.50 71.45 1kfa s THR 183 CO -0.01 0.37 0.33 -0.22 -0.69 0.00 0.00 174.62 174.41 1kfa s LEU 184 N 1.14 5.48 -0.12 4.42 0.20 0.39 -0.91 118.68 129.28 1kfa s LEU 184 Ca -0.05 -1.63 -0.08 0.00 0.69 0.00 0.00 54.13 53.06 1kfa s LEU 184 Cb -0.14 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 1kfa s LEU 184 CO -0.02 -0.63 0.16 -0.89 -0.29 0.00 0.00 176.35 174.68 1kfa s THR 185 N 1.45 5.46 0.14 3.68 2.01 0.20 -1.29 115.64 127.30 1kfa s THR 185 Ca 0.04 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 1kfa s THR 185 Cb -0.25 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 68.90 1kfa s THR 185 CO 0.02 0.60 0.61 -1.48 -0.69 0.00 0.00 174.62 173.68 1kfa s LEU 186 N -0.92 -0.57 0.75 4.42 0.05 0.11 -4.59 118.68 117.94 1kfa s LEU 186 Ca 0.15 0.06 -0.14 0.00 0.05 0.00 0.00 54.13 54.25 1kfa s LEU 186 Cb -0.12 2.58 0.05 0.00 -2.05 0.00 0.00 46.19 46.65 1kfa s LEU 186 CO 0.04 -0.93 1.21 0.42 -0.55 0.00 0.00 176.35 176.54 1kfa s THR 187 N -3.51 2.24 0.17 5.48 -4.23 -1.26 0.62 115.64 115.16 1kfa s THR 187 Ca 0.00 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 1kfa s THR 187 Cb -0.01 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1kfa s THR 187 CO -0.11 -0.07 1.75 0.50 -0.54 0.00 0.00 174.62 176.15 1kfa h LYS 188 N -0.48 0.31 -0.75 3.99 3.64 -1.17 -0.26 116.57 121.85 1kfa h LYS 188 Ca -0.47 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.02 1kfa h LYS 188 Cb 1.30 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 1kfa h LYS 188 CO 0.49 0.20 -0.31 0.22 -2.27 0.00 0.00 179.45 177.78 1kfa h ASP 189 N 0.32 -1.10 0.32 4.20 1.82 -1.91 0.11 116.42 120.18 1kfa h ASP 189 Ca 0.20 0.25 -0.18 0.00 -0.39 0.00 0.00 57.03 56.91 1kfa h ASP 189 Cb 0.20 0.59 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1kfa h ASP 189 CO -0.21 -0.29 -0.75 -0.08 -1.61 0.00 0.00 179.24 176.30 1kfa h GLU 190 N -0.08 0.36 0.11 0.28 4.81 -1.84 -3.20 114.58 115.02 1kfa h GLU 190 Ca 0.30 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kfa h GLU 190 Cb 0.57 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1kfa h GLU 190 CO -0.80 0.95 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.42 1kfa h TYR 191 N 0.24 -0.24 0.00 0.92 3.20 0.84 -0.89 116.97 121.04 1kfa h TYR 191 Ca -0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1kfa h TYR 191 Cb 1.33 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1kfa h TYR 191 CO 0.04 -0.15 0.00 0.39 -1.64 0.00 0.00 178.16 176.81 1kfa n GLU 192 N -5.21 0.57 0.05 1.82 1.02 0.17 -2.33 120.64 116.74 1kfa n GLU 192 Ca -0.08 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1kfa n GLU 192 Cb 0.13 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1kfa n GLU 192 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1kfa n ARG 193 N -0.66 0.54 -4.38 3.49 3.00 -0.34 -4.94 116.66 113.36 1kfa n ARG 193 Ca 0.04 -0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.63 1kfa n ARG 193 Cb 0.02 -1.68 -0.10 0.00 0.00 0.00 0.00 32.46 30.70 1kfa n ARG 193 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1kfa s HIS 194 N -3.36 2.43 -0.26 -0.14 3.76 -0.98 -5.06 115.29 111.67 1kfa s HIS 194 Ca -0.02 