#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkc s VAL 2 N 0.00 4.79 -0.09 2.12 1.01 -1.26 -4.99 120.40 121.98 3bkc s VAL 2 Ca 0.00 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 3bkc s VAL 2 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3bkc s VAL 2 CO 0.00 -0.06 0.67 -0.22 0.00 0.00 0.00 175.10 175.49 3bkc s LEU 3 N 2.55 4.29 -0.32 3.92 2.96 -1.26 -4.82 118.68 126.00 3bkc s LEU 3 Ca 0.42 1.11 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 3bkc s LEU 3 Cb -0.16 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.53 3bkc s LEU 3 CO 0.11 -0.12 0.10 -0.04 -1.32 0.00 0.00 176.35 175.08 3bkc s MET 4 N 0.92 2.86 -0.37 1.98 -1.94 -1.26 -0.62 119.30 120.87 3bkc s MET 4 Ca 0.35 -1.02 -0.11 0.00 -1.71 0.00 0.00 55.69 53.20 3bkc s MET 4 Cb -0.17 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.25 3bkc s MET 4 CO 0.16 -0.56 0.22 0.99 -0.01 0.00 0.00 175.02 175.82 3bkc s THR 5 N 1.46 4.69 -0.03 2.05 2.01 0.10 -4.23 115.64 121.69 3bkc s THR 5 Ca 0.01 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 3bkc s THR 5 Cb -0.18 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3bkc s THR 5 CO 0.03 -0.22 0.53 -1.10 -0.69 0.00 0.00 174.62 173.17 3bkc s GLN 6 N 1.58 4.26 -0.06 4.92 -0.21 -1.26 -1.22 119.66 127.67 3bkc s GLN 6 Ca 0.03 0.61 0.02 0.00 0.02 0.00 0.00 55.36 56.04 3bkc s GLN 6 Cb -0.19 -3.34 0.01 0.00 1.00 0.00 0.00 33.01 30.49 3bkc s GLN 6 CO 0.07 0.37 -0.12 0.99 -2.12 0.00 0.00 175.29 174.48 3bkc s THR 7 N -0.15 1.12 0.79 -0.19 2.01 0.42 -4.38 115.64 115.26 3bkc s THR 7 Ca 0.28 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 3bkc s THR 7 Cb -0.17 -1.02 0.10 0.00 0.01 0.00 0.00 72.50 71.42 3bkc s THR 7 CO 0.15 0.35 1.12 -2.16 -0.69 0.00 0.00 174.62 173.39 3bkc s PRO 8 N 0.57 1.78 0.22 4.92 0.04 -1.26 -0.92 135.00 140.35 3bkc s PRO 8 Ca -0.13 -0.25 0.17 0.00 0.04 0.00 0.00 61.00 60.84 3bkc s PRO 8 Cb -0.15 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.36 3bkc s PRO 8 CO 0.03 -1.59 1.23 -0.07 0.04 0.00 0.00 177.00 176.65 3bkc h LEU 9 N -0.93 0.00 -7.97 -3.56 3.38 -1.84 -3.42 115.31 100.97 3bkc h LEU 9 Ca -0.44 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.01 3bkc h LEU 9 Cb 1.30 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.71 3bkc h LEU 9 CO 0.56 0.42 -0.81 -0.55 0.09 0.00 0.00 178.44 178.14 3bkc s SER 10 N -6.11 1.80 -0.37 -0.43 0.15 -1.26 -1.17 113.70 106.32 3bkc s SER 10 Ca 0.02 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3bkc s SER 10 Cb 0.08 -0.83 0.12 0.00 -1.71 0.00 0.00 66.02 63.68 3bkc s SER 10 CO 0.76 0.03 0.16 -0.22 1.20 0.00 0.00 173.24 175.17 3bkc s LEU 11 N 0.72 2.35 0.07 3.45 2.96 0.08 -4.94 118.68 123.37 3bkc s LEU 11 Ca -0.14 -2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 51.37 3bkc s LEU 11 Cb -0.16 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.57 3bkc s LEU 11 CO 0.03 -0.35 1.23 -2.84 -1.32 0.00 0.00 176.35 173.10 3bkc s PRO 12 N 1.05 4.41 0.09 0.98 0.02 -1.26 -1.29 135.00 139.01 3bkc s PRO 12 Ca 0.14 1.81 0.03 0.00 0.02 0.00 0.00 61.00 63.00 3bkc s PRO 12 Cb -0.21 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 3bkc s PRO 12 CO -0.12 -0.29 -0.08 0.14 -0.33 0.00 0.00 177.00 176.32 3bkc s VAL 13 N 1.09 0.80 0.15 3.83 -7.23 0.03 -4.72 120.40 114.34 3bkc s VAL 13 Ca 0.59 -1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 3bkc s VAL 13 Cb -0.30 -1.41 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 3bkc s VAL 13 CO 0.29 -0.67 0.64 0.20 -0.31 0.00 0.00 175.10 175.25 3bkc s ASN 14 N -2.60 7.06 0.35 4.85 0.01 -1.26 -0.03 114.94 123.33 3bkc s ASN 14 Ca 0.06 1.32 -0.29 0.00 -0.71 0.00 0.00 52.86 53.25 3bkc s ASN 14 Cb -0.00 -2.38 -0.11 0.00 0.41 0.00 0.00 41.25 39.16 3bkc s ASN 14 CO -0.02 0.16 1.51 -0.76 -1.51 0.00 0.00 177.10 176.48 3bkc s LEU 15 N -1.55 4.33 0.00 0.60 1.02 -1.26 -2.20 118.68 119.61 3bkc s LEU 15 Ca 0.36 3.01 0.00 0.00 0.02 0.00 0.00 54.13 57.52 3bkc s LEU 15 Cb -0.18 -3.66 0.00 0.00 0.02 0.00 0.00 46.19 42.37 3bkc s LEU 15 CO 0.21 -0.87 0.00 0.61 0.02 0.00 0.00 176.35 176.31 3bkc n GLY 16 N 0.91 0.84 3.88 -3.19 0.00 0.27 -4.95 105.19 102.95 3bkc n GLY 16 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3bkc n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bkc s GLU 17 N -0.50 2.70 0.33 1.61 2.02 -0.94 -4.58 118.70 119.34 3bkc s GLU 17 Ca 0.00 -1.35 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 3bkc s GLU 17 Cb 0.00 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.65 3bkc s GLU 17 CO 0.00 -0.03 0.80 1.14 0.02 0.00 0.00 175.26 177.19 3bkc s GLN 18 N -4.08 4.15 0.03 1.61 -2.07 -1.24 -0.75 119.66 117.31 3bkc s GLN 18 Ca 0.45 0.87 0.07 0.00 -1.82 0.00 0.00 55.36 54.93 3bkc s GLN 18 Cb -0.05 -2.48 -0.02 0.00 -1.09 0.00 0.00 33.01 29.36 3bkc s GLN 18 CO 0.28 0.16 -0.22 0.00 -1.32 0.00 0.00 175.29 174.19 3bkc s ALA 19 N -1.92 1.83 -0.01 2.60 0.00 0.05 -4.96 121.76 119.35 3bkc s ALA 19 Ca 0.54 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3bkc s ALA 19 Cb -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3bkc s ALA 19 CO 0.17 0.42 -0.03 -1.54 0.00 0.00 0.00 175.76 174.79 3bkc s SER 20 N -1.01 0.37 -0.04 0.00 1.04 -1.26 -0.73 113.70 112.07 3bkc s SER 20 Ca 0.08 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.50 3bkc s SER 20 Cb -0.09 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 3bkc s SER 20 CO 0.01 0.02 -0.14 -0.63 0.98 0.00 0.00 173.24 173.48 3bkc s ILE 21 N 0.09 1.16 -0.07 -1.02 1.01 0.10 -4.80 121.20 117.67 3bkc s ILE 21 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3bkc s ILE 21 Cb -0.03 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3bkc s ILE 21 CO -0.00 0.34 0.02 -0.55 0.00 0.00 0.00 174.94 174.75 3bkc s SER 22 N 0.10 5.38 -0.06 3.58 0.15 -0.10 -1.18 113.70 121.58 3bkc s SER 22 Ca -0.03 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.77 3bkc s SER 22 Cb -0.10 -1.53 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 3bkc s SER 22 CO 0.01 0.36 -0.03 0.00 1.20 0.00 0.00 173.24 174.78 3bkc s ARG 24 N 1.37 2.78 0.16 0.00 6.06 -0.35 -0.67 118.95 128.30 3bkc s ARG 24 Ca -0.04 -0.89 -0.08 0.00 -2.50 0.00 0.00 55.73 52.23 3bkc s ARG 24 Cb -0.13 -2.22 -0.06 0.00 0.06 0.00 0.00 34.95 32.60 3bkc s ARG 24 CO -0.03 0.28 0.44 -1.54 -2.50 0.00 0.00 175.30 171.96 3bkc s SER 25 N 0.09 6.58 0.50 -2.12 1.04 -0.25 0.02 113.70 119.56 3bkc s SER 25 Ca -0.11 0.76 0.29 0.00 0.48 0.00 0.00 55.95 57.36 3bkc s SER 25 Cb -0.16 -2.16 1.13 0.00 0.10 0.00 0.00 66.02 64.93 3bkc s SER 25 CO 0.06 0.04 1.90 0.77 0.98 0.00 0.00 173.24 176.99 3bkc h SER 26 N 2.95 0.00 -5.40 7.02 4.64 -1.20 -3.46 113.55 118.10 3bkc h SER 26 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 3bkc h SER 26 Cb 1.