#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4kbp s ASP 10 N 0.00 7.13 0.24 0.55 1.01 -1.26 -2.07 116.67 122.27 4kbp s ASP 10 Ca 0.00 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 4kbp s ASP 10 Cb 0.00 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 4kbp s ASP 10 CO 0.00 -0.28 1.46 -0.04 0.21 0.00 0.00 175.17 176.52 4kbp s MET 11 N -1.14 4.26 0.73 8.23 -1.94 -0.30 -4.83 119.30 124.31 4kbp s MET 11 Ca 0.48 2.31 -0.14 0.00 -1.71 0.00 0.00 55.69 56.63 4kbp s MET 11 Cb -0.34 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.43 4kbp s MET 11 CO 0.42 -0.44 1.17 -1.25 -0.01 0.00 0.00 175.02 174.90 4kbp s PRO 12 N -0.24 2.21 0.50 2.03 0.04 -1.26 -4.90 135.00 133.38 4kbp s PRO 12 Ca 0.60 1.61 0.25 0.00 0.04 0.00 0.00 61.00 63.50 4kbp s PRO 12 Cb -0.42 -1.86 1.33 0.00 0.04 0.00 0.00 34.50 33.59 4kbp s PRO 12 CO 0.42 -1.75 1.93 -0.07 0.04 0.00 0.00 177.00 177.57 4kbp h LEU 13 N -0.40 0.12 -0.14 -3.56 3.38 -2.01 0.88 115.31 113.57 4kbp h LEU 13 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 4kbp h LEU 13 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 4kbp h LEU 13 CO 0.50 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.18 4kbp n ASP 14 N -4.38 0.76 -4.51 -0.43 5.75 -1.26 -4.76 116.55 107.72 4kbp n ASP 14 Ca 0.15 0.59 -0.58 0.00 -0.01 0.00 0.00 54.79 54.94 4kbp n ASP 14 Cb 0.73 -0.79 -0.08 0.00 -1.03 0.00 0.00 41.12 39.96 4kbp n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 4kbp n SER 15 N -2.23 0.20 -0.37 -1.12 7.64 0.30 -4.70 113.62 113.34 4kbp n SER 15 Ca 0.05 1.15 0.37 0.00 1.01 0.00 0.00 58.87 61.46 4kbp n SER 15 Cb 0.39 -0.96 0.72 0.00 -1.01 0.00 0.00 64.21 63.35 4kbp n SER 15 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 4kbp h ASP 16 N 3.19 0.00 0.46 6.43 2.03 -1.91 0.50 116.42 127.12 4kbp h ASP 16 Ca -0.50 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.73 4kbp h ASP 16 Cb 1.42 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.91 4kbp h ASP 16 CO 0.67 0.00 -0.33 1.62 -1.03 0.00 0.00 179.24 180.17 4kbp h VAL 17 N 0.00 1.07 -0.21 4.15 3.04 -1.95 -2.94 116.25 119.41 4kbp h VAL 17 Ca 0.62 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 4kbp h VAL 17 Cb 2.68 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 33.64 4kbp h VAL 17 CO -0.01 0.32 0.00 0.49 -1.01 0.00 0.00 177.57 177.37 4kbp n PHE 18 N -3.91 0.26 -1.69 3.17 3.72 0.18 -3.99 117.46 115.20 4kbp n PHE 18 Ca -0.02 -0.13 -0.43 0.00 -0.05 0.00 0.00 57.45 56.82 4kbp n PHE 18 Cb 0.40 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 4kbp n PHE 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 4kbp n ARG 19 N 0.81 2.06 -3.29 -1.08 1.74 -1.11 -4.94 116.66 110.85 4kbp n ARG 19 Ca 0.17 0.72 -0.38 0.00 -0.77 0.00 0.00 57.85 57.59 4kbp n ARG 19 Cb 0.45 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.54 4kbp n ARG 19 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 4kbp s VAL 20 N -0.99 5.13 0.23 1.55 0.11 -1.26 -5.01 120.40 120.16 4kbp s VAL 20 Ca 0.57 1.02 -0.31 0.00 -2.93 0.00 0.00 61.98 60.33 4kbp s VAL 20 Cb -0.59 -3.84 -0.14 0.00 -1.53 0.00 0.00 36.38 30.28 4kbp s VAL 20 CO 0.61 0.35 1.34 -0.81 -3.33 0.00 0.00 175.10 173.27 4kbp n PRO 21 N 3.40 1.84 -2.50 1.54 -0.04 -1.26 -4.93 135.00 133.04 4kbp n PRO 21 Ca -0.07 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.69 4kbp n PRO 21 Cb 0.52 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 4kbp n PRO 21 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 4kbp s PRO 22 N -0.46 3.87 0.00 0.54 0.04 -1.26 -4.77 135.00 132.97 4kbp s PRO 22 Ca 0.69 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.18 4kbp s PRO 22 Cb -0.69 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.61 4kbp s PRO 22 CO 0.51 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.57 4kbp n GLY 23 N 0.00 3.52 3.70 0.56 0.00 -1.26 -4.84 105.19 106.87 4kbp n GLY 23 Ca 0.08 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 4kbp n GLY 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 4kbp s TYR 24 N -2.35 3.33 -1.23 1.61 5.04 -1.26 -3.26 117.35 119.22 4kbp s TYR 24 Ca 0.00 1.27 -0.12 0.00 -2.44 0.00 0.00 57.07 55.78 4kbp s TYR 24 Cb 0.00 -3.41 -0.01 0.00 0.35 0.00 0.00 41.96 38.89 4kbp s TYR 24 CO 0.00 -1.26 0.68 -1.71 -1.34 0.00 0.00 175.55 171.92 4kbp n ASN 25 N 4.47 -3.40 -4.72 4.32 4.05 -1.26 -3.40 115.26 115.32 4kbp n ASN 25 Ca 0.10 -0.99 -0.39 0.00 0.45 0.00 0.00 54.58 53.75 4kbp n ASN 25 Cb 0.46 -3.39 -0.05 0.00 1.23 0.00 0.00 39.78 38.03 4kbp n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 4kbp s ALA 26 N -3.63 3.38 0.05 5.20 0.00 -1.20 -4.10 121.76 121.45 4kbp s ALA 26 Ca 0.28 0.08 -0.34 0.00 0.00 0.00 0.00 51.96 51.98 4kbp s ALA 26 Cb -0.10 -2.88 -0.13 0.00 0.00 0.00 0.00 23.12 20.00 4kbp s ALA 26 CO 0.86 -0.05 1.69 -2.30 0.00 0.00 0.00 175.76 175.97 4kbp n PRO 27 N 3.59 2.10 -4.32 0.00 -0.02 -1.26 -4.66 135.00 130.42 4kbp n PRO 27 Ca -0.03 0.76 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 4kbp n PRO 27 Cb 0.51 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 4kbp n PRO 27 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 4kbp s GLN 28 N 2.24 1.34 -1.22 -0.52 -2.07 0.13 -4.81 119.66 114.74 4kbp s GLN 28 Ca 0.85 -1.69 -0.07 0.00 -1.82 0.00 0.00 55.36 52.64 4kbp s GLN 28 Cb -0.71 -0.51 0.01 0.00 -1.09 0.00 0.00 33.01 30.71 4kbp s GLN 28 CO 0.44 -0.15 1.06 1.04 -1.32 0.00 0.00 175.29 176.37 4kbp n GLN 29 N -0.42 -7.11 -2.33 9.60 6.02 -1.26 -0.02 117.38 121.86 4kbp n GLN 29 Ca -0.04 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.31 4kbp n GLN 29 Cb 0.64 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 26.25 4kbp n GLN 29 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 4kbp s VAL 30 N -3.30 3.37 -0.26 5.09 1.01 -1.26 -4.41 120.40 120.64 4kbp s VAL 30 Ca 0.43 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 63.38 4kbp s VAL 30 Cb -0.19 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.49 4kbp s VAL 30 CO 0.67 0.22 0.68 -1.38 0.00 0.00 0.00 175.10 175.30 4kbp s HIS 31 N -0.38 -0.75 0.40 5.22 -3.43 -0.40 -3.89 115.29 112.06 4kbp s HIS 31 Ca 0.51 1.83 0.07 0.00 -0.80 0.00 0.00 55.06 56.67 4kbp s HIS 31 Cb -0.34 0.26 -0.08 0.00 -1.43 0.00 0.00 32.58 30.99 4kbp s HIS 31 CO 0.40 -0.36 0.01 0.96 -2.00 0.00 0.00 174.74 173.74 4kbp s ILE 32 N 0.36 1.96 0.23 -5.38 -4.36 -0.34 -1.33 121.20 112.34 4kbp s ILE 32 Ca -0.00 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.15 4kbp s ILE 32 Cb -0.05 -2.96 0.04 0.00 1.25 0.00 0.00 42.46 40.73 4kbp s ILE 32 CO 0.01 -0.01 0.80 -0.89 0.24 0.00 0.00 174.94 175.09 4kbp s THR 33 N -2.74 0.00 0.20 8.37 2.01 -1.04 -3.45 115.64 118.99 4kbp s THR 33 Ca 0.35 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 4kbp s THR 33 