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1kfa s HIS 194 Cb 0.12 -1.16 -0.15 0.00 1.11 0.00 0.00 32.58 32.50 1kfa s HIS 194 CO 0.83 0.56 -0.23 0.00 -0.85 0.00 0.00 174.74 175.05 1kfa n ALA 195 N -0.07 1.25 -2.81 -1.40 0.00 -1.26 -4.68 120.51 111.54 1kfa n ALA 195 Ca -0.10 -1.04 -0.36 0.00 0.00 0.00 0.00 53.44 51.94 1kfa n ALA 195 Cb 0.57 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1kfa n ALA 195 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kfa s SER 196 N -7.03 6.01 -0.04 0.00 0.15 -1.26 -0.63 113.70 110.90 1kfa s SER 196 Ca -0.36 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1kfa s SER 196 Cb 0.11 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 62.52 1kfa s SER 196 CO 0.56 0.35 -0.03 -0.31 1.20 0.00 0.00 173.24 175.00 1kfa s TYR 197 N -0.66 0.67 0.01 3.44 1.51 -0.89 -0.25 117.35 121.18 1kfa s TYR 197 Ca 0.12 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1kfa s TYR 197 Cb -0.12 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1kfa s TYR 197 CO 0.02 -0.19 -0.03 0.99 -1.11 0.00 0.00 175.55 175.23 1kfa s THR 198 N 1.03 0.18 -0.20 -0.71 2.01 -0.57 -2.02 115.64 115.36 1kfa s THR 198 Ca -0.09 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1kfa s THR 198 Cb -0.14 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1kfa s THR 198 CO -0.01 -0.25 -0.11 0.00 -0.69 0.00 0.00 174.62 173.57 1kfa s GLU 200 N 1.30 2.74 -0.15 0.00 2.12 0.17 -1.61 118.70 123.26 1kfa s GLU 200 Ca 0.04 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1kfa s GLU 200 Cb -0.14 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 1kfa s GLU 200 CO -0.06 -0.24 -0.10 0.00 -0.54 0.00 0.00 175.26 174.32 1kfa s ALA 201 N 1.34 2.71 -0.28 6.30 0.00 -0.83 0.52 121.76 131.53 1kfa s ALA 201 Ca 0.04 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1kfa s ALA 201 Cb -0.13 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1kfa s ALA 201 CO -0.12 0.11 0.13 0.00 0.00 0.00 0.00 175.76 175.88 1kfa s ALA 202 N 0.57 3.30 0.08 0.00 0.00 0.04 -0.60 121.76 125.15 1kfa s ALA 202 Ca -0.06 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1kfa s ALA 202 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1kfa s ALA 202 CO 0.03 -0.62 -0.07 -1.58 0.00 0.00 0.00 175.76 173.52 1kfa s HIS 203 N 1.66 0.79 0.17 0.00 2.46 -1.26 -1.55 115.29 117.56 1kfa s HIS 203 Ca 0.06 -0.79 -0.16 0.00 0.47 0.00 0.00 55.06 54.65 1kfa s HIS 203 Cb -0.16 -0.47 0.11 0.00 -0.13 0.00 0.00 32.58 31.93 1kfa s HIS 203 CO 0.07 -0.14 1.70 -0.22 -2.47 0.00 0.00 174.74 173.68 1kfa h LYS 204 N 3.48 0.12 0.00 2.88 3.64 -1.92 -2.83 116.57 121.93 1kfa h LYS 204 Ca -0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1kfa h LYS 204 Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1kfa h LYS 204 CO 0.57 0.08 0.09 0.25 -2.27 0.00 0.00 179.45 178.17 1kfa n THR 205 N -5.17 1.35 -3.92 1.00 -2.24 -1.26 -4.63 114.28 99.41 1kfa n THR 205 Ca 0.03 0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1kfa n THR 205 Cb 0.20 -1.43 -0.13 0.00 -2.10 0.00 0.00 70.33 66.88 1kfa n THR 205 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kfa s SER 206 N -2.64 0.11 -0.03 3.42 0.15 -1.07 -4.97 113.70 108.66 1kfa s SER 206 Ca 0.00 -0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 1kfa s SER 206 Cb 0.00 0.04 -0.08 0.00 -1.71 0.00 0.00 66.02 64.27 1kfa s SER 206 CO 0.00 -0.12 0.63 0.74 1.20 0.00 0.00 173.24 175.69 1kfa h THR 207 N 4.95 0.00 -3.78 6.45 2.02 -1.84 -3.42 112.91 117.29 1kfa h THR 207 Ca -0.27 -0.53 -0.48 0.00 0.77 0.00 0.00 66.41 65.89 1kfa h THR 207 Cb 1.21 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1kfa h THR 207 CO 0.47 0.00 0.20 -0.55 0.37 0.00 0.00 175.52 176.01 1kfa s SER 208 N -4.70 7.01 0.51 4.18 0.15 -1.26 -5.00 113.70 114.59 1kfa s SER 208 Ca -0.08 1.52 -0.22 0.00 0.70 0.00 0.00 55.95 57.87 1kfa s SER 208 Cb 0.01 -2.46 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1kfa s SER 208 CO 0.23 -0.13 1.28 -2.16 1.20 0.00 0.00 173.24 173.65 1kfa s PRO 209 N -2.52 3.37 -0.67 5.44 0.04 -1.26 -4.92 135.00 134.48 1kfa s PRO 209 Ca 0.51 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 1kfa s PRO 209 Cb -0.14 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.13 1kfa s PRO 209 CO 0.19 -0.94 1.22 0.42 0.04 0.00 0.00 177.00 177.92 1kfa s ILE 210 N -1.41 3.89 -0.15 0.56 1.01 0.23 -4.88 121.20 120.45 1kfa s ILE 210 Ca 0.69 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 1kfa s ILE 210 Cb -0.35 -4.82 -0.04 0.00 0.01 0.00 0.00 42.46 37.25 1kfa s ILE 210 CO 0.42 -1.61 0.08 0.00 0.00 0.00 0.00 174.94 173.83 1kfa s ALA 211 N 5.29 3.53 -0.03 9.38 0.00 -1.26 -1.97 121.76 136.69 1kfa s ALA 211 Ca 0.37 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1kfa s ALA 211 Cb -0.08 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1kfa s ALA 211 CO 0.19 0.35 -0.09 0.15 0.00 0.00 0.00 175.76 176.35 1kfa s LYS 212 N -0.16 1.00 0.37 0.00 -0.14 -0.64 -5.03 119.74 115.15 1kfa s LYS 212 Ca 0.08 -0.31 -0.16 0.00 -1.36 0.00 0.00 55.97 54.22 1kfa s LYS 212 Cb -0.12 -0.93 0.05 0.00 -1.68 0.00 0.00 37.83 35.15 1kfa s LYS 212 CO 0.01 0.11 0.77 -1.54 -0.76 0.00 0.00 175.35 173.94 1kfa s SER 213 N 0.22 0.00 0.21 2.83 1.04 -1.26 -0.67 113.70 116.07 1kfa s SER 213 Ca -0.04 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.11 1kfa s SER 213 Cb -0.09 0.83 0.03 0.00 0.10 0.00 0.00 66.02 66.90 1kfa s SER 213 CO 0.01 -1.64 0.59 0.72 0.98 0.00 0.00 173.24 173.90 1kfa s PHE 214 N -2.54 -0.21 -0.13 5.02 -0.12 -0.86 -5.02 117.98 114.12 1kfa s PHE 214 Ca 0.15 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1kfa s PHE 214 Cb -0.05 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1kfa s PHE 214 CO 0.11 -0.98 -0.21 -0.80 -0.05 0.00 0.00 175.22 173.28 1kfa s ASN 215 N -2.86 3.00 0.21 1.98 0.01 -1.26 -2.10 114.94 113.91 1kfa s ASN 215 Ca 0.08 -0.57 -0.10 0.00 -0.71 0.00 0.00 52.86 51.57 1kfa s ASN 215 Cb -0.02 -1.38 0.27 0.00 0.41 0.00 0.00 41.25 40.53 1kfa s ASN 215 CO -0.02 0.09 1.73 -0.09 -1.51 0.00 0.00 177.10 177.30 1kfa h ARG 216 N 7.20 0.35 0.00 -0.60 2.43 -1.15 -3.49 114.38 119.12 1kfa h ARG 216 Ca -0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1kfa h ARG 216 Cb 1.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1kfa h ARG 216 CO 0.53 0.23 0.00 0.00 -1.51 0.00 0.00 179.97 179.22