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 3bkc h SER 26 CO 0.70 0.11 -0.33 0.00 -0.87 0.00 0.00 176.83 176.44 3bkc s GLN 27 N -3.66 1.42 0.28 4.77 -2.07 -1.26 -4.98 119.66 114.17 3bkc s GLN 27 Ca 0.01 -1.43 -0.30 0.00 -1.82 0.00 0.00 55.36 51.82 3bkc s GLN 27 Cb 0.09 0.39 -0.13 0.00 -1.09 0.00 0.00 33.01 32.27 3bkc s GLN 27 CO 0.59 -0.55 1.40 0.45 -1.32 0.00 0.00 175.29 175.86 3bkc n SER 27 N -0.38 2.93 -0.76 12.60 2.88 -1.26 -4.73 113.62 124.90 3bkc n SER 27 Ca 0.00 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.74 3bkc n SER 27 Cb 0.64 -1.47 0.20 0.00 -0.75 0.00 0.00 64.21 62.82 3bkc n SER 27 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3bkc n ILE 27 N 1.40 2.29 -2.30 2.46 -5.35 -1.08 -4.95 119.36 111.83 3bkc n ILE 27 Ca 0.09 -2.71 -0.42 0.00 -0.27 0.00 0.00 62.75 59.44 3bkc n ILE 27 Cb 0.34 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.94 3bkc n ILE 27 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3bkc s VAL 27 N -3.13 3.91 0.75 7.28 1.01 -1.26 -4.00 120.40 124.97 3bkc s VAL 27 Ca 0.40 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 3bkc s VAL 27 Cb 0.36 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.98 3bkc s VAL 27 CO -0.01 -0.02 1.08 -2.28 0.00 0.00 0.00 175.10 173.88 3bkc s HIS 27 N 2.50 2.93 0.53 5.22 2.46 0.23 -4.91 115.29 124.24 3bkc s HIS 27 Ca 0.61 1.29 0.35 0.00 0.47 0.00 0.00 55.06 57.78 3bkc s HIS 27 Cb -0.29 -3.01 1.91 0.00 -0.13 0.00 0.00 32.58 31.06 3bkc s HIS 27 CO 0.24 -1.56 2.23 0.66 -2.47 0.00 0.00 174.74 173.85 3bkc h SER 27 N -0.94 0.00 -0.04 9.88 4.64 -1.89 0.50 113.55 125.70 3bkc h SER 27 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bkc h SER 27 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3bkc h SER 27 CO 0.58 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.11 3bkc n ASN 28 N -3.47 0.43 0.00 4.97 0.23 -1.26 -4.91 115.26 111.25 3bkc n ASN 28 Ca -0.02 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.60 3bkc n ASN 28 Cb 0.13 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3bkc n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bkc n GLY 29 N 0.91 2.21 3.85 4.83 0.00 0.17 -5.03 105.19 112.13 3bkc n GLY 29 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3bkc n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bkc s HIS 30 N -3.07 3.46 -0.34 1.61 3.76 -1.26 -4.70 115.29 114.75 3bkc s HIS 30 Ca 0.00 1.36 -0.02 0.00 -0.15 0.00 0.00 55.06 56.26 3bkc s HIS 30 Cb 0.00 -2.71 0.07 0.00 1.11 0.00 0.00 32.58 31.05 3bkc s HIS 30 CO 0.00 -0.31 0.07 0.99 -0.85 0.00 0.00 174.74 174.64 3bkc s THR 31 N -2.57 3.05 -1.23 1.30 2.01 -1.26 0.74 115.64 117.68 3bkc s THR 31 Ca 0.57 -1.65 -0.13 0.00 0.31 0.00 0.00 61.69 60.79 3bkc s THR 31 Cb -0.10 -2.89 0.17 0.00 0.01 0.00 0.00 72.50 69.68 3bkc s THR 31 CO 0.31 -0.32 1.54 -1.22 -0.69 0.00 0.00 174.62 174.24 3bkc n TYR 32 N 4.59 4.53 -3.95 4.92 4.02 -1.26 -3.93 117.16 126.09 3bkc n TYR 32 Ca -0.08 -3.23 -0.35 0.00 -0.01 0.00 0.00 57.90 54.23 3bkc n TYR 32 Cb 0.43 -2.15 -0.14 0.00 -0.02 0.00 0.00 39.34 37.45 3bkc n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3bkc s LEU 33 N 1.27 3.11 0.19 7.72 2.96 -1.26 -1.27 118.68 131.40 3bkc s LEU 33 Ca 0.42 -0.76 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 3bkc s LEU 33 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3bkc s LEU 33 CO 0.00 -0.10 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.12 3bkc s GLU 34 N 1.36 1.40 -0.06 1.98 2.02 -0.42 -1.04 118.70 123.94 3bkc s GLU 34 Ca 0.02 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 53.56 3bkc s GLU 34 Cb -0.16 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.55 3bkc s GLU 34 CO -0.04 0.31 -0.20 -1.58 0.02 0.00 0.00 175.26 173.76 3bkc s TRP 35 N -2.05 2.03 0.08 1.61 0.52 -0.46 -1.38 118.94 119.29 3bkc s TRP 35 Ca 0.19 -0.64 0.08 0.00 0.02 0.00 0.00 56.10 55.75 3bkc s TRP 35 Cb -0.06 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 3bkc s TRP 35 CO 0.09 -0.23 -0.22 0.71 0.02 0.00 0.00 176.95 177.32 3bkc s TYR 36 N 0.07 1.87 -0.12 -1.98 1.51 -0.25 -1.40 117.35 117.05 3bkc s TYR 36 Ca -0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3bkc s TYR 36 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3bkc s TYR 36 CO 0.04 0.16 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.38 3bkc s LEU 37 N -1.58 2.96 -0.31 -1.29 2.96 0.24 -1.37 118.68 120.29 3bkc s LEU 37 Ca 0.08 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3bkc s LEU 37 Cb -0.09 -1.67 0.07 0.00 0.50 0.00 0.00 46.19 44.99 3bkc s LEU 37 CO 0.03 0.22 0.01 -1.58 -1.32 0.00 0.00 176.35 173.71 3bkc s GLN 38 N 0.02 2.23 0.63 1.98 0.74 0.24 -0.95 119.66 124.55 3bkc s GLN 38 Ca -0.02 -1.42 -0.11 0.00 0.05 0.00 0.00 55.36 53.86 3bkc s GLN 38 Cb -0.14 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 3bkc s GLN 38 CO 0.04 -0.70 1.03 1.03 -0.55 0.00 0.00 175.29 176.14 3bkc s ARG 39 N 1.17 3.52 0.20 1.67 0.52 -1.26 -1.56 118.95 123.20 3bkc s ARG 39 Ca -0.03 0.78 -0.33 0.00 -0.52 0.00 0.00 55.73 55.64 3bkc s ARG 39 Cb -0.20 -2.07 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 3bkc s ARG 39 CO -0.03 -0.64 1.51 -2.30 0.02 0.00 0.00 175.30 173.86 3bkc n PRO 40 N -2.78 2.13 -1.45 3.54 -0.02 -1.26 -1.82 135.00 133.35 3bkc n PRO 40 Ca 0.06 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 3bkc n PRO 40 Cb 0.54 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 3bkc n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bkc n GLY 41 N 2.84 1.57 3.38 -1.23 0.00 -1.26 -5.00 105.19 105.49 3bkc n GLY 41 Ca 0.14 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 3bkc n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bkc s GLN 42 N -3.31 1.43 0.64 1.61 -0.21 -0.75 -5.15 119.66 113.92 3bkc s GLN 42 Ca 0.00 -1.71 -0.10 0.00 0.02 0.00 0.00 55.36 53.57 3bkc s GLN 42 Cb 0.00 -0.96 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 3bkc s GLN 42 CO 0.00 0.02 1.03 -1.12 -2.12 0.00 0.00 175.29 173.10 3bkc s SER 43 N -3.37 5.85 0.56 5.90 0.01 -1.26 -4.64 113.70 116.75 3bkc s SER 43 Ca 0.27 1.20 -0.21 0.00 1.31 0.00 0.00 55.95 58.53 3bkc s SER 43 Cb 0.04 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 3bkc s SER 43 CO 0.10 -1.06 1.29 -2.84 0.41 0.00 0.00 173.24 171.14 3bkc s PRO 44 N -5.20 3.10 -0.02 12.44 0.02 -1.26 -4.55 135.00 139.52 3bkc s PRO 44 Ca 0.56 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.68 3bkc s PRO 44 Cb -0.11 -2.15 -0.00 0.00 0.02 0.00 0.00 34.50 32.25 3bkc s PRO 44 CO 0.52 -1.17 -0.13 -1.59 -0.33 0.00 0.00 177.00 174.30 3bkc s LYS 45 N -3.03 1.20 0.18 5.54 -2.85 -0.12 -4.95 119.74 115.71 3bkc s LYS 45 Ca 0.73 -0.45 -0.31 0.00 -1.00 0.00 0.00 55.97 54.95 3bkc s LYS 45 Cb -0.37 -1.11 -0.09 0.00 -2.06 0.00 0.00 37.83 34.20 3bkc s LYS 45 CO 0.42 0.22 1.42 -1.17 0.10 0.00 0.00 175.35 176.34 3bkc s LEU 46 N -0.07 4.38 -0.11 2.77 2.96 -1.26 -0.59 118.68 126.77 3bkc s LEU 46 Ca 0.00 2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 3bkc s LEU 46 Cb -0.08 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3bkc s LEU 46 CO 0.00 -0.67 -0.20 0.18 -1.32 0.00 0.00 176.35 174.35 3bkc n LEU 47 N 3.26 1.34 -4.00 -0.68 4.77 -0.49 -4.81 117.00 116.39 3bkc n LEU 47 Ca 0.10 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.10 3bkc n LEU 47 Cb 0.41 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 3bkc n LEU 47 CO 0.59 -0.09 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.50 3bkc s ILE 48 N -2.40 0.71 0.23 -0.08 -1.09 -1.16 -1.07 121.20 116.34 3bkc s ILE 48 Ca -0.19 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 3bkc s ILE 48 Cb 0.05 -0.62 -0.05 0.00 -1.58 0.00 0.00 42.46 40.27 3bkc s ILE 48 CO 0.26 0.21 0.02 -0.72 -1.23 0.00 0.00 174.94 173.49 3bkc s TYR 49 N 0.04 1.49 -1.42 3.97 -0.85 0.79 -1.35 117.35 120.01 3bkc s TYR 49 Ca -0.00 -1.01 -0.03 0.00 -0.52 0.00 0.00 57.07 55.51 3bkc s TYR 49 Cb -0.06 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.41 3bkc s TYR 49 CO 0.00 -0.15 0.33 1.04 -1.52 0.00 0.00 175.55 175.25 3bkc n GLN 50 N -0.40 -2.34 0.00 -3.49 6.02 -1.09 -0.64 117.38 115.44 3bkc n GLN 50 Ca -0.04 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 3bkc n GLN 50 Cb 0.64 -4.13 0.00 0.00 1.02 0.00 0.00 30.24 27.77 3bkc n GLN 50 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3bkc n VAL 51 N -4.48 0.00 -0.99 5.09 0.31 -0.20 -4.11 118.33 113.95 