Cb 0.09 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.53 4kbp s THR 33 CO 0.18 0.00 1.28 -1.58 -0.69 0.00 0.00 174.62 173.80 4kbp s GLN 34 N -3.69 4.42 0.00 4.92 0.74 -1.26 -0.65 119.66 124.13 4kbp s GLN 34 Ca 0.11 2.02 0.22 0.00 0.05 0.00 0.00 55.36 57.76 4kbp s GLN 34 Cb -0.04 -3.20 0.01 0.00 1.10 0.00 0.00 33.01 30.88 4kbp s GLN 34 CO 0.05 -0.20 1.09 0.41 -0.55 0.00 0.00 175.29 176.09 4kbp n GLY 35 N 2.20 0.15 2.14 2.59 0.00 0.34 -4.24 105.19 108.37 4kbp n GLY 35 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 4kbp n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4kbp n ASP 36 N 0.15 -0.36 0.13 1.61 5.75 -1.26 -4.76 116.55 117.82 4kbp n ASP 36 Ca 0.10 -2.46 -0.01 0.00 -0.01 0.00 0.00 54.79 52.40 4kbp n ASP 36 Cb 0.48 1.09 0.16 0.00 -1.03 0.00 0.00 41.12 41.81 4kbp n ASP 36 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 4kbp h LEU 37 N 0.00 0.00 -1.68 -2.12 5.85 -1.90 -3.38 115.31 112.08 4kbp h LEU 37 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 4kbp h LEU 37 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 4kbp h LEU 37 CO 0.23 0.63 0.00 1.33 -0.34 0.00 0.00 178.44 180.30 4kbp n VAL 38 N -3.79 0.30 0.00 1.05 0.24 -1.26 0.38 118.33 115.25 4kbp n VAL 38 Ca -0.01 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 4kbp n VAL 38 Cb 0.63 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 4kbp n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 4kbp n GLY 39 N 0.08 1.16 2.35 7.63 0.00 -1.26 -4.63 105.19 110.52 4kbp n GLY 39 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 4kbp n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 4kbp n ARG 40 N -0.41 2.89 -3.55 1.61 1.85 -1.26 -4.45 116.66 113.34 4kbp n ARG 40 Ca 0.00 -3.52 -0.17 0.00 -1.00 0.00 0.00 57.85 53.16 4kbp n ARG 40 Cb 0.00 -2.28 -0.06 0.00 -1.05 0.00 0.00 32.46 29.06 4kbp n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 4kbp s ALA 41 N -3.81 -1.78 0.08 2.89 0.00 -1.26 -1.25 121.76 116.62 4kbp s ALA 41 Ca 0.60 1.50 0.03 0.00 0.00 0.00 0.00 51.96 54.10 4kbp s ALA 41 Cb 0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 4kbp s ALA 41 CO -0.06 -0.36 -0.10 -1.64 0.00 0.00 0.00 175.76 173.60 4kbp s MET 42 N -0.80 0.75 -0.24 0.00 -1.94 -0.54 -0.50 119.30 116.03 4kbp s MET 42 Ca -0.08 -1.03 -0.04 0.00 -1.71 0.00 0.00 55.69 52.83 4kbp s MET 42 Cb -0.01 -0.49 0.00 0.00 2.01 0.00 0.00 34.83 36.34 4kbp s MET 42 CO 0.07 0.08 -0.02 0.42 -0.01 0.00 0.00 175.02 175.57 4kbp s ILE 43 N -2.06 3.43 -0.18 2.53 1.01 0.18 -1.06 121.20 125.05 4kbp s ILE 43 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 4kbp s ILE 43 Cb -0.05 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 4kbp s ILE 43 CO 0.00 0.31 0.21 -0.63 0.00 0.00 0.00 174.94 174.83 4kbp s ILE 44 N 1.46 5.36 -0.01 2.92 -1.09 0.21 -2.49 121.20 127.56 4kbp s ILE 44 Ca 0.04 0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 4kbp s ILE 44 Cb -0.15 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 4kbp s ILE 44 CO -0.02 0.42 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.59 4kbp s SER 45 N 0.37 0.97 0.38 3.58 0.01 -0.44 -0.44 113.70 118.13 4kbp s SER 45 Ca 0.12 -0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.14 4kbp s SER 45 Cb -0.12 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.98 4kbp s SER 45 CO 0.01 0.08 0.67 -1.66 0.41 0.00 0.00 173.24 172.75 4kbp s TRP 46 N -0.03 0.56 -0.01 2.43 -2.14 -0.58 -1.28 118.94 117.90 4kbp s TRP 46 Ca 0.01 -1.06 0.03 0.00 2.66 0.00 0.00 56.10 57.74 4kbp s TRP 46 Cb -0.05 0.46 -0.01 0.00 -3.10 0.00 0.00 33.47 30.77 4kbp s TRP 46 CO -0.00 -1.42 -0.09 0.08 -2.66 0.00 0.00 176.95 172.85 4kbp s VAL 47 N -2.47 0.71 -0.03 -0.66 1.01 0.96 -0.08 120.40 119.84 4kbp s VAL 47 Ca 0.22 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.90 4kbp s VAL 47 Cb -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 4kbp s VAL 47 CO 0.16 0.20 -0.26 0.42 0.00 0.00 0.00 175.10 175.63 4kbp s THR 48 N -0.17 2.04 -0.06 3.92 -4.23 -0.84 0.17 115.64 116.47 4kbp s THR 48 Ca 0.03 -1.09 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 4kbp s THR 48 Cb -0.04 -1.70 -0.14 0.00 1.34 0.00 0.00 72.50 71.96 4kbp s THR 48 CO -0.00 0.57 0.12 0.23 -0.54 0.00 0.00 174.62 175.00 4kbp n MET 49 N 2.61 1.45 -0.03 3.99 2.81 -1.26 -0.87 117.12 125.81 4kbp n MET 49 Ca -0.16 -0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 55.53 4kbp n MET 49 Cb 0.51 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.66 4kbp n MET 49 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 4kbp h ASP 50 N 0.00 0.19 -5.07 7.83 3.32 -1.94 -3.46 116.42 117.27 4kbp h ASP 50 Ca -0.14 -0.79 -0.02 0.00 0.02 0.00 0.00 57.03 56.09 4kbp h ASP 50 Cb 1.08 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 4kbp h ASP 50 CO 0.01 0.96 0.04 -1.83 -1.72 0.00 0.00 179.24 176.70 4kbp s GLU 51 N -3.05 1.34 0.11 3.56 -1.05 -1.26 -5.05 118.70 113.30 4kbp s GLU 51 Ca -0.16 -0.80 -0.21 0.00 -0.15 0.00 0.00 54.97 53.64 4kbp s GLU 51 Cb 0.00 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 4kbp s GLU 51 CO 0.73 -0.57 1.09 -2.30 0.95 0.00 0.00 175.26 175.16 4kbp n PRO 52 N -0.33 -0.30 0.00 -4.83 -0.02 -1.26 -4.83 135.00 123.43 4kbp n PRO 52 Ca -0.11 1.07 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 4kbp n PRO 52 Cb 0.63 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 4kbp n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4kbp n GLY 53 N -1.17 -2.36 3.89 -1.23 0.00 -1.26 -4.81 105.19 98.25 4kbp n GLY 53 Ca 0.01 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 4kbp n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4kbp s SER 54 N -2.19 6.54 -0.20 1.61 0.15 -1.26 -4.99 113.70 113.36 4kbp s SER 54 Ca 0.00 0.70 0.15 0.00 0.70 0.00 0.00 55.95 57.51 4kbp s SER 54 Cb 0.00 -2.14 0.67 0.00 -1.71 0.00 0.00 66.02 62.84 4kbp s SER 54 CO 0.00 0.02 1.57 -1.20 1.20 0.00 0.00 173.24 174.83 4kbp n SER 55 N 0.06 4.74 -4.85 5.45 7.64 -1.26 -4.72 113.62 120.67 4kbp n SER 55 Ca -0.02 -2.96 -0.32 0.00 1.01 0.00 0.00 58.87 56.58 4kbp n SER 55 Cb 0.52 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 4kbp n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4kbp s ALA 56 N -2.77 3.27 -0.06 -0.43 0.00 -1.26 -0.41 121.76 120.10 4kbp s ALA 56 Ca 0.48 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.49 4kbp s ALA 56 Cb 0.37 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.68 4kbp s ALA 56 CO 0.12 0.16 -0.13 0.08 0.00 0.00 0.00 175.76 176.00 4kbp s VAL 57 N -2.17 1.15 -0.15 0.00 1.01 0.76 -4.54 120.40 116.46 4kbp s VAL 57 Ca 0.55 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 4kbp s VAL 57 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 4kbp s VAL 57 CO 0.22 0.36 0.13 -0.60 0.00 0.00 0.00 175.10 175.20 4kbp s ARG 58 N 0.64 3.75 0.07 2.72 3.52 -0.43 -1.10 118.95 128.12 4kbp s ARG 58 Ca -0.14 -0.19 -0.12 0.00 -0.13 0.00 0.00 55.73 55.15 4kbp s ARG 58 Cb -0.16 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 4kbp s ARG 58 CO 0.04 0.56 0.28 1.52 -0.81 0.00 0.00 175.30 176.88 4kbp s TYR 59 N -0.39 -0.03 0.05 5.12 1.13 0.52 0.23 117.35 123.98 4kbp s TYR 59 Ca 0.11 -0.24 -0.27 0.00 -1.41 0.00 0.00 57.07 55.27 4kbp s TYR 59 Cb -0.12 0.07 0.08 0.00 -1.10 0.00 0.00 41.96 40.89 4kbp s TYR 59 CO 0.01 -0.55 0.73 1.67 -2.51 0.00 0.00 175.55 174.90 4kbp s TRP 60 N -3.19 -0.49 0.27 -3.49 -2.14 -0.57 -0.72 118.94 108.60 4kbp s TRP 60 Ca -0.00 0.47 -0.06 0.00 2.66 0.00 0.00 56.10 59.16 4kbp s TRP 60 Cb 0.01 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.85 4kbp s TRP 60 CO -0.07 -0.68 0.55 -1.54 -2.66 0.00 0.00 176.95 172.54 4kbp s SER 61 N -2.26 6.48 0.31 -2.66 1.04 -1.23 -0.58 113.70 114.80 4kbp s SER 61 Ca -0.00 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.23 4kbp s SER 61 Cb -0.01 -2.16 0.67 0.00 0.10 0.00 0.00 66.02 64.62 4kbp s SER 61 CO -0.07 -0.16 1.84 -0.08 0.98 0.00 0.00 173.24 175.76 4kbp h GLU 62 N 1.90 0.84 0.00 4.02 4.81 -1.79 -3.18 114.58 121.18 4kbp h GLU 62 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 4kbp h GLU 62 Cb 1.18 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.37 4kbp h GLU 62 CO 0.67 0.55 0.00 0.36 -0.73 0.00 0.00 179.01 179.86 4kbp n LYS 63 N -4.61 0.00 -2.87 1.92 2.85 -1.26 -4.49 118.16 109.70 4kbp n LYS 63 Ca 0.19 0.43 -0.44 0.00 -1.05 0.00 0.00 58.31 57.44 4kbp n LYS 63 Cb 0.41 -1.03 -0.02 0.00 -0.65 0.00 0.00 35.03 33.75 4kbp n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 4kbp s ASN 64 N -2.56 6.77 0.00 -5.58 3.04 -1.23 -4.89 114.94 110.49 4kbp s ASN 64 Ca 0.00 -2.31 0.00 0.00 0.04 0.00 0.00 52.86 50.59 4kbp s ASN 64 Cb 0.00 -2.43 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 4kbp s ASN 64 CO 0.00 -1.02 0.00 0.61 -3.04 0.00 0.00 177.10 173.65 4kbp n GLY 65 N 5.19 0.00 3.61 1.21 0.00 -1.20 -3.55 105.19 110.46 4kbp n GLY 65 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 4kbp n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 4kbp n ARG 66 N -0.14 2.17 -2.70 1.61 0.63 -1.26 -4.83 116.66 112.14 4kbp n ARG 66 Ca 0.00 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.17 4kbp n ARG 66 Cb 0.00 -3.14 -0.03 0.00 0.45 0.00 0.00 32.46 29.75 4kbp n ARG 66 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 4kbp s LYS 67 N 5.82 4.41 0.30 -0.14 1.02 -1.26 -4.43 119.74 125.45 4kbp s LYS 67 Ca 0.98 1.37 0.10 0.00 0.02 0.00 0.00 55.97 58.44 4kbp s LYS 67 Cb -0.39 -3.55 -0.06 0.00 -0.52 0.00 0.00 37.83 33.32 4kbp s LYS 67 CO 0.38 -0.33 -0.15 1.03 -0.92 0.00 0.00 175.35 175.36 4kbp s ARG 68 N 2.07 1.70 -0.08 1.68 0.52 0.10 -4.95 118.95 119.99 4kbp s ARG 68 Ca 0.48 -1.82 0.04 0.00 -0.52 0.00 0.00 55.73 53.90 4kbp s ARG 68 Cb -0.18 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.63 4kbp s ARG 68 CO 0.17 0.23 -0.19 0.42 0.02 0.00 0.00 175.30 175.95 4kbp s ILE 69 N -2.61 1.66 -0.01 1.52 1.01 -1.26 -0.36 121.20 121.15 4kbp s ILE 69 Ca 0.30 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.20 4kbp s ILE 69 Cb -0.01 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 4kbp s ILE 69 CO 0.15 0.47 -0.13 0.00 0.00 0.00 0.00 174.94 175.43 4kbp s ALA 70 N 0.37 2.74 -0.17 9.38 0.00 -0.26 -4.92 121.76 128.90 4kbp s ALA 70 Ca -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 4kbp s ALA 70 Cb -0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 4kbp s ALA 70 CO 0.06 0.57 -0.10 0.21 0.00 0.00 0.00 175.76 176.50 4kbp s LYS 71 N -1.07 3.36 0.00 0.00 2.36 -1.26 -0.17 119.74 122.96 4kbp s LYS 71 Ca 0.14 -0.67 0.00 0.00 -2.55 0.00 0.00 55.97 52.89 4kbp s LYS 71 Cb -0.11 -2.78 0.00 0.00 -1.05 0.00 0.00 37.83 33.89 4kbp s LYS 71 CO 0.03 0.02 0.00 0.41 1.55 0.00 0.00 175.35 177.36 4kbp n GLY 72 N 4.11 2.71 3.26 5.54 0.00 0.45 -4.72 105.19 116.54 4kbp n GLY 72 Ca -0.18 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 4kbp n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4kbp s LYS 73 N 3.36 1.11 0.06 1.61 1.02 -0.37 -4.88 119.74 121.65 4kbp s LYS 73 Ca 0.00 -1.51 0.08 0.00 0.02 0.00 0.00 55.97 54.57 4kbp s LYS 73 Cb 0.00 -0.51 -0.03 0.00 -0.52 0.00 0.00 37.83 36.77 4kbp s LYS 73 CO 0.00 -0.01 -0.22 1.41 -0.92 0.00 0.00 175.35 175.61 4kbp s MET 74 N -3.81 1.41 0.16 1.68 -2.45 -1.26 -1.04 119.30 113.98 4kbp s MET 74 Ca 0.20 -1.04 -0.10 0.00 -1.25 0.00 0.00 55.69 53.50 4kbp s MET 74 Cb 0.04 -1.59 -0.00 0.00 1.25 0.00 0.00 34.83 34.53 4kbp s MET 74 CO 0.02 0.40 0.30 -1.54 1.05 0.00 0.00 175.02 175.26 4kbp s SER 75 N -1.38 0.00 0.09 1.11 1.04 0.25 -4.96 113.70 109.85 4kbp s SER 75 Ca 0.08 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 4kbp s SER 75 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 4kbp s SER 75 CO 0.03 -0.89 0.22 0.42 0.98 0.00 0.00 173.24 174.00 4kbp s THR 76 N -3.93 0.13 0.10 2.02 -4.23 -1.26 -0.58 115.64 107.89 4kbp s THR 76 Ca 0.14 -1.07 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 4kbp s THR 76 Cb 0.03 -1.29 0.02 0.00 1.34 0.00 0.00 72.50 72.60 4kbp s THR 76 CO -0.02 -0.59 0.31 -0.72 -0.54 0.00 0.00 174.62 173.06 4kbp s TYR 77 N -3.76 -0.06 -0.04 3.99 -0.85 -1.26 -5.01 117.35 110.35 4kbp s TYR 77 Ca 0.04 -0.27 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 4kbp s TYR 77 Cb 0.04 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 4kbp s TYR 77 CO -0.11 -0.62 -0.21 1.03 -1.52 0.00 0.00 175.55 174.12 4kbp s ARG 78 N -3.68 2.02 0.00 -3.49 0.52 -1.26 -0.72 118.95 112.33 4kbp s ARG 78 Ca 0.03 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 4kbp s ARG 78 Cb 0.03 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.71 4kbp s ARG 78 CO -0.11 0.35 0.00 0.34 0.02 0.00 0.00 175.30 175.90 4kbp n PHE 79 N 2.92 0.00 0.00 -0.53 7.35 -0.84 -4.98 117.46 121.38 4kbp n PHE 79 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 4kbp n PHE 79 Cb 0.53 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.33 4kbp n PHE 79 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 4kbp n PHE 80 N -1.79 0.00 -0.21 -5.13 7.35 -1.26 -4.76 117.46 111.66 4kbp n PHE 80 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 4kbp n PHE 80 Cb 0.00 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.13 4kbp n PHE 80 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 4kbp n ASN 81 N -0.26 3.89 -4.93 -2.13 6.94 -1.26 -4.92 115.26 112.59 4kbp n ASN 81 Ca 0.00 -2.20 -0.26 0.00 -0.02 0.00 0.00 54.58 52.10 4kbp n ASN 81 Cb 0.00 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 36.91 4kbp n ASN 81 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 4kbp s TYR 82 N -1.48 3.49 -0.16 -2.53 