3bkc n VAL 51 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3bkc n VAL 51 Cb 0.68 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 3bkc n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bkc n SER 52 N 1.50 0.01 -4.69 4.52 3.41 -1.10 -3.62 113.62 113.66 3bkc n SER 52 Ca 0.00 -1.01 -0.37 0.00 -0.26 0.00 0.00 58.87 57.24 3bkc n SER 52 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3bkc n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3bkc s THR 53 N -0.01 5.30 0.10 6.66 2.01 0.18 -4.56 115.64 125.33 3bkc s THR 53 Ca 0.00 0.44 -0.28 0.00 0.31 0.00 0.00 61.69 62.16 3bkc s THR 53 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 3bkc s THR 53 CO 0.00 0.34 0.87 -0.60 -0.69 0.00 0.00 174.62 174.54 3bkc s ARG 54 N 0.89 4.62 0.34 4.92 3.52 -1.26 -0.15 118.95 131.84 3bkc s ARG 54 Ca 0.13 1.28 -0.21 0.00 -0.13 0.00 0.00 55.73 56.80 3bkc s ARG 54 Cb -0.13 -3.35 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 3bkc s ARG 54 CO 0.05 0.30 0.88 0.12 -0.81 0.00 0.00 175.30 175.83 3bkc s PHE 55 N -0.23 3.51 0.25 5.12 5.36 -0.23 -4.93 117.98 126.82 3bkc s PHE 55 Ca 0.42 1.57 -0.31 0.00 -0.96 0.00 0.00 56.93 57.65 3bkc s PHE 55 Cb -0.22 -2.78 -0.13 0.00 -0.34 0.00 0.00 43.02 39.55 3bkc s PHE 55 CO 0.27 0.11 1.54 -1.13 -1.46 0.00 0.00 175.22 174.55 3bkc n SER 56 N 0.04 3.37 0.00 6.13 3.41 -1.26 -1.40 113.62 123.91 3bkc n SER 56 Ca 0.03 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3bkc n SER 56 Cb 0.52 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 3bkc n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bkc n GLY 57 N 2.53 1.82 3.73 5.00 0.00 -1.26 -5.04 105.19 111.97 3bkc n GLY 57 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3bkc n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkc s VAL 58 N -2.38 4.33 0.45 1.61 1.01 -0.50 -5.00 120.40 119.92 3bkc s VAL 58 Ca 0.00 1.96 -0.24 0.00 0.00 0.00 0.00 61.98 63.70 3bkc s VAL 58 Cb 0.00 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 3bkc s VAL 58 CO 0.00 0.31 1.11 -2.65 0.00 0.00 0.00 175.10 173.87 3bkc n PRO 59 N 2.66 1.50 0.14 2.72 -0.02 -1.26 -4.86 135.00 135.87 3bkc n PRO 59 Ca 0.02 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 3bkc n PRO 59 Cb 0.48 -2.19 0.51 0.00 -0.02 0.00 0.00 33.50 32.28 3bkc n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3bkc n ASP 60 N 0.18 0.49 0.31 2.55 5.75 -1.26 -2.02 116.55 122.55 3bkc n ASP 60 Ca 0.09 0.72 0.18 0.00 -0.01 0.00 0.00 54.79 55.77 3bkc n ASP 60 Cb 0.40 -0.79 1.01 0.00 -1.03 0.00 0.00 41.12 40.71 3bkc n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3bkc h ARG 61 N 0.00 0.00 -5.81 0.11 3.08 -1.95 -3.43 114.38 106.39 3bkc h ARG 61 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3bkc h ARG 61 Cb 0.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 3bkc h ARG 61 CO 0.00 0.01 -0.29 -0.06 -1.07 0.00 0.00 179.97 178.56 3bkc s PHE 62 N -4.40 3.64 0.03 3.04 0.08 -0.85 -1.27 117.98 118.24 3bkc s PHE 62 Ca -0.05 0.80 -0.14 0.00 0.12 0.00 0.00 56.93 57.66 3bkc s PHE 62 Cb 0.14 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3bkc s PHE 62 CO 0.50 0.57 0.31 -1.54 -0.10 0.00 0.00 175.22 174.96 3bkc s SER 63 N -0.69 -0.15 0.06 1.36 1.04 -0.42 -4.94 113.70 109.97 3bkc s SER 63 Ca 0.20 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.58 3bkc s SER 63 Cb -0.15 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3bkc s SER 63 CO 0.09 -0.57 -0.15 -0.83 0.98 0.00 0.00 173.24 172.76 3bkc s GLY 64 N -1.86 0.90 0.24 7.32 0.00 -1.26 -0.96 107.32 111.71 3bkc s GLY 64 Ca -0.07 -0.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 3bkc s GLY 64 CO -0.01 -0.98 0.32 -1.35 0.00 0.00 0.00 173.10 171.08 3bkc s SER 65 N -1.52 0.23 0.00 1.64 1.04 -0.30 -4.23 113.70 110.55 3bkc s SER 65 Ca 0.01 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3bkc s SER 65 Cb -0.09 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3bkc s SER 65 CO 0.02 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3bkc n GLY 66 N -0.37 1.90 3.41 7.32 0.00 -1.26 -1.12 105.19 115.06 3bkc n GLY 66 Ca 0.01 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 3bkc n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bkc s SER 67 N 0.00 -0.50 0.00 1.61 1.04 -0.54 -4.97 113.70 110.34 3bkc s SER 67 Ca 0.00 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.22 3bkc s SER 67 Cb 0.00 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.93 3bkc s SER 67 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3bkc n GLY 68 N 2.11 2.05 0.00 7.32 0.00 -1.26 -2.28 105.19 113.12 3bkc n GLY 68 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3bkc n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bkc n THR 69 N 0.00 0.20 -4.02 2.61 -2.24 -1.26 -2.65 114.28 106.92 3bkc n THR 69 Ca 0.00 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 3bkc n THR 69 Cb 0.00 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 3bkc n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bkc s ASP 70 N -0.20 2.60 0.06 3.42 -1.08 -0.97 -1.09 116.67 119.42 3bkc s ASP 70 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.59 3bkc s ASP 70 Cb 0.00 -1.13 -0.03 0.00 -1.46 0.00 0.00 42.92 40.30 3bkc s ASP 70 CO 0.00 -0.06 -0.07 -0.36 0.52 0.00 0.00 175.17 175.20 3bkc s PHE 71 N 1.49 0.71 -0.03 -5.34 0.08 0.16 -1.47 117.98 113.58 3bkc s PHE 71 Ca 0.04 -0.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 3bkc s PHE 71 Cb -0.13 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.91 3bkc s PHE 71 CO -0.10 -0.11 0.08 0.99 -0.10 0.00 0.00 175.22 175.98 3bkc s THR 72 N -2.09 -0.01 -0.15 0.64 2.01 -0.28 -0.83 115.64 114.94 3bkc s THR 72 Ca -0.04 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3bkc s THR 72 Cb -0.05 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 3bkc s THR 72 CO -0.01 0.02 0.00 -0.22 -0.69 0.00 0.00 174.62 173.71 3bkc s LEU 73 N 0.25 3.49 0.00 4.42 2.96 -0.32 -1.15 118.68 128.33 3bkc s LEU 73 Ca -0.02 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3bkc s LEU 73 Cb -0.03 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3bkc s LEU 73 CO -0.01 0.21 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.88 3bkc s ARG 74 N 0.11 2.09 -0.21 1.98 0.52 -0.13 -0.73 118.95 122.57 3bkc s ARG 74 Ca 0.02 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 3bkc s ARG 74 Cb -0.13 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.28 3bkc s ARG 74 CO 0.02 0.55 -0.16 0.42 0.02 0.00 0.00 175.30 176.15 3bkc s ILE 75 N -0.73 2.09 0.13 1.52 1.01 0.09 -1.30 121.20 124.01 3bkc s ILE 75 Ca 0.11 -1.24 0.20 0.00 0.00 0.00 0.00 60.65 59.73 3bkc s ILE 75 Cb -0.10 -2.03 0.17 0.00 0.01 0.00 0.00 42.46 40.50 3bkc s ILE 75 CO 0.01 0.29 1.75 0.77 0.00 0.00 0.00 174.94 177.76 3bkc h SER 76 N 7.87 0.00 -1.13 3.58 4.64 -1.46 0.17 113.55 127.22 3bkc h SER 76 Ca -0.34 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3bkc h SER 76 Cb 1.10 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.96 3bkc h SER 76 CO 0.56 0.33 -0.30 -0.60 -0.87 0.00 0.00 176.83 175.94 3bkc s ARG 77 N -3.58 0.54 0.07 4.77 3.52 -1.25 -3.60 118.95 119.41 3bkc s ARG 77 Ca 0.01 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 56.23 3bkc s ARG 77 Cb 0.10 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.85 3bkc s ARG 77 CO 0.67 -0.64 0.96 0.08 -0.81 0.00 0.00 175.30 175.56 3bkc s VAL 78 N 2.81 4.62 0.28 7.11 1.01 0.07 -4.82 120.40 131.48 3bkc s VAL 78 Ca 0.19 2.06 0.09 0.00 0.00 0.00 0.00 61.98 64.33 3bkc s VAL 78 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 3bkc s VAL 78 CO -0.21 0.27 0.01 -1.61 0.00 0.00 0.00 175.10 173.56 3bkc s GLU 79 N 0.32 2.27 0.32 2.72 2.02 -1.26 -0.56 118.70 124.52 3bkc s GLU 79 Ca 0.48 -1.47 0.07 0.00 0.02 0.00 0.00 54.97 54.07 3bkc s GLU 79 Cb -0.23 -2.13 0.76 0.00 0.10 0.00 0.00 34.13 32.63 3bkc s GLU 79 CO 0.29 0.32 1.80 0.00 0.02 0.00 0.00 175.26 177.69 3bkc h ALA 80 N 1.85 1.72 0.00 5.21 0.00 -2.00 -0.31 119.26 125.74 3bkc h ALA 80 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bkc h ALA 80 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3bkc h ALA 80 CO 0.61 -0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.95 3bkc n GLU 81 N -4.70 0.62 0.04 0.00 0.28 -1.26 -2.50 120.64 113.12 3bkc n GLU 81 Ca 0.22 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.37 3bkc n GLU 81 Cb 0.55 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.22 3bkc n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3bkc n ASP 82 N -1.12 0.56 -4.76 -1.84 8.00 -0.13 -4.92 116.55 112.34 3bkc n ASP 82 Ca 0.16 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.41 3bkc n ASP 82 Cb 0.14 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3bkc n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bkc s LEU 83 N -3.77 4.49 0.00 0.64 1.43 -1.04 -4.85 118.68 115.57 3bkc s LEU 83 Ca 0.09 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3bkc s LEU 83 Cb 0.15 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3bkc s LEU 83 CO 0.67 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3bkc n GLY 84 N 1.22 -0.29 3.44 -3.19 0.00 -1.05 -4.70 105.19 100.62 3bkc n GLY 84 Ca 0.00 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3bkc n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkc s VAL 85 N -2.91 3.78 -0.16 1.61 1.01 -0.60 -0.80 120.40 122.32 3bkc s VAL 85 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3bkc s VAL 85 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3bkc s VAL 85 CO 0.00 0.46 0.12 -0.31 0.00 0.00 0.00 175.10 175.37 3bkc s TYR 86 N 0.76 3.47 -0.08 5.22 2.02 -0.21 -0.60 117.35 127.94 3bkc s TYR 86 Ca -0.01 0.39 0.03 0.00 -0.37 0.00 0.00 57.07 57.11 3bkc s TYR 86 Cb -0.14 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 3bkc s TYR 86 CO 0.02 0.48 -0.18 0.71 -1.57 0.00 0.00 175.55 175.01 3bkc s TYR 87 N -0.28 1.94 0.53 2.71 1.51 -0.47 -0.30 117.35 122.99 3bkc s TYR 87 Ca 0.11 -0.74 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 3bkc s TYR 87 Cb -0.12 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3bkc s TYR 87 CO 0.01 -0.32 0.82 0.00 -1.11 0.00 0.00 175.55 174.94 3bkc s PHE 89 N -2.82 -0.96 -0.10 0.00 5.36 -0.48 -0.77 117.98 118.21 3bkc s PHE 89 Ca 0.51 1.99 -0.00 0.00 -0.96 0.00 0.00 56.93 58.47 3bkc s PHE 89 Cb -0.10 0.53 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 3bkc s PHE 89 CO 0.43 -0.48 -0.07 1.14 -1.46 0.00 0.00 175.22 174.78 3bkc s GLN 90 N 1.38 3.03 -0.12 10.12 1.03 -0.58 -1.30 119.66 133.22 3bkc s GLN 90 Ca -0.08 -0.57 0.14 0.00 0.04 0.00 0.00 55.36 54.90 3bkc s GLN 90 Cb -0.05 -2.66 0.31 0.00 0.03 0.00 0.00 33.01 30.64 3bkc s GLN 90 CO -0.15 0.51 1.15 0.00 -2.54 0.00 0.00 175.29 174.26 3bkc n ALA 91 N 2.70 2.70 0.02 2.60 0.00 -0.40 -2.26 120.51 125.88 3bkc n ALA 91 Ca -0.18 -2.59 -0.08 0.00 0.00 0.00 0.00 53.44 50.59 3bkc n ALA 91 Cb 0.53 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 3bkc n ALA 91 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bkc h SER 92 N 0.45 0.01 -4.19 0.00 0.02 -1.85 -3.47 113.55 104.52 3bkc h SER 92 Ca -0.03 -0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.45 3bkc h SER 92 Cb 1.16 -0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.42 3bkc h SER 92 CO 0.01 1.02 -0.80 -0.76 -1.14 0.00 0.00 176.83 175.16 3bkc s LEU 93 N -6.42 2.05 -0.07 5.07 1.43 -1.26 -4.84 118.68 114.65 3bkc s LEU 93 Ca -0.02 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 3bkc s LEU 93 Cb 0.09 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3bkc s LEU 93 CO 0.82 0.13 0.51 -0.69 0.23 0.00 0.00 176.35 177.36 3bkc s VAL 94 N -0.40 5.08 0.24 -1.59 1.01 -1.26 -2.83 120.40 120.66 3bkc s VAL 94 Ca 0.04 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3bkc s VAL 94 Cb -0.05 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3bkc s VAL 94 CO -0.00 0.38 1.10 -2.16 0.00 0.00 0.00 175.10 174.43 3bkc s PRO 95 N 0.16 4.62 0.43 2.72 0.04 -1.26 -4.96 135.00 136.75 3bkc s PRO 95 Ca 0.27 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3bkc s PRO 95 Cb -0.16 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 3bkc s PRO 95 CO 0.13 0.15 1.38 -0.51 0.04 0.00 0.00 177.00 178.19 3bkc s LEU 96 N -1.02 4.17 0.00 -3.56 1.43 -1.13 -4.68 118.68 113.89 3bkc s LEU 96 Ca 0.47 2.81 -0.00 0.00 -1.03 0.00 0.00 54.13 56.37 3bkc s LEU 96 Cb -0.31 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.00 3bkc s LEU 96 CO 0.39 -1.02 0.00 0.42 0.23 0.00 0.00 176.35 176.36 3bkc s THR 97 N -1.22 0.02 0.19 5.49 -4.23 -0.96 -5.01 115.64 109.92 3bkc s THR 97 Ca 0.59 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 3bkc s THR 97 Cb -0.41 -0.06 -0.03 0.00 1.34 0.00 0.00 72.50 73.33 3bkc s THR 97 CO 0.53 -0.08 0.31 -0.36 -0.54 0.00 0.00 174.62 174.48 3bkc s PHE 98 N -0.23 3.45 1.05 3.99 0.40 -1.26 -1.52 117.98 123.85 3bkc s PHE 98 Ca -0.03 0.05 -0.13 0.00 -0.60 0.00 0.00 56.93 56.23 3bkc s PHE 98 Cb -0.02 -1.61 0.22 0.00 0.51 0.00 0.00 43.02 42.11 3bkc s PHE 98 CO -0.00 0.48 1.08 0.20 0.70 0.00 0.00 175.22 177.69 3bkc s GLY 99 N -3.55 1.56 0.46 4.36 0.00 0.05 -4.51 107.32 105.67 3bkc s GLY 99 Ca 0.34 -0.39 0.28 0.00 0.00 0.00 0.00 44.72 44.96 3bkc s GLY 99 CO 0.28 0.27 1.80 0.00 0.00 0.00 0.00 173.10 175.46 3bkc h ALA 100 N -2.08 1.00 0.00 3.20 0.00 -1.90 -3.44 119.26 116.03 3bkc h ALA 100 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3bkc h ALA 100 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3bkc h ALA 100 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 3bkc n GLY 101 N 0.54 2.54 3.23 0.00 0.00 -1.26 -5.05 105.19 105.19 3bkc n GLY 101 Ca 0.02 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3bkc n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bkc s THR 102 N -0.99 2.87 -0.46 2.61 2.01 0.59 -4.70 115.64 117.58 3bkc s THR 102 Ca 0.00 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 3bkc s THR 102 Cb 0.00 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.24 3bkc s THR 102 CO 0.00 0.43 0.96 -0.75 -0.69 0.00 0.00 174.62 174.57 3bkc s LYS 103 N 1.40 3.56 -0.25 4.92 2.20 -0.31 -1.04 119.74 130.22 3bkc s LYS 103 Ca 0.05 0.22 -0.27 0.00 -0.36 0.00 0.00 55.97 55.61 3bkc s LYS 103 Cb -0.14 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3bkc s LYS 103 CO -0.07 -1.24 0.93 -1.17 -0.36 0.00 0.00 175.35 173.44 3bkc s LEU 104 N 3.85 4.08 0.27 5.43 2.96 0.02 -0.74 118.68 134.54 3bkc s LEU 104 Ca 0.39 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.48 3bkc s LEU 104 Cb -0.10 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 3bkc s LEU 104 CO 0.27 -0.61 0.05 -1.83 -1.32 0.00 0.00 176.35 172.92 3bkc s GLU 105 N 3.05 1.45 -0.20 1.98 -1.05 -0.41 -2.51 118.70 121.00 3bkc s GLU 105 Ca 0.39 -1.77 -0.25 0.00 -0.15 0.00 0.00 54.97 53.19 3bkc s GLU 105 Cb -0.15 -0.54 -0.01 0.00 -0.44 0.00 0.00 34.13 32.99 3bkc s GLU 105 CO 0.08 -0.20 0.83 -1.17 0.95 0.00 0.00 175.26 175.75 3bkc s LEU 106 N -3.36 4.14 0.47 1.83 0.20 -1.26 -0.79 118.68 119.91 3bkc s LEU 106 Ca 0.34 1.12 -0.23 0.00 0.69 0.00 0.00 54.13 56.05 3bkc s LEU 106 Cb 0.07 -3.22 -0.07 0.00 -0.43 0.00 0.00 46.19 42.55 3bkc s LEU 