5.04 -1.26 -5.11 117.35 115.34 4kbp s TYR 82 Ca 0.44 0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 55.42 4kbp s TYR 82 Cb 0.26 -1.91 0.08 0.00 0.35 0.00 0.00 41.96 40.74 4kbp s TYR 82 CO 0.26 0.22 0.26 -1.12 -1.34 0.00 0.00 175.55 173.83 4kbp s SER 83 N -3.60 0.61 1.06 4.32 0.01 -1.26 -1.98 113.70 112.86 4kbp s SER 83 Ca 0.40 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 57.90 4kbp s SER 83 Cb -0.10 0.64 0.22 0.00 0.21 0.00 0.00 66.02 67.00 4kbp s SER 83 CO 0.32 -0.27 1.07 -0.94 0.41 0.00 0.00 173.24 173.84 4kbp s SER 84 N 2.40 1.87 0.00 2.44 1.04 0.10 -5.01 113.70 116.54 4kbp s SER 84 Ca 0.04 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.18 4kbp s SER 84 Cb -0.13 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.62 4kbp s SER 84 CO -0.10 -3.68 0.00 0.61 0.98 0.00 0.00 173.24 171.05 4kbp n GLY 85 N 0.36 0.91 3.44 7.32 0.00 -1.26 -4.76 105.19 111.20 4kbp n GLY 85 Ca 0.06 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 4kbp n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4kbp s PHE 86 N 0.68 3.21 -0.05 1.61 0.08 -0.05 -4.59 117.98 118.86 4kbp s PHE 86 Ca 0.00 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.19 4kbp s PHE 86 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 4kbp s PHE 86 CO 0.00 -0.51 0.67 0.42 -0.10 0.00 0.00 175.22 175.69 4kbp s ILE 87 N 1.62 5.01 -0.02 0.64 1.01 0.26 -1.99 121.20 127.73 4kbp s ILE 87 Ca 0.04 1.38 0.08 0.00 0.00 0.00 0.00 60.65 62.15 4kbp s ILE 87 Cb -0.18 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 4kbp s ILE 87 CO 0.08 0.30 -0.26 -1.00 0.00 0.00 0.00 174.94 174.05 4kbp s HIS 88 N 0.55 2.34 -0.10 3.97 3.76 0.88 -0.59 115.29 126.10 4kbp s HIS 88 Ca 0.35 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 54.80 4kbp s HIS 88 Cb -0.18 -1.50 0.04 0.00 1.11 0.00 0.00 32.58 32.05 4kbp s HIS 88 CO 0.18 -0.03 0.06 -1.01 -0.85 0.00 0.00 174.74 173.09 4kbp s HIS 89 N -0.61 0.21 -0.02 1.40 3.76 -0.21 -1.52 115.29 118.30 4kbp s HIS 89 Ca 0.10 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.01 4kbp s HIS 89 Cb -0.10 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.97 4kbp s HIS 89 CO -0.01 -0.34 -0.16 0.99 -0.85 0.00 0.00 174.74 174.37 4kbp s THR 90 N 2.12 1.28 -0.21 1.30 2.01 0.42 -1.23 115.64 121.33 4kbp s THR 90 Ca 0.04 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 4kbp s THR 90 Cb -0.14 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 4kbp s THR 90 CO -0.06 0.36 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.32 4kbp s THR 91 N -0.27 3.58 -0.21 -0.82 2.01 -1.26 0.64 115.64 119.32 4kbp s THR 91 Ca 0.04 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 4kbp s THR 91 Cb -0.07 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 4kbp s THR 91 CO -0.00 0.43 0.28 -0.63 -0.69 0.00 0.00 174.62 174.01 4kbp s ILE 92 N 1.23 5.29 0.44 1.82 1.01 -0.22 -4.83 121.20 125.94 4kbp s ILE 92 Ca 0.03 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.21 4kbp s ILE 92 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 4kbp s ILE 92 CO -0.00 0.32 0.24 -0.13 0.00 0.00 0.00 174.94 175.36 4kbp s ARG 93 N 1.05 2.27 -1.36 2.79 0.52 -1.26 -1.46 118.95 121.50 4kbp s ARG 93 Ca 0.14 -1.87 -0.01 0.00 -0.52 0.00 0.00 55.73 53.48 4kbp s ARG 93 Cb -0.14 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 4kbp s ARG 93 CO 0.06 -0.23 0.53 1.63 0.02 0.00 0.00 175.30 177.31 4kbp n LYS 94 N -1.38 -3.85 -2.00 3.54 5.02 -0.85 -4.93 118.16 113.72 4kbp n LYS 94 Ca -0.02 0.49 -0.30 0.00 -2.02 0.00 0.00 58.31 56.47 4kbp n LYS 94 Cb 0.64 -4.77 0.03 0.00 -0.02 0.00 0.00 35.03 30.92 4kbp n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4kbp s LEU 95 N -6.83 3.09 0.19 -0.35 1.43 -0.38 -5.04 118.68 110.78 4kbp s LEU 95 Ca 0.02 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 4kbp s LEU 95 Cb -0.01 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 4kbp s LEU 95 CO 0.86 -1.11 0.58 -0.54 0.23 0.00 0.00 176.35 176.37 4kbp s LYS 96 N -5.22 3.96 0.59 1.70 3.01 -1.26 -4.79 119.74 117.73 4kbp s LYS 96 Ca 0.56 0.48 -0.16 0.00 -1.01 0.00 0.00 55.97 55.84 4kbp s LYS 96 Cb -0.11 -2.81 -0.03 0.00 -1.01 0.00 0.00 37.83 33.87 4kbp s LYS 96 CO 0.51 0.40 1.07 0.71 0.51 0.00 0.00 175.35 178.55 4kbp s TYR 97 N -1.61 2.93 -1.23 3.18 2.02 -1.26 -4.06 117.35 117.32 4kbp s TYR 97 Ca 0.42 1.52 -0.18 0.00 -0.37 0.00 0.00 57.07 58.46 4kbp s TYR 97 Cb -0.14 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.39 4kbp s TYR 97 CO 0.20 -1.19 0.65 -1.71 -1.57 0.00 0.00 175.55 171.93 4kbp n ASN 98 N -2.00 -3.62 -3.90 2.29 5.15 -0.38 -4.93 115.26 107.89 4kbp n ASN 98 Ca 0.09 -1.08 -0.12 0.00 -0.60 0.00 0.00 54.58 52.87 4kbp n ASN 98 Cb 0.53 -2.90 -0.14 0.00 -0.53 0.00 0.00 39.78 36.74 4kbp n ASN 98 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 4kbp s THR 99 N -3.63 0.09 0.09 -0.44 2.01 -1.24 -4.88 115.64 107.64 4kbp s THR 99 Ca 0.35 -0.12 -0.26 0.00 0.31 0.00 0.00 61.69 61.96 4kbp s THR 99 Cb -0.14 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.21 4kbp s THR 99 CO 0.89 -0.03 0.79 -0.75 -0.69 0.00 0.00 174.62 174.84 4kbp s LYS 100 N -0.16 4.55 0.11 4.92 2.20 -1.26 -0.67 119.74 129.42 4kbp s LYS 100 Ca -0.01 1.14 0.09 0.00 -0.36 0.00 0.00 55.97 56.83 4kbp s LYS 100 Cb -0.01 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 4kbp s LYS 100 CO -0.00 0.36 -0.22 0.71 -0.36 0.00 0.00 175.35 175.85 4kbp s TYR 101 N -0.39 1.85 -0.06 4.03 2.02 0.77 -2.09 117.35 123.49 4kbp s TYR 101 Ca 0.39 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 4kbp s TYR 101 Cb -0.22 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 4kbp s TYR 101 CO 0.25 0.23 -0.11 0.71 -1.57 0.00 0.00 175.55 175.05 4kbp s TYR 102 N -1.19 2.80 0.01 2.71 2.02 0.25 -1.37 117.35 122.59 4kbp s TYR 102 Ca 0.08 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 4kbp s TYR 102 Cb -0.10 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 4kbp s TYR 102 CO 0.05 0.23 -0.05 1.52 -1.57 0.00 0.00 175.55 175.73 4kbp s TYR 103 N -0.72 0.44 0.01 2.71 -0.85 0.94 -1.51 117.35 118.36 4kbp s TYR 103 Ca 0.11 -0.23 0.07 0.00 -0.52 0.00 0.00 57.07 56.50 4kbp s TYR 103 Cb -0.11 -0.28 -0.02 0.00 0.38 0.00 0.00 41.96 41.93 4kbp s TYR 103 CO 0.01 -0.04 -0.23 -1.21 -1.52 0.00 0.00 175.55 172.56 4kbp s GLU 104 N -0.64 1.72 0.02 -3.49 2.02 0.13 0.41 118.70 118.87 4kbp s GLU 104 Ca -0.03 -0.90 0.02 0.00 0.02 0.00 0.00 54.97 54.08 4kbp s GLU 104 Cb -0.05 -1.75 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 4kbp s GLU 104 CO -0.00 0.47 -0.07 0.54 0.02 0.00 0.00 175.26 176.22 4kbp s VAL 105 N -0.65 0.50 0.00 2.63 0.11 0.03 -1.32 120.40 121.71 4kbp s VAL 105 Ca 0.09 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 4kbp s VAL 105 Cb -0.09 