106 CO 0.12 -0.45 1.24 -0.75 -0.29 0.00 0.00 176.35 176.23 3bkc s LYS 106 N 2.42 3.64 0.30 1.98 2.20 0.96 -4.74 119.74 126.51 3bkc s LYS 106 Ca 0.37 1.97 -0.15 0.00 -0.36 0.00 0.00 55.97 57.79 3bkc s LYS 106 Cb -0.16 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 3bkc s LYS 106 CO 0.10 -0.70 0.64 -0.98 -0.36 0.00 0.00 175.35 174.05 3bkc s ARG 107 N -2.66 1.84 0.60 4.03 1.70 -1.26 -4.82 118.95 118.38 3bkc s ARG 107 Ca 0.64 -1.26 -0.18 0.00 -0.47 0.00 0.00 55.73 54.46 3bkc s ARG 107 Cb -0.33 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 3bkc s ARG 107 CO 0.41 -0.82 1.15 0.00 -1.08 0.00 0.00 175.30 174.96 3bkc s ALA 108 N -3.46 2.55 0.36 7.88 0.00 -1.26 -4.95 121.76 122.88 3bkc s ALA 108 Ca 0.18 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 3bkc s ALA 108 Cb -0.04 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 3bkc s ALA 108 CO 0.10 -1.10 1.39 -0.25 0.00 0.00 0.00 175.76 175.91 3bkc n ASP 109 N -1.77 3.29 -3.82 0.00 8.00 -1.26 -4.79 116.55 116.20 3bkc n ASP 109 Ca 0.12 1.22 -0.18 0.00 0.71 0.00 0.00 54.79 56.65 3bkc n ASP 109 Cb 0.51 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 39.89 3bkc n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bkc s ALA 110 N -1.09 0.42 0.33 2.24 0.00 0.12 -4.92 121.76 118.86 3bkc s ALA 110 Ca 0.54 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.33 3bkc s ALA 110 Cb -0.52 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 3bkc s ALA 110 CO 0.63 -0.13 1.07 0.00 0.00 0.00 0.00 175.76 177.33 3bkc s ALA 111 N 1.17 3.25 0.45 0.00 0.00 -1.26 -1.23 121.76 124.14 3bkc s ALA 111 Ca -0.08 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 3bkc s ALA 111 Cb -0.13 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3bkc s ALA 111 CO -0.02 -0.18 1.21 -1.25 0.00 0.00 0.00 175.76 175.52 3bkc s PRO 112 N -1.93 3.77 -0.30 0.00 0.04 -1.26 -4.54 135.00 130.78 3bkc s PRO 112 Ca 0.51 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 63.29 3bkc s PRO 112 Cb -0.27 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 3bkc s PRO 112 CO 0.35 -0.58 0.43 0.99 0.04 0.00 0.00 177.00 178.22 3bkc s THR 113 N -1.44 5.12 -0.15 1.26 2.01 -0.39 -4.87 115.64 117.18 3bkc s THR 113 Ca 0.62 0.46 -0.03 0.00 0.31 0.00 0.00 61.69 63.05 3bkc s THR 113 Cb -0.32 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3bkc s THR 113 CO 0.39 0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.59 3bkc s VAL 114 N 2.17 3.76 -0.06 3.82 1.01 -1.26 -0.98 120.40 128.86 3bkc s VAL 114 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3bkc s VAL 114 Cb -0.16 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3bkc s VAL 114 CO 0.11 0.50 -0.04 -0.44 0.00 0.00 0.00 175.10 175.24 3bkc s SER 115 N 0.32 1.30 -0.06 3.32 0.01 -0.34 -4.97 113.70 113.27 3bkc s SER 115 Ca -0.05 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 3bkc s SER 115 Cb -0.14 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 3bkc s SER 115 CO 0.03 -0.10 0.01 -0.51 0.41 0.00 0.00 173.24 173.08 3bkc s ILE 116 N 1.31 4.35 -0.14 1.44 2.07 -1.26 -0.97 121.20 128.00 3bkc s ILE 116 Ca -0.05 -0.31 -0.02 0.00 -1.41 0.00 0.00 60.65 58.86 3bkc s ILE 116 Cb -0.14 -2.86 0.04 0.00 0.13 0.00 0.00 42.46 39.64 3bkc s ILE 116 CO -0.02 0.54 0.00 -0.36 -1.91 0.00 0.00 174.94 173.19 3bkc s PHE 117 N -0.95 1.03 0.95 3.50 0.40 0.44 -5.00 117.98 118.35 3bkc s PHE 117 Ca 0.15 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 3bkc s PHE 117 Cb -0.11 -1.00 0.13 0.00 0.51 0.00 0.00 43.02 42.54 3bkc s PHE 117 CO 0.05 -0.50 0.91 -2.30 0.70 0.00 0.00 175.22 174.08 3bkc n PRO 118 N 5.05 -0.56 -1.64 0.24 -0.02 -1.26 -1.89 135.00 134.92 3bkc n PRO 118 Ca -0.09 -0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 3bkc n PRO 118 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3bkc n PRO 118 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3bkc n PRO 119 N -3.56 1.61 -2.10 0.52 -0.02 -1.11 -4.81 135.00 125.53 3bkc n PRO 119 Ca 0.10 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 3bkc n PRO 119 Cb 0.53 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3bkc n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3bkc s SER 120 N -0.56 5.69 0.27 2.55 1.04 -1.26 -4.92 113.70 116.51 3bkc s SER 120 Ca 0.60 1.96 0.01 0.00 0.48 0.00 0.00 55.95 59.00 3bkc s SER 120 Cb -0.59 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 63.58 3bkc s SER 120 CO 0.59 -1.24 1.75 0.28 0.98 0.00 0.00 173.24 175.60 3bkc h SER 121 N 0.68 0.51 -0.51 7.02 0.02 -2.00 -2.26 113.55 117.02 3bkc h SER 121 Ca -0.48 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3bkc h SER 121 Cb 1.24 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3bkc h SER 121 CO 0.57 0.17 0.06 -0.08 -1.14 0.00 0.00 176.83 176.41 3bkc h GLU 122 N 0.58 0.85 -0.63 3.45 4.81 -2.01 -2.72 114.58 118.91 3bkc h GLU 122 Ca 0.50 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3bkc h GLU 122 Cb 0.78 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3bkc h GLU 122 CO -0.41 0.86 0.18 0.37 -0.73 0.00 0.00 179.01 179.28 3bkc h GLN 123 N 0.73 0.97 -0.02 1.92 4.15 -1.77 -2.73 115.11 118.36 3bkc h GLN 123 Ca 0.15 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3bkc h GLN 123 Cb 0.43 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3bkc h GLN 123 CO 0.01 0.85 0.01 -0.07 -1.93 0.00 0.00 178.83 177.70 3bkc h LEU 124 N 0.94 0.00 -0.51 -2.39 3.38 -1.12 -0.78 115.31 114.83 3bkc h LEU 124 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3bkc h LEU 124 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3bkc h LEU 124 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 3bkc n THR 125 N -4.33 1.04 0.89 0.22 -2.24 -1.03 -2.24 114.28 106.58 3bkc n THR 125 Ca -0.03 0.34 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 3bkc n THR 125 Cb 0.10 -1.23 0.10 0.00 -2.10 0.00 0.00 70.33 67.21 3bkc n THR 125 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bkc n SER 126 N -1.93 0.65 0.00 3.42 3.41 -0.30 -4.99 113.62 113.88 3bkc n SER 126 Ca 0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 3bkc n SER 126 Cb 0.16 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3bkc n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bkc n GLY 127 N 1.46 0.76 3.77 5.00 0.00 -0.95 -5.00 105.19 110.24 3bkc n GLY 127 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3bkc n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bkc s GLY 128 N -2.00 1.72 -0.15 -0.02 0.00 -1.26 -1.25 107.32 104.36 3bkc s GLY 128 Ca 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.01 3bkc s GLY 128 CO 0.00 -1.63 0.33 0.00 0.00 0.00 0.00 173.10 171.80 3bkc s ALA 129 N -2.30 -0.80 -0.13 3.20 0.00 0.22 -3.91 121.76 118.05 3bkc s ALA 129 Ca 0.36 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 3bkc s ALA 129 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3bkc s ALA 129 CO 0.24 -0.56 -0.11 -1.12 0.00 0.00 0.00 175.76 174.22 3bkc s SER 130 N 2.16 4.23 -0.20 0.00 0.01 -1.26 0.11 113.70 118.76 3bkc s SER 130 Ca -0.03 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 3bkc s SER 130 Cb -0.11 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 3bkc s SER 130 CO -0.10 0.19 0.09 -0.69 0.41 0.00 0.00 173.24 173.14 3bkc s VAL 131 N 0.22 4.99 -0.08 3.43 1.01 0.65 -2.77 120.40 127.85 3bkc s VAL 131 Ca -0.07 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3bkc s VAL 131 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3bkc s VAL 131 CO 0.04 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 3bkc s VAL 132 N 0.49 2.66 -0.09 2.92 1.01 -0.79 -0.49 120.40 126.12 3bkc s VAL 132 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3bkc s VAL 132 Cb -0.12 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3bkc s VAL 132 CO 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 3bkc s PHE 134 N 0.93 3.31 -0.39 0.00 0.08 -0.14 -1.11 117.98 120.66 3bkc s PHE 134 Ca -0.09 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.23 3bkc s PHE 134 Cb -0.15 -1.93 0.11 0.00 -0.57 0.00 0.00 43.02 40.48 3bkc s PHE 134 CO 0.00 0.42 0.13 -0.51 -0.10 0.00 0.00 175.22 175.17 3bkc s LEU 135 N -0.47 4.03 0.07 -0.37 1.02 0.39 -1.20 118.68 122.15 3bkc s LEU 135 Ca 0.10 -2.34 0.04 0.00 0.02 0.00 0.00 54.13 51.95 3bkc s LEU 135 Cb -0.12 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3bkc s LEU 135 CO 0.02 -0.34 -0.01 0.20 0.02 0.00 0.00 176.35 176.24 3bkc s ASN 136 N 0.66 4.97 -1.24 2.29 0.01 -0.15 -0.67 114.94 120.80 3bkc s ASN 136 Ca 0.13 -0.16 -0.04 0.00 -0.71 0.00 0.00 52.86 52.08 3bkc s ASN 136 Cb -0.21 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.25 3bkc s ASN 136 CO -0.08 0.20 0.76 0.59 -1.51 0.00 0.00 177.10 177.06 3bkc n ASN 137 N 0.80 -2.55 -4.72 -1.22 4.13 -0.74 -1.27 115.26 109.69 3bkc n ASN 137 Ca -0.12 -0.82 -0.23 0.00 1.68 0.00 0.00 54.58 55.09 3bkc n ASN 137 Cb 0.52 -4.17 -0.06 0.00 -1.54 0.00 0.00 39.78 34.53 3bkc n ASN 137 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3bkc s PHE 138 N -3.58 2.88 -0.28 3.10 -0.71 0.08 -4.51 117.98 114.96 3bkc s PHE 138 Ca 0.13 -0.17 -0.20 0.00 -1.04 0.00 0.00 56.93 55.65 3bkc s PHE 138 Cb -0.03 -1.28 0.09 0.00 -1.21 0.00 0.00 43.02 40.58 3bkc s PHE 138 CO 0.81 0.58 0.78 -0.47 -1.34 0.00 0.00 175.22 175.58 3bkc s TYR 139 N -2.23 -0.84 1.20 3.49 5.04 -0.37 -1.04 117.35 122.60 3bkc s TYR 139 Ca 0.32 1.81 -0.20 0.00 -2.44 0.00 0.00 57.07 56.56 3bkc s TYR 139 Cb -0.07 0.45 0.30 0.00 0.35 0.00 0.00 41.96 42.99 3bkc s TYR 139 CO 0.22 -0.41 1.09 -0.35 -1.34 0.00 0.00 175.55 174.75 3bkc n PRO 140 N 3.48 -3.03 0.22 4.97 -0.04 -1.26 0.14 135.00 139.47 3bkc n PRO 140 Ca -0.17 -1.73 0.09 0.00 -0.04 0.00 0.00 63.50 61.65 3bkc n PRO 140 Cb 0.57 -1.60 0.44 0.00 -0.04 0.00 0.00 33.50 32.87 3bkc n PRO 140 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3bkc h LYS 141 N 0.00 0.00 -6.36 0.54 2.10 -1.99 -3.44 116.57 107.41 3bkc h LYS 141 Ca -0.41 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.71 3bkc h LYS 141 Cb 1.23 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.58 3bkc h LYS 141 CO 0.27 0.25 1.18 -0.51 -2.00 0.00 0.00 179.45 178.64 3bkc s ASP 142 N -6.25 6.49 -0.06 7.07 1.11 -1.26 -4.96 116.67 118.82 3bkc s ASP 142 Ca 0.00 2.59 -0.27 0.00 0.18 0.00 0.00 52.55 55.06 3bkc s ASP 142 Cb 0.10 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.62 3bkc s ASP 142 CO 0.65 -1.02 0.61 -0.51 1.18 0.00 0.00 175.17 176.08 3bkc s ILE 143 N 4.10 0.01 -0.06 0.77 2.07 -1.26 -4.63 121.20 122.20 3bkc s ILE 143 Ca 0.84 -0.09 0.06 0.00 -1.41 0.00 0.00 60.65 60.05 3bkc s ILE 143 Cb -0.41 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 3bkc s ILE 143 CO 0.38 -0.05 -0.25 0.20 -1.91 0.00 0.00 174.94 173.31 3bkc s ASN 144 N -1.08 3.08 -0.09 4.50 0.01 -0.69 -4.98 114.94 115.67 3bkc s ASN 144 Ca -0.11 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.57 3bkc s ASN 144 Cb -0.01 -0.87 -0.01 0.00 0.41 0.00 0.00 41.25 40.76 3bkc s ASN 144 CO 0.08 0.24 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.01 3bkc s VAL 145 N -0.14 2.34 -0.06 1.60 1.01 -1.26 -0.60 120.40 123.30 3bkc s VAL 145 Ca -0.04 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3bkc s VAL 145 Cb -0.14 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3bkc s VAL 145 CO 0.04 0.56 -0.19 -0.75 0.00 0.00 0.00 175.10 174.76 3bkc s LYS 146 N 0.15 2.07 -0.13 2.72 2.20 -0.15 -4.98 119.74 121.63 3bkc s LYS 146 Ca -0.12 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 54.73 3bkc s LYS 146 Cb -0.16 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 3bkc s LYS 146 CO 0.06 0.23 0.19 -1.58 -0.36 0.00 0.00 175.35 173.89 3bkc s TRP 147 N 0.14 3.56 -0.09 4.03 0.52 -1.26 -0.86 118.94 124.98 3bkc s TRP 147 Ca -0.07 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.62 3bkc s TRP 147 Cb -0.13 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 3bkc s TRP 147 CO 0.04 0.58 -0.16 0.15 0.02 0.00 0.00 176.95 177.57 3bkc s LYS 148 N -0.58 2.21 -0.15 4.98 1.02 -0.05 -1.26 119.74 125.92 3bkc s LYS 148 Ca 0.15 -0.58 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 3bkc s LYS 148 Cb -0.12 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 3bkc s LYS 148 CO 0.04 0.03 -0.13 0.42 -0.92 0.00 0.00 175.35 174.79 3bkc s ILE 149 N 0.71 2.91 -1.64 2.17 1.01 0.75 -1.29 121.20 125.82 3bkc s ILE 149 Ca -0.13 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 3bkc s ILE 149 Cb -0.16 -2.24 0.12 0.00 0.01 0.00 0.00 42.46 40.20 3bkc s ILE 149 CO 0.03 0.51 0.72 0.47 0.00 0.00 0.00 174.94 176.67 3bkc n ASP 150 N 3.88 -2.79 0.00 3.58 8.00 -0.02 -1.12 116.55 128.07 3bkc n ASP 150 Ca -0.19 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3bkc n ASP 150 Cb 0.52 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.78 3bkc n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bkc n GLY 151 N -1.54 0.89 3.57 0.44 0.00 -1.26 -5.01 105.19 102.28 3bkc n GLY 151 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3bkc n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bkc s SER 152 N -2.87 4.61 0.26 1.61 0.01 -0.28 -5.02 113.70 112.03 3bkc s SER 152 Ca 0.00 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 3bkc s SER 152 Cb 0.00 -1.17 -0.10 0.00 0.21 0.00 0.00 66.02 64.96 3bkc s SER 152 CO 0.00 0.35 1.45 -0.70 0.41 0.00 0.00 173.24 174.75 3bkc s GLU 153 N -0.76 4.26 -0.14 12.44 2.12 -1.26 -0.18 118.70 135.18 3bkc s GLU 153 Ca 0.12 2.33 0.03 0.00 0.36 0.00 0.00 54.97 57.80 3bkc s GLU 153 Cb -0.11 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.19 3bkc s GLU 153 CO 0.01 -0.43 -0.22 0.50 -0.54 0.00 0.00 175.26 174.59 3bkc s ARG 154 N -0.51 3.03 -0.02 4.30 6.06 -0.39 -4.86 118.95 126.57 3bkc s ARG 154 Ca 0.59 -0.85 0.08 0.00 -2.50 0.00 0.00 55.73 53.05 3bkc s ARG 154 Cb -0.42 -2.43 -0.12 0.00 0.06 0.00 0.00 34.95 32.03 3bkc s ARG 154 CO 0.45 0.01 0.17 1.04 -2.50 0.00 0.00 175.30 174.46 3bkc n GLN 155 N 4.02 0.40 -3.51 5.12 6.02 -1.26 -4.28 117.38 123.88 3bkc n GLN 155 Ca -0.20 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.42 3bkc n GLN 155 Cb 0.52 -1.19 -0.04 0.00 1.02 0.00 0.00 30.24 30.54 3bkc n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3bkc s ASN 156 N -3.00 6.48 0.00 1.08 0.02 -1.26 -4.49 114.94 113.77 3bkc s ASN 156 Ca -0.03 0.65 0.00 0.00 -1.02 0.00 0.00 52.86 52.46 3bkc s ASN 156 Cb 0.05 -2.12 0.00 0.00 0.02 0.00 0.00 41.25 39.20 3bkc s ASN 156 CO 0.34 -0.08 0.00 0.61 0.02 0.00 0.00 177.10 177.99 3bkc n GLY 157 N -0.46 0.81 3.45 0.66 0.00 -1.26 -4.91 105.19 103.48 3bkc n GLY 157 Ca -0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3bkc n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bkc s VAL 158 N -2.00 3.43 -0.21 1.61 1.01 -1.26 -0.58 120.40 122.40 3bkc s VAL 158 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3bkc s VAL 158 Cb 0.00 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.97 3bkc s VAL 158 CO 0.00 0.53 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 3bkc s LEU 159 N 0.14 2.44 -0.03 3.92 0.20 -0.05 -4.97 118.68 120.33 3bkc s LEU 159 Ca -0.04 -0.97 0.00 0.00 0.69 0.00 0.00 54.13 53.81 3bkc s LEU 159 Cb -0.14 -1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 44.31 3bkc s LEU 159 CO 0.04 -0.16 0.01 0.20 -0.29 0.00 0.00 176.35 176.15 3bkc s ASN 160 N 1.36 5.22 0.01 3.68 0.01 -1.26 -0.81 114.94 123.15 3bkc s ASN 160 Ca -0.02 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 3bkc s ASN 160 Cb -0.17 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 3bkc s ASN 160 CO -0.08 0.31 0.04 -0.55 -1.51 0.00 0.00 177.10 175.32 3bkc s SER 161 N -1.36 0.14 0.05 -1.22 0.15 0.65 -5.00 113.70 107.11 3bkc s SER 161 Ca 0.18 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.51 3bkc s SER 161 Cb -0.11 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 3bkc s SER 161 CO 0.08 -0.32 -0.11 0.26 1.20 0.00 0.00 173.24 174.35 3bkc s TRP 162 N -1.38 0.95 0.45 3.44 0.51 -1.26 -0.02 118.94 121.64 3bkc s TRP 162 Ca -0.15 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 3bkc s TRP 162 Cb -0.09 -0.55 0.01 0.00 -0.81 0.00 0.00 33.47 32.03 3bkc s TRP 162 CO 0.00 -0.01 0.64 0.95 -0.51 0.00 0.00 176.95 178.03 3bkc s THR 163 N -1.15 3.34 0.78 2.01 -4.23 -0.78 -5.01 115.64 110.59 3bkc s THR 163 Ca -0.04 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 3bkc s THR 163 Cb -0.09 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.68 3bkc s THR 163 CO 0.01 -0.11 1.09 -0.62 -0.54 0.00 0.00 174.62 174.45 3bkc s ASP 164 N -4.31 4.20 0.04 3.99 -1.08 -1.26 -4.52 116.67 113.74 3bkc s ASP 164 Ca 0.52 0.12 -0.37 0.00 -0.52 0.00 0.00 52.55 52.31 3bkc s ASP 164 Cb -0.10 -0.52 -0.16 0.00 -1.46 0.00 0.00 42.92 40.67 3bkc s ASP 164 CO 0.36 -1.99 1.43 1.67 0.52 0.00 0.00 175.17 177.16 3bkc n GLN 165 N -3.11 1.28 -2.25 4.34 7.27 -1.26 -4.72 117.38 118.93 3bkc n GLN 165 Ca 0.12 0.46 -0.39 0.00 0.07 0.00 0.00 57.00 57.26 3bkc n GLN 165 Cb 0.60 -2.13 -0.02 0.00 2.41 0.00 0.00 30.24 31.10 3bkc n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3bkc s ASP 166 N 0.99 6.61 0.42 1.69 2.15 0.13 -4.86 116.67 123.80 3bkc s ASP 166 Ca 0.86 2.44 0.23 0.00 0.43 0.00 0.00 52.55 56.51 3bkc s ASP 166 Cb -0.93 -2.63 0.79 0.00 -0.30 0.00 0.00 42.92 39.85 3bkc s ASP 166 CO 0.48 -0.62 1.77 0.77 -0.17 0.00 0.00 175.17 177.40 3bkc h SER 167 N 2.90 0.00 0.30 -0.34 4.64 -1.90 -0.72 113.55 118.43 3bkc h SER 167 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 3bkc h SER 167 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3bkc h SER 167 CO 0.63 0.24 -1.85 0.29 -0.87 0.00 0.00 176.83 175.28 3bkc n LYS 168 N -3.35 0.70 0.00 4.77 5.02 -1.26 -4.73 118.16 119.31 3bkc n LYS 168 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3bkc n LYS 168 Cb 0.47 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3bkc n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3bkc n ASP 169 N -3.28 0.26 -1.30 4.39 3.85 -1.24 -5.02 116.55 114.21 3bkc n ASP 169 Ca -0.25 -1.06 -0.17 0.00 -0.71 0.00 0.00 54.79 52.61 3bkc n ASP 169 Cb 1.05 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.75 3bkc n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3bkc n SER 170 N -0.03 -5.00 -4.93 -1.12 7.64 -0.28 -4.92 113.62 104.99 3bkc n SER 170 Ca 0.00 0.39 -0.20 0.00 1.01 0.00 0.00 58.87 60.07 3bkc n SER 170 Cb 0.28 -3.96 0.05 0.00 -1.01 0.00 0.00 64.21 59.56 3bkc n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bkc s THR 171 N -2.63 2.53 0.22 0.44 -4.23 -1.26 -4.47 115.64 106.25 3bkc s THR 171 Ca 0.00 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.80 3bkc s THR 171 Cb 0.00 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3bkc s THR 171 CO 0.00 0.00 0.04 -0.31 -0.54 0.00 0.00 174.62 173.81 3bkc s TYR 172 N -2.74 2.85 0.11 3.99 2.02 -0.21 0.17 117.35 123.55 3bkc s TYR 172 Ca 0.60 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3bkc s TYR 172 Cb -0.08 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3bkc s TYR 172 CO 0.39 0.56 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.75 3bkc s SER 173 N -3.41 1.13 -0.07 2.29 0.01 -1.26 -0.74 113.70 111.66 3bkc s SER 173 Ca 0.30 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 56.42 3bkc s SER 173 Cb -0.08 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.28 3bkc s SER 173 CO 0.20 -0.49 0.27 -0.32 0.41 0.00 0.00 173.24 173.31 3bkc s MET 174 N -3.85 0.44 -0.07 12.44 1.75 0.15 -1.87 119.30 128.28 3bkc s MET 174 Ca 0.14 0.13 0.05 0.00 -1.25 0.00 0.00 55.69 54.76 3bkc s MET 174 Cb 0.05 0.20 -0.01 0.00 2.84 0.00 0.00 34.83 37.92 3bkc s MET 174 CO -0.03 -0.09 -0.25 0.45 -0.65 0.00 0.00 175.02 174.46 3bkc s SER 175 N -0.45 3.09 -0.10 1.11 0.15 0.98 -0.46 113.70 118.02 3bkc s SER 175 Ca -0.06 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.10 3bkc s SER 175 Cb -0.04 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.28 3bkc s SER 175 CO 0.02 0.22 -0.16 -0.55 1.20 0.00 0.00 173.24 173.97 3bkc s SER 176 N -0.02 2.43 -0.20 5.45 0.15 -0.27 -0.25 113.70 120.98 3bkc s SER 176 Ca -0.08 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.14 3bkc s SER 176 Cb -0.15 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.08 3bkc s SER 176 CO 0.05 0.04 -0.15 -0.89 1.20 0.00 0.00 173.24 173.50 3bkc s THR 177 N 0.83 2.41 -0.34 6.45 2.01 0.01 -0.86 115.64 126.15 3bkc s THR 177 Ca -0.10 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 3bkc s THR 177 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3bkc s THR 177 CO 0.01 0.43 0.32 -0.22 -0.69 0.00 0.00 174.62 174.46 3bkc s LEU 178 N 1.31 4.43 -0.21 4.42 2.96 0.36 -0.87 118.68 131.08 3bkc s LEU 178 Ca 0.03 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3bkc s LEU 178 Cb -0.14 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3bkc s LEU 178 CO -0.09 -0.29 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.74 3bkc s THR 179 N 1.92 3.76 0.42 3.68 2.01 0.25 -0.26 115.64 127.43 3bkc s THR 179 Ca 0.10 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.79 3bkc s THR 179 Cb -0.17 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 3bkc s THR 179 CO 0.11 0.42 0.06 -0.76 -0.69 0.00 0.00 174.62 173.76 3bkc s LEU 180 N 1.17 2.88 0.68 4.42 1.43 0.12 -4.67 118.68 124.71 3bkc s LEU 180 Ca 0.03 -1.32 -0.14 0.00 -1.03 0.00 0.00 54.13 51.66 3bkc s LEU 180 Cb -0.14 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3bkc s LEU 180 CO 0.01 -0.52 1.10 0.42 0.23 0.00 0.00 176.35 177.59 3bkc s THR 181 N -2.70 3.29 0.23 5.49 -4.23 -1.26 -0.61 115.64 115.85 3bkc s THR 181 Ca 0.34 0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 61.33 3bkc s THR 181 Cb 0.08 -3.07 0.20 0.00 1.34 0.00 0.00 72.50 71.04 3bkc s THR 181 CO 0.18 -0.42 1.85 0.50 -0.54 0.00 0.00 174.62 176.20 3bkc h LYS 182 N -0.24 0.93 -0.35 3.99 3.64 -1.39 -0.27 116.57 122.88 3bkc h LYS 182 Ca -0.46 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3bkc h LYS 182 Cb 1.24 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3bkc h LYS 182 CO 0.54 0.61 0.20 -0.44 -2.27 0.00 0.00 179.45 178.09 3bkc h ASP 183 N 0.95 0.42 -0.52 4.20 3.32 -1.93 -1.32 116.42 121.55 3bkc h ASP 183 Ca 0.35 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3bkc h ASP 183 Cb 0.12 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3bkc h ASP 183 CO -0.15 0.37 0.15 -0.08 -1.72 0.00 0.00 179.24 177.81 3bkc h GLU 184 N 0.44 0.81 -0.66 3.56 4.57 -1.88 -1.45 114.58 119.98 3bkc h GLU 184 Ca 0.12 -0.18 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 3bkc h GLU 184 Cb 0.03 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.41 3bkc h GLU 184 CO -0.02 0.76 0.19 -0.92 -1.18 0.00 0.00 179.01 177.84 3bkc h TYR 185 N 0.71 0.32 -0.00 0.92 3.20 -0.90 -2.56 116.97 118.66 3bkc h TYR 185 