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 4kbp s VAL 105 CO 0.00 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 4kbp n GLY 106 N 2.34 0.84 0.35 6.54 0.00 -1.26 -1.01 105.19 112.98 4kbp n GLY 106 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.64 4kbp n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 4kbp h LEU 107 N 0.00 0.86 0.07 0.99 3.38 -1.84 -2.96 115.31 115.82 4kbp h LEU 107 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 4kbp h LEU 107 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 4kbp h LEU 107 CO 0.00 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.17 4kbp h ARG 108 N 1.01 -0.09 0.00 1.13 3.08 -1.95 -3.46 114.38 114.10 4kbp h ARG 108 Ca 0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.33 4kbp h ARG 108 Cb -0.08 0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 4kbp h ARG 108 CO -0.05 0.22 0.00 0.09 -1.07 0.00 0.00 179.97 179.16 4kbp n ASN 109 N -4.98 0.00 -4.51 7.04 4.13 -1.22 -5.00 115.26 110.71 4kbp n ASN 109 Ca -0.08 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.76 4kbp n ASN 109 Cb 0.19 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.33 4kbp n ASN 109 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 4kbp s THR 110 N 0.00 5.24 0.04 3.41 2.01 -1.22 -5.01 115.64 120.12 4kbp s THR 110 Ca 0.00 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 4kbp s THR 110 Cb 0.00 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 4kbp s THR 110 CO 0.00 -0.14 0.58 -0.89 -0.69 0.00 0.00 174.62 173.48 4kbp s THR 111 N 1.80 4.82 -0.02 -0.82 2.01 -1.12 -4.31 115.64 117.99 4kbp s THR 111 Ca 0.07 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.33 4kbp s THR 111 Cb -0.18 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 4kbp s THR 111 CO 0.11 0.50 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.27 4kbp s ARG 112 N -0.71 1.25 -0.03 4.92 0.52 -0.18 -4.96 118.95 119.76 4kbp s ARG 112 Ca 0.30 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 4kbp s ARG 112 Cb -0.19 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 4kbp s ARG 112 CO 0.18 0.24 -0.05 0.50 0.02 0.00 0.00 175.30 176.19 4kbp s ARG 113 N -0.10 2.70 0.34 3.54 3.52 -1.26 -0.79 118.95 126.90 4kbp s ARG 113 Ca 0.01 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 4kbp s ARG 113 Cb -0.08 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 4kbp s ARG 113 CO 0.00 0.64 0.37 -0.06 -0.81 0.00 0.00 175.30 175.44 4kbp s PHE 114 N -0.95 1.46 0.00 5.12 0.08 0.17 -4.97 117.98 118.89 4kbp s PHE 114 Ca 0.16 -1.51 -0.13 0.00 0.12 0.00 0.00 56.93 55.57 4kbp s PHE 114 Cb -0.11 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.93 4kbp s PHE 114 CO 0.06 -1.01 0.26 -1.54 -0.10 0.00 0.00 175.22 172.89 4kbp s SER 115 N -3.32 -0.11 0.14 1.36 1.04 -1.26 -0.04 113.70 111.51 4kbp s SER 115 Ca 0.36 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.67 4kbp s SER 115 Cb 0.01 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 4kbp s SER 115 CO 0.25 -0.46 0.21 0.72 0.98 0.00 0.00 173.24 174.94 4kbp s PHE 116 N -1.59 0.47 -0.13 5.02 -0.12 -0.47 -4.52 117.98 116.65 4kbp s PHE 116 Ca -0.12 -0.85 0.02 0.00 -0.05 0.00 0.00 56.93 55.93 4kbp s PHE 116 Cb -0.05 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.19 4kbp s PHE 116 CO 0.02 -0.64 -0.19 0.42 -0.05 0.00 0.00 175.22 174.79 4kbp s ILE 117 N -3.97 1.79 0.65 -4.49 1.01 -1.26 -0.16 121.20 114.77 4kbp s ILE 117 Ca 0.17 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 4kbp s ILE 117 Cb 0.05 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 4kbp s ILE 117 CO -0.02 0.50 1.17 0.42 0.00 0.00 0.00 174.94 177.02 4kbp s THR 118 N 0.92 2.74 0.75 2.92 -4.23 0.15 -4.84 115.64 114.06 4kbp s THR 118 Ca -0.06 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.76 4kbp s THR 118 Cb -0.15 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.76 4kbp s THR 118 CO -0.02 -0.16 1.08 -2.16 -0.54 0.00 0.00 174.62 172.81 4kbp s PRO 119 N -3.72 1.96 0.90 3.99 0.04 -1.26 -2.49 135.00 134.41 4kbp s PRO 119 Ca 0.73 -0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 4kbp s PRO 119 Cb -0.27 -2.11 0.13 0.00 0.04 0.00 0.00 34.50 32.30 4kbp s PRO 119 CO 0.39 -1.44 1.09 -2.14 0.04 0.00 0.00 177.00 174.94 4kbp s PRO 120 N -5.37 1.20 0.46 0.56 0.02 -1.26 -1.24 135.00 129.37 4kbp s PRO 120 Ca 0.62 0.98 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 4kbp s PRO 120 Cb -0.10 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.56 4kbp s PRO 120 CO 0.46 -2.33 1.22 -1.14 -0.33 0.00 0.00 177.00 174.89 4kbp s GLN 121 N -4.85 3.69 0.38 5.54 0.74 -1.26 -4.20 119.66 119.70 4kbp s GLN 121 Ca 0.64 1.92 -0.27 0.00 0.05 0.00 0.00 55.36 57.69 4kbp s GLN 121 Cb -0.19 -2.45 -0.11 0.00 1.10 0.00 0.00 33.01 31.36 4kbp s GLN 121 CO 0.58 -0.65 1.38 0.25 -0.55 0.00 0.00 175.29 176.30 4kbp n THR 122 N -0.45 2.14 -3.69 -0.34 -2.24 -1.26 -4.72 114.28 103.71 4kbp n THR 122 Ca 0.07 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 4kbp n THR 122 Cb 0.47 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 4kbp n THR 122 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4kbp s GLY 123 N -0.28 -0.29 0.12 3.38 0.00 -1.06 -4.99 107.32 104.21 4kbp s GLY 123 Ca 0.56 0.28 -0.18 0.00 0.00 0.00 0.00 44.72 45.38 4kbp s GLY 123 CO 0.62 0.07 1.71 -2.00 0.00 0.00 0.00 173.10 173.50 4kbp h LEU 124 N 2.00 0.42 -3.24 0.66 5.85 -1.78 -3.24 115.31 115.98 4kbp h LEU 124 Ca -0.24 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 4kbp h LEU 124 Cb 1.24 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 4kbp h LEU 124 CO 0.27 0.41 0.00 0.47 -0.34 0.00 0.00 178.44 179.26 4kbp n ASP 125 N -4.77 3.81 -4.65 1.25 8.00 -1.26 -3.80 116.55 115.13 4kbp n ASP 125 Ca -0.01 -3.00 -0.43 0.00 0.71 0.00 0.00 54.79 52.06 4kbp n ASP 125 Cb 0.10 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 4kbp n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4kbp s VAL 126 N -2.79 4.19 0.56 2.53 1.01 -1.22 -4.72 120.40 119.95 4kbp s VAL 126 Ca 0.41 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.68 4kbp s VAL 126 Cb 0.33 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 4kbp s VAL 126 CO 0.09 -0.30 0.94 -2.16 0.00 0.00 0.00 175.10 173.68 4kbp s PRO 127 N 3.86 3.63 -0.16 2.72 0.04 -1.26 -3.66 135.00 140.17 4kbp s PRO 127 Ca 0.56 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 4kbp s PRO 127 Cb -0.20 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.30 4kbp s PRO 127 CO 0.19 -0.41 1.05 -0.47 0.04 0.00 0.00 177.00 177.40 4kbp s TYR 128 N -2.96 -0.30 -0.12 0.56 5.04 -0.94 -4.87 117.35 113.77 4kbp s TYR 128 Ca 0.53 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 4kbp s TYR 128 Cb -0.11 0.47 0.02 0.00 0.35 0.00 0.00 41.96 42.70 4kbp s TYR 128 CO 0.48 -0.31 -0.11 -0.08 -1.34 0.00 0.00 175.55 174.19 4kbp s THR 129 N -1.47 1.24 -0.07 4.34 -1.32 -1.26 -0.86 115.64 116.24 4kbp s THR 129 Ca 0.02 -0.44 -0.05 0.00 -1.21 0.00 0.00 61.69 60.01 4kbp s THR 129 Cb -0.01 -1.21 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 4kbp s THR 129 CO -0.02 0.40 0.15 -0.36 -2.21 0.00 0.00 174.62 172.59 4kbp s PHE 130 N 1.52 3.56 0.10 9.09 0.08 -0.64 -0.00 117.98 131.68 4kbp s PHE 130 Ca 0.03 0.44 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 4kbp s PHE 130 Cb -0.13 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 4kbp s PHE 130 CO -0.08 0.69 0.30 0.20 -0.10 0.00 0.00 175.22 176.23 4kbp s GLY 131 N -1.43 2.22 -0.22 4.36 0.00 0.13 -1.10 107.32 111.28 4kbp s GLY 131 Ca 0.20 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.25 4kbp s GLY 131 CO 0.10 -0.63 -0.15 1.08 0.00 0.00 0.00 173.10 173.50 4kbp s LEU 132 N -2.54 2.73 -0.01 0.66 1.02 0.53 -0.86 118.68 120.21 4kbp s LEU 132 Ca 0.38 -0.97 0.01 0.00 0.02 0.00 0.00 54.13 53.56 4kbp s LEU 132 Cb -0.13 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.57 4kbp s LEU 132 CO 0.26 -0.09 -0.02 -0.63 0.02 0.00 0.00 176.35 175.89 4kbp s ILE 133 N 1.21 0.24 0.01 -0.59 1.01 -1.13 -0.79 121.20 121.17 4kbp s ILE 133 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 4kbp s ILE 133 Cb -0.16 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.06 4kbp s ILE 133 CO -0.09 0.10 0.14 -0.83 0.00 0.00 0.00 174.94 174.26 4kbp s GLY 134 N 0.32 0.06 -1.53 6.18 0.00 -1.09 -1.91 107.32 109.34 4kbp s GLY 134 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 4kbp s GLY 134 CO -0.01 -0.33 0.52 1.22 0.00 0.00 0.00 173.10 174.50 4kbp n ASP 135 N 1.31 -5.73 0.12 1.64 8.00 -0.43 -2.74 116.55 118.74 4kbp n ASP 135 Ca -0.22 -0.26 -0.13 0.00 0.71 0.00 0.00 54.79 54.89 4kbp n ASP 135 Cb 0.56 -4.66 -0.07 0.00 -0.02 0.00 0.00 41.12 36.93 4kbp n ASP 135 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 4kbp h LEU 136 N -1.16 -1.13 0.00 0.64 5.85 -1.77 0.10 115.31 117.84 4kbp h LEU 136 Ca -0.51 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.32 4kbp h LEU 136 Cb 1.35 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.79 4kbp h LEU 136 CO 0.56 -0.44 0.00 0.61 -0.34 0.00 0.00 178.44 178.83 4kbp n GLY 137 N -1.38 -0.03 2.80 3.75 0.00 -0.48 -1.16 105.19 108.69 4kbp n GLY 137 Ca -0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 4kbp n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4kbp n GLN 138 N -0.07 1.63 -2.49 1.61 10.64 -1.23 -4.86 117.38 122.62 4kbp n GLN 138 Ca 0.00 -3.47 -0.23 0.00 -1.83 0.00 0.00 57.00 51.47 4kbp n GLN 138 Cb 0.00 -1.54 0.07 0.00 -0.86 0.00 0.00 30.24 27.91 4kbp n GLN 138 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 4kbp s SER 139 N -3.67 4.81 0.40 2.61 1.04 -1.19 -1.15 113.70 116.55 4kbp s SER 139 Ca 0.27 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.77 4kbp s SER 139 Cb 0.35 -0.65 0.83 0.00 0.10 0.00 0.00 66.02 66.65 4kbp s SER 139 CO -0.02 -1.53 2.05 -0.26 0.98 0.00 0.00 173.24 174.46 4kbp h PHE 140 N -0.33 0.56 -0.88 5.02 0.04 -1.74 0.39 116.94 120.00 4kbp h PHE 140 Ca -0.41 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.43 4kbp h PHE 140 Cb 1.29 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 39.19 4kbp h PHE 140 CO 0.14 0.35 0.55 -0.44 -0.60 0.00 0.00 178.31 178.31 4kbp h ASP 141 N 0.60 0.87 -0.78 2.17 3.32 -1.90 0.50 116.42 121.20 4kbp h ASP 141 Ca 0.17 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 4kbp h ASP 141 Cb -0.03 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 4kbp h ASP 141 CO -0.04 0.56 0.42 0.28 -1.72 0.00 0.00 179.24 178.74 4kbp h SER 142 N 1.01 0.98 -0.68 6.45 0.02 -1.05 -1.03 113.55 119.25 4kbp h SER 142 Ca 0.38 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 4kbp h SER 142 Cb 0.16 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 4kbp h SER 142 CO -0.17 0.80 0.42 -1.13 -1.14 0.00 0.00 176.83 175.61 4kbp h ASN 143 N 1.08 0.67 0.18 3.07 -1.24 -0.57 -1.71 115.58 117.07 4kbp h ASN 143 Ca 0.27 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 4kbp h ASN 143 Cb 0.04 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.96 4kbp h ASN 143 CO -0.04 0.46 -0.08 0.74 -1.29 0.00 0.00 177.43 177.22 4kbp h THR 144 N 0.81 0.88 -0.38 -3.57 2.02 -0.41 -1.23 112.91 111.03 4kbp h THR 144 Ca 0.28 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.27 4kbp h THR 144 Cb 0.05 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 4kbp h THR 144 CO -0.12 0.06 -0.05 0.74 0.37 0.00 0.00 175.52 176.52 4kbp h THR 145 N -0.36 0.66 -0.93 3.16 2.02 -0.86 0.19 112.91 116.80 4kbp h THR 145 Ca -0.02 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.22 4kbp h THR 145 Cb 0.28 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 4kbp h THR 145 CO 0.04 0.01 0.60 0.25 0.37 0.00 0.00 175.52 176.79 4kbp h LEU 146 N 0.05 0.89 -0.02 2.58 5.85 -1.13 -0.72 115.31 122.81 4kbp h LEU 146 Ca 0.19 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 4kbp h LEU 146 Cb 0.27 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 4kbp h LEU 146 CO -0.35 0.54 0.00 0.28 -0.34 0.00 0.00 178.44 178.57 4kbp h SER 147 N 0.99 0.03 -0.98 1.25 0.02 0.52 -0.80 113.55 114.59 4kbp h SER 147 Ca 0.42 -0.29 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 4kbp h SER 147 Cb 0.31 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.74 4kbp h SER 147 CO -0.17 0.32 0.59 0.45 -1.14 0.00 0.00 176.83 176.87 4kbp h HIS 148 N -0.25 1.04 -0.22 3.45 3.86 -0.29 0.38 115.15 123.12 4kbp h HIS 148 Ca 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 4kbp h HIS 148 Cb 0.30 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 4kbp h HIS 148 CO 0.03 0.30 0.11 -0.92 0.86 0.00 0.00 177.93 178.30 4kbp h TYR 149 N 0.82 0.31 -0.47 2.45 3.20 -0.60 0.64 116.97 123.32 4kbp h TYR 149 Ca 0.53 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.44 4kbp h TYR 149 Cb 0.72 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 4kbp h TYR 149 CO -0.02 0.31 0.31 0.93 -1.64 0.00 0.00 178.16 178.05 4kbp h GLU 150 N 0.23 0.40 -0.01 1.82 5.08 0.91 -1.92 114.58 121.09 4kbp h GLU 150 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 4kbp h GLU 150 Cb 0.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.27 4kbp h GLU 150 CO -0.01 0.27 -0.36 1.28 -1.00 0.00 0.00 179.01 179.18 4kbp n LEU 151 N -4.48 1.30 -4.68 1.33 4.77 0.97 -4.92 117.00 111.30 4kbp n LEU 151 Ca 0.06 -0.41 -0.54 0.00 -0.03 0.00 0.00 56.01 55.09 4kbp n LEU 151 Cb 0.23 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 4kbp n LEU 151 CO 0.35 0.25 1.26 -1.20 -1.33 0.00 0.00 177.39 176.71 4kbp n SER 152 N -0.53 2.46 0.05 -1.43 7.64 0.13 -4.77 113.62 117.16 4kbp n SER 152 Ca 0.11 1.07 0.14 0.00 1.01 0.00 0.00 58.87 61.19 4kbp n SER 152 Cb 0.38 -1.21 0.61 0.00 -1.01 0.00 0.00 64.21 62.99 4kbp n SER 152 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 4kbp h PRO 153 N 6.91 0.13 -4.83 1.43 0.13 -1.90 -3.22 132.00 130.65 4kbp h PRO 153 Ca -0.47 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 4kbp h PRO 153 Cb 1.31 -0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.22 4kbp h PRO 153 CO 0.91 0.09 0.07 -1.59 -0.23 0.00 0.00 178.00 177.25 4kbp s LYS 154 N -5.15 3.08 0.07 0.86 -2.85 -1.26 -5.02 119.74 109.47 4kbp s LYS 154 Ca -0.06 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 4kbp s LYS 154 Cb 0.19 -4.17 -0.05 0.00 -2.06 0.00 0.00 37.83 31.73 4kbp s LYS 154 CO 0.72 -1.35 1.11 -1.59 0.10 0.00 0.00 175.35 174.33 4kbp s LYS 155 N 2.63 4.51 0.59 1.78 0.00 -1.22 -5.02 119.74 123.01 4kbp s LYS 155 Ca 0.13 1.65 -0.18 0.00 0.00 0.00 0.00 55.97 57.58 4kbp s LYS 155 Cb -0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 37.83 34.21 4kbp s LYS 155 CO 0.09 -0.11 1.12 0.20 0.00 0.00 0.00 175.35 176.65 4kbp s GLY 156 N 0.76 2.43 0.00 0.59 0.00 -1.26 -4.82 107.32 105.02 4kbp s GLY 156 Ca 0.54 0.70 0.03 0.00 0.00 0.00 0.00 44.72 45.99 4kbp s GLY 156 CO 0.30 1.05 0.18 -1.06 0.00 0.00 0.00 173.10 173.57 4kbp n GLN 157 N -1.75 5.34 -3.64 2.90 6.02 1.00 -4.96 117.38 122.29 4kbp n GLN 157 Ca 0.11 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 4kbp n GLN 157 Cb 0.51 -0.69 -0.07 0.00 1.02 0.00 0.00 30.24 31.01 4kbp n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 4kbp s THR 158 N -1.22 0.00 -0.14 5.09 2.01 -1.24 -4.58 115.64 115.56 4kbp s THR 158 Ca 0.02 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 4kbp s THR 158 Cb 0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 4kbp s THR 158 CO 0.13 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 4kbp s VAL 159 N 0.54 5.44 -0.35 3.82 1.01 -0.87 0.21 120.40 130.21 4kbp s VAL 159 Ca -0.00 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 4kbp s VAL 159 Cb -0.05 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.95 4kbp s VAL 159 CO -0.08 0.57 0.18 -0.76 0.00 0.00 0.00 175.10 175.00 4kbp s LEU 160 N -0.61 4.46 -0.19 3.92 1.43 -0.04 -0.43 118.68 127.22 4kbp s LEU 160 Ca 0.13 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 4kbp s LEU 160 Cb -0.12 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 4kbp s LEU 160 CO 0.02 -0.31 0.48 0.12 0.23 0.00 0.00 176.35 176.88 4kbp s PHE 161 N 1.56 3.39 -0.76 0.29 2.19 0.42 -2.85 117.98 122.21 4kbp s PHE 161 Ca 0.03 0.74 0.12 0.00 0.33 0.00 0.00 56.93 58.14 4kbp s PHE 161 Cb -0.18 -2.61 0.58 0.00 -1.31 0.00 0.00 43.02 39.50 4kbp s PHE 161 CO 0.06 -0.04 1.42 0.28 1.83 0.00 0.00 175.22 178.77 4kbp n VAL 162 N 4.36 1.77 0.00 3.12 0.31 -0.81 -2.55 118.33 124.53 4kbp n VAL 162 Ca -0.06 -0.97 0.00 0.00 -0.01 0.00 0.00 64.34 63.30 4kbp n VAL 162 Cb 0.51 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 4kbp n VAL 162 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4kbp n GLY 163 N 0.65 2.56 2.71 2.92 0.00 -1.17 -4.15 105.19 108.70 4kbp n GLY 163 Ca 0.20 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 4kbp n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4kbp n ASP 164 N 0.00 -7.79 -0.02 1.61 9.92 -1.26 -1.32 116.55 117.70 4kbp n ASP 164 Ca 0.00 1.09 -0.00 0.00 -0.53 0.00 0.00 54.79 55.35 4kbp n ASP 164 Cb 0.00 -5.20 -0.00 0.00 -0.64 0.00 0.00 41.12 35.28 4kbp n ASP 164 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 4kbp h LEU 165 N 2.60 -0.01 0.00 0.64 4.07 -1.91 -3.21 115.31 117.49 4kbp h LEU 165 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 4kbp h LEU 165 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 4kbp h LEU 165 CO 0.13 0.20 -0.40 -1.54 -1.08 0.00 0.00 178.44 175.75 4kbp n SER 166 N -3.16 1.40 -1.63 -0.43 3.41 -1.26 -1.38 113.62 110.56 4kbp n SER 166 Ca -0.00 -0.39 -0.15 0.00 -0.26 0.00 0.00 58.87 58.07 4kbp n SER 166 Cb 0.00 1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 4kbp n SER 166 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 4kbp n TYR 167 N -1.21 -0.61 0.24 7.33 4.02 -1.26 -4.46 117.16 121.22 4kbp n TYR 167 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 4kbp n TYR 167 Cb 0.04 -3.07 0.58 0.00 -0.02 0.00 0.00 39.34 36.87 4kbp n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 4kbp h ALA 168 N 0.61 1.07 0.00 -0.72 0.00 -1.87 -2.36 119.26 115.99 4kbp h ALA 168 Ca -0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.41 4kbp h ALA 168 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 4kbp h ALA 168 CO 0.43 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 4kbp n ASP 169 N -3.39 0.00 0.15 0.00 5.75 -1.26 -1.42 116.55 116.38 4kbp n ASP 169 Ca -0.00 0.19 0.06 0.00 -0.01 0.00 0.00 54.79 55.03 4kbp n ASP 169 Cb 0.36 -0.34 0.05 0.00 -1.03 0.00 0.00 41.12 40.16 4kbp n ASP 169 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 4kbp h ARG 170 N 0.00 0.00 -7.32 0.11 3.08 -1.78 -3.42 114.38 105.05 4kbp h ARG 170 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 4kbp h ARG 170 Cb 0.15 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.27 4kbp h ARG 170 CO 0.00 0.29 0.40 0.71 -1.07 0.00 0.00 179.97 180.29 4kbp s TYR 171 N -3.06 3.41 0.41 3.04 1.51 -0.51 -4.97 117.35 117.17 4kbp s TYR 171 Ca 0.04 1.37 -0.26 0.00 -1.01 0.00 0.00 57.07 57.20 4kbp s TYR 171 Cb 0.07 -2.80 -0.09 0.00 -0.11 0.00 0.00 41.96 39.03 4kbp s TYR 171 CO 0.73 -0.84 1.34 -1.25 -1.11 0.00 0.00 175.55 174.42 4kbp s PRO 172 N -4.93 3.95 -1.21 -1.71 0.04 -1.26 -1.46 135.00 128.43 4kbp s PRO 172 Ca 0.57 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.86 4kbp s PRO 172 Cb -0.12 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.64 4kbp s PRO 172 CO 0.50 -0.54 0.00 0.09 0.04 0.00 0.00 177.00 177.10 4kbp n ASN 173 N 0.15 -3.76 -1.60 6.66 5.03 -1.26 -0.55 115.26 119.92 4kbp n ASN 173 Ca 0.03 0.24 -0.15 0.00 0.87 0.00 0.00 54.58 55.57 4kbp n ASN 173 Cb 0.43 -3.32 -0.05 0.00 -1.02 0.00 0.00 39.78 35.81 4kbp n ASN 173 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 4kbp n HIS 174 N -2.77 -0.45 0.00 3.10 8.25 -0.53 -4.41 115.22 118.41 4kbp n HIS 174 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 4kbp n HIS 174 Cb 0.54 -2.84 0.00 0.00 1.12 0.00 0.00 29.99 28.80 4kbp n HIS 174 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 4kbp n ASP 175 N -0.89 0.00 0.00 0.41 -0.08 0.28 -4.45 116.55 111.82 4kbp n ASP 175 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 4kbp n ASP 175 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 4kbp n ASP 175 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 4kbp n ASN 176 N 0.00 0.00 0.01 1.67 5.03 -1.26 -1.25 115.26 119.47 4kbp n ASN 176 Ca 0.00 0.19 -0.00 0.00 0.87 