Ca 0.17 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3bkc h TYR 185 Cb 0.29 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3bkc h TYR 185 CO 0.02 0.01 -0.06 0.39 -1.64 0.00 0.00 178.16 176.87 3bkc n GLU 186 N -5.08 0.38 0.00 1.82 1.02 -0.51 -2.71 120.64 115.56 3bkc n GLU 186 Ca 0.11 -0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 3bkc n GLU 186 Cb 0.35 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.81 3bkc n GLU 186 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bkc n ARG 187 N -1.25 1.33 -4.27 3.49 1.74 -0.58 -4.92 116.66 112.21 3bkc n ARG 187 Ca 0.12 -0.71 -0.15 0.00 -0.77 0.00 0.00 57.85 56.34 3bkc n ARG 187 Cb 0.28 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 3bkc n ARG 187 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3bkc s HIS 188 N -2.16 1.31 0.00 -1.55 3.76 -1.10 -5.08 115.29 110.47 3bkc s HIS 188 Ca 0.35 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 3bkc s HIS 188 Cb 0.21 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 33.17 3bkc s HIS 188 CO 0.39 -0.06 0.00 0.09 -0.85 0.00 0.00 174.74 174.31 3bkc n ASN 189 N -0.27 2.60 -4.62 1.40 4.13 -1.26 -4.83 115.26 112.41 3bkc n ASN 189 Ca -0.08 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.85 3bkc n ASN 189 Cb 0.62 0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.82 3bkc n ASN 189 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3bkc s SER 190 N -3.35 4.82 -0.06 6.41 1.04 -1.26 -0.44 113.70 120.88 3bkc s SER 190 Ca 0.00 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 3bkc s SER 190 Cb 0.00 -1.24 0.03 0.00 0.10 0.00 0.00 66.02 64.91 3bkc s SER 190 CO 0.00 0.35 -0.00 -0.31 0.98 0.00 0.00 173.24 174.25 3bkc s TYR 191 N -0.88 0.59 -0.03 5.02 2.02 -0.64 -0.84 117.35 122.58 3bkc s TYR 191 Ca 0.14 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3bkc s TYR 191 Cb -0.11 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 3bkc s TYR 191 CO 0.03 -0.26 -0.03 0.99 -1.57 0.00 0.00 175.55 174.72 3bkc s THR 192 N 1.60 0.37 -0.22 -0.71 2.01 -0.41 -1.09 115.64 117.17 3bkc s THR 192 Ca -0.01 -0.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 3bkc s THR 192 Cb -0.13 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 3bkc s THR 192 CO -0.03 0.17 0.03 0.00 -0.69 0.00 0.00 174.62 174.09 3bkc s GLU 194 N 1.32 3.04 -0.14 0.00 2.02 -0.04 -1.10 118.70 123.80 3bkc s GLU 194 Ca 0.04 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 3bkc s GLU 194 Cb -0.15 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 3bkc s GLU 194 CO 0.02 -0.07 -0.09 0.00 0.02 0.00 0.00 175.26 175.14 3bkc s ALA 195 N 0.95 2.79 -0.20 5.21 0.00 0.82 -0.97 121.76 130.36 3bkc s ALA 195 Ca -0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3bkc s ALA 195 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 3bkc s ALA 195 CO -0.05 0.25 -0.01 0.99 0.00 0.00 0.00 175.76 176.95 3bkc s THR 196 N 0.31 3.93 -0.10 0.00 2.01 0.23 -0.51 115.64 121.51 3bkc s THR 196 Ca -0.07 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 3bkc s THR 196 Cb -0.15 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3bkc s THR 196 CO 0.04 0.44 0.45 -2.28 -0.69 0.00 0.00 174.62 172.58 3bkc s HIS 197 N 0.93 -0.43 0.07 4.92 2.46 -1.26 -1.71 115.29 120.27 3bkc s HIS 197 Ca 0.01 0.92 0.29 0.00 0.47 0.00 0.00 55.06 56.75 3bkc s HIS 197 Cb -0.14 0.19 1.56 0.00 -0.13 0.00 0.00 32.58 34.06 3bkc s HIS 197 CO 0.02 -0.35 1.88 1.57 -2.47 0.00 0.00 174.74 175.38 3bkc h LYS 198 N 4.52 0.00 0.00 2.88 2.10 -1.95 -2.21 116.57 121.90 3bkc h LYS 198 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3bkc h LYS 198 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3bkc h LYS 198 CO 0.30 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.00 3bkc n THR 199 N -2.51 0.08 -3.71 0.07 -2.24 -1.26 -4.70 114.28 100.01 3bkc n THR 199 Ca -0.02 0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 3bkc n THR 199 Cb 0.05 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.49 3bkc n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3bkc s SER 200 N -2.13 -0.47 0.31 3.42 0.15 -0.83 -4.97 113.70 109.19 3bkc s SER 200 Ca 0.30 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.79 3bkc s SER 200 Cb 0.15 0.77 0.49 0.00 -1.71 0.00 0.00 66.02 65.72 3bkc s SER 200 CO 0.27 -0.17 1.88 0.71 1.20 0.00 0.00 173.24 177.12 3bkc h THR 201 N 5.19 1.21 -3.06 6.45 1.35 -1.84 -3.42 112.91 118.78 3bkc h THR 201 Ca -0.33 -0.70 -0.60 0.00 -0.55 0.00 0.00 66.41 64.23 3bkc h THR 201 Cb 1.18 0.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 3bkc h THR 201 CO 0.29 0.26 -0.31 -0.94 -0.25 0.00 0.00 175.52 174.57 3bkc s SER 202 N -6.59 6.55 0.68 5.36 1.04 -1.26 -5.06 113.70 114.42 3bkc s SER 202 Ca -0.09 0.66 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 3bkc s SER 202 Cb 0.16 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 64.17 3bkc s SER 202 CO 0.79 0.16 1.28 -2.84 0.98 0.00 0.00 173.24 173.60 3bkc s PRO 203 N -2.08 2.35 -0.13 4.02 0.02 -1.26 -4.88 135.00 133.04 3bkc s PRO 203 Ca 0.34 2.00 -0.22 0.00 0.02 0.00 0.00 61.00 63.14 3bkc s PRO 203 Cb -0.13 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3bkc s PRO 203 CO 0.19 -1.74 0.64 0.42 -0.33 0.00 0.00 177.00 176.19 3bkc s ILE 204 N -1.55 5.05 -0.19 2.83 1.09 0.34 -4.89 121.20 123.88 3bkc s ILE 204 Ca 0.81 1.26 0.01 0.00 -1.10 0.00 0.00 60.65 61.63 3bkc s ILE 204 Cb -0.36 -3.97 0.03 0.00 -1.06 0.00 0.00 42.46 37.10 3bkc s ILE 204 CO 0.42 0.20 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.59 3bkc s VAL 205 N 1.29 2.02 -0.13 2.92 1.01 -1.26 -0.13 120.40 126.12 3bkc s VAL 205 Ca 0.32 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3bkc s VAL 205 Cb -0.16 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3bkc s VAL 205 CO 0.13 0.44 -0.19 -0.54 0.00 0.00 0.00 175.10 174.94 3bkc s LYS 206 N 1.28 3.16 0.04 2.72 -0.14 -0.26 -5.02 119.74 121.53 3bkc s LYS 206 Ca 0.03 -0.79 -0.01 0.00 -1.36 0.00 0.00 55.97 53.84 3bkc s LYS 206 Cb -0.14 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 3bkc s LYS 206 CO -0.11 0.09 -0.03 -1.12 -0.76 0.00 0.00 175.35 173.41 3bkc s SER 207 N 0.60 0.46 0.06 2.83 0.01 -1.26 -0.80 113.70 115.61 3bkc s SER 207 Ca -0.10 -0.87 -0.06 0.00 1.31 0.00 0.00 55.95 56.22 3bkc s SER 207 Cb -0.16 0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 3bkc s SER 207 CO 0.03 -0.51 0.12 0.72 0.41 0.00 0.00 173.24 174.01 3bkc s PHE 208 N -3.26 0.24 -0.20 2.43 -0.71 -0.25 -4.99 117.98 111.23 3bkc s PHE 208 Ca 0.01 -0.65 -0.06 0.00 -1.04 0.00 0.00 56.93 55.19 3bkc s PHE 208 Cb 0.03 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 3bkc s PHE 208 CO -0.07 -0.46 0.03 1.21 -1.34 0.00 0.00 175.22 174.59 3bkc s ASN 209 N -2.65 5.11 0.42 1.98 3.84 -1.26 -1.63 114.94 120.75 3bkc s ASN 209 Ca 0.02 -0.12 0.19 0.00 0.21 0.00 0.00 52.86 53.16 3bkc s ASN 209 Cb 0.04 -1.88 1.13 0.00 -0.55 0.00 0.00 41.25 39.99 3bkc s ASN 209 CO -0.09 0.08 1.82 -0.09 -2.79 0.00 0.00 177.10 176.03 3bkc h ARG 210 N 7.39 0.36 0.00 0.43 2.43 -1.07 0.02 114.38 123.94 3bkc h ARG 210 Ca -0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3bkc h ARG 210 Cb 1.18 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3bkc h ARG 210 CO 0.62 0.24 0.00 0.09 -1.51 0.00 0.00 179.97 179.41 3bkc n ASN 211 N -4.53 0.00 -0.79 -3.80 3.02 -1.26 -5.14 115.26 102.76 3bkc n ASN 211 Ca 0.22 0.46 0.13 0.00 -0.03 0.00 0.00 54.58 55.36 3bkc n ASN 211 Cb 0.81 -0.48 0.25 0.00 -0.61 0.00 0.00 39.78 39.74 3bkc n ASN 211 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02