0.00 0.00 54.58 55.64 4kbp n ASN 176 Cb 0.00 -0.19 0.30 0.00 -1.02 0.00 0.00 39.78 38.86 4kbp n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 4kbp h VAL 177 N 0.00 1.20 0.00 2.41 2.07 -1.97 0.10 116.25 120.06 4kbp h VAL 177 Ca 0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 4kbp h VAL 177 Cb 0.09 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 4kbp h VAL 177 CO 0.00 0.28 0.00 0.03 0.02 0.00 0.00 177.57 177.90 4kbp h ARG 178 N 0.47 0.00 0.11 1.57 2.47 -1.49 0.52 114.38 118.02 4kbp h ARG 178 Ca 0.10 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.53 4kbp h ARG 178 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 4kbp h ARG 178 CO 0.01 0.00 -1.41 -1.49 0.56 0.00 0.00 179.97 177.64 4kbp h TRP 179 N 0.00 0.42 -0.14 3.04 4.06 -0.99 -2.83 115.95 119.52 4kbp h TRP 179 Ca 0.00 -0.31 -0.03 0.00 2.06 0.00 0.00 58.89 60.61 4kbp h TRP 179 Cb 0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 4kbp h TRP 179 CO 0.00 1.31 -0.02 -0.44 -3.56 0.00 0.00 178.44 175.73 4kbp h ASP 180 N 0.06 0.26 -0.45 -3.49 3.32 0.17 -2.21 116.42 114.07 4kbp h ASP 180 Ca -0.19 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 4kbp h ASP 180 Cb 1.99 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.45 4kbp h ASP 180 CO 0.17 0.54 0.27 0.71 -1.72 0.00 0.00 179.24 179.20 4kbp h THR 181 N -0.03 1.15 -0.86 0.35 1.35 -0.84 -2.09 112.91 111.94 4kbp h THR 181 Ca 0.04 -0.35 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 4kbp h THR 181 Cb 0.41 0.56 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 4kbp h THR 181 CO 0.01 0.15 0.56 -0.25 -0.25 0.00 0.00 175.52 175.75 4kbp h TRP 182 N 0.60 1.02 0.00 4.73 7.01 -1.47 0.23 115.95 128.07 4kbp h TRP 182 Ca 0.16 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.09 4kbp h TRP 182 Cb 0.01 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.72 4kbp h TRP 182 CO -0.03 0.58 -0.45 0.78 -2.79 0.00 0.00 178.44 176.53 4kbp h GLY 183 N 1.04 0.00 1.32 2.65 0.00 -0.88 -1.19 103.07 106.02 4kbp h GLY 183 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.38 4kbp h GLY 183 CO -0.11 0.00 -1.29 3.21 0.00 0.00 0.00 176.54 178.35 4kbp h ARG 184 N 0.00 0.54 0.09 4.80 3.08 -0.46 -3.01 114.38 119.43 4kbp h ARG 184 Ca -0.00 -0.79 0.01 0.00 0.07 0.00 0.00 59.98 59.27 4kbp h ARG 184 Cb 0.87 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 4kbp h ARG 184 CO 0.06 1.36 -0.13 0.35 -1.07 0.00 0.00 179.97 180.54 4kbp h PHE 185 N 0.22 -0.33 0.00 3.04 3.57 -0.17 -3.05 116.94 120.21 4kbp h PHE 185 Ca -0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.31 4kbp h PHE 185 Cb 1.97 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.85 4kbp h PHE 185 CO 0.11 -0.20 0.00 1.79 -2.23 0.00 0.00 178.31 177.78 4kbp h THR 186 N -0.27 0.00 -1.04 4.41 1.35 -1.35 -3.35 112.91 112.66 4kbp h THR 186 Ca 0.02 -0.46 0.29 0.00 -0.55 0.00 0.00 66.41 65.71 4kbp h THR 186 Cb 0.27 1.37 -0.13 0.00 -1.73 0.00 0.00 68.15 67.94 4kbp h THR 186 CO -0.06 0.00 0.63 -0.08 -0.25 0.00 0.00 175.52 175.75 4kbp h GLU 187 N 0.00 0.40 0.00 4.72 4.81 -1.41 0.17 114.58 123.28 4kbp h GLU 187 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 4kbp h GLU 187 Cb 0.63 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.92 4kbp h GLU 187 CO 0.00 0.26 0.19 0.07 -0.73 0.00 0.00 179.01 178.81 4kbp h ARG 188 N 0.41 0.00 0.00 1.92 0.11 -1.78 0.17 114.38 115.22 4kbp h ARG 188 Ca 0.68 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.66 4kbp h ARG 188 Cb 1.56 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.62 4kbp h ARG 188 CO -0.47 0.00 -1.13 0.45 0.10 0.00 0.00 179.97 178.92 4kbp n SER 189 N -2.88 1.58 0.19 0.08 2.88 0.56 -4.69 113.62 111.34 4kbp n SER 189 Ca -0.02 0.26 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 4kbp n SER 189 Cb 0.25 -0.60 0.66 0.00 -0.75 0.00 0.00 64.21 63.76 4kbp n SER 189 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 4kbp h VAL 190 N -0.69 0.00 0.00 2.46 2.07 -1.37 0.19 116.25 118.92 4kbp h VAL 190 Ca -0.16 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.26 4kbp h VAL 190 Cb 0.93 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 4kbp h VAL 190 CO -0.09 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.50 4kbp n ALA 191 N -1.84 2.19 -0.03 1.67 0.00 0.04 -1.20 120.51 121.33 4kbp n ALA 191 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 4kbp n ALA 191 Cb 0.11 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 4kbp n ALA 191 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 4kbp n TYR 192 N -2.26 0.00 -4.14 0.00 4.01 -0.01 -4.60 117.16 110.15 4kbp n TYR 192 Ca 0.05 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.63 4kbp n TYR 192 Cb 0.40 -0.34 -0.15 0.00 -0.31 0.00 0.00 39.34 38.94 4kbp n TYR 192 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 4kbp s GLN 193 N -2.19 0.46 0.69 -0.72 -2.07 -0.79 -4.40 119.66 110.65 4kbp s GLN 193 Ca -0.03 -0.16 -0.17 0.00 -1.82 0.00 0.00 55.36 53.18 4kbp s GLN 193 Cb 0.02 -0.47 0.01 0.00 -1.09 0.00 0.00 33.01 31.49 4kbp s GLN 193 CO 0.29 0.07 1.25 -0.35 -1.32 0.00 0.00 175.29 175.23 4kbp n PRO 194 N 3.16 0.83 -4.94 9.60 -0.04 -1.26 -4.20 135.00 138.15 4kbp n PRO 194 Ca -0.15 0.35 -0.28 0.00 -0.04 0.00 0.00 63.50 63.37 4kbp n PRO 194 Cb 0.57 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.38 4kbp n PRO 194 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 4kbp s TRP 195 N -1.61 1.99 -0.20 0.54 0.52 -1.22 -2.04 118.94 116.92 4kbp s TRP 195 Ca 0.80 -0.69 -0.17 0.00 0.02 0.00 0.00 56.10 56.06 4kbp s TRP 195 Cb -0.36 -1.35 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 4kbp s TRP 195 CO 0.44 -0.27 0.47 0.42 0.02 0.00 0.00 176.95 178.03 4kbp s ILE 196 N 0.24 5.14 0.04 2.03 -1.09 0.43 -4.66 121.20 123.33 4kbp s ILE 196 Ca -0.10 0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 59.03 4kbp s ILE 196 Cb -0.15 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 4kbp s ILE 196 CO 0.05 0.21 0.43 0.26 -1.23 0.00 0.00 174.94 174.66 4kbp s TRP 197 N 1.49 3.69 -0.02 3.97 0.52 -1.26 -0.44 118.94 126.89 4kbp s TRP 197 Ca 0.22 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.34 4kbp s TRP 197 Cb -0.15 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.89 4kbp s TRP 197 CO 0.09 0.59 -0.07 0.99 0.02 0.00 0.00 176.95 178.57 4kbp s THR 198 N -1.20 0.62 -0.07 2.01 2.01 -1.06 -4.98 115.64 112.98 4kbp s THR 198 Ca 0.28 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 4kbp s THR 198 Cb -0.16 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 4kbp s THR 198 CO 0.16 0.20 0.70 0.00 -0.69 0.00 0.00 174.62 174.99 4kbp s ALA 199 N 0.13 3.34 0.52 7.40 0.00 -1.26 -3.07 121.76 128.82 4kbp s ALA 199 Ca -0.02 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.11 4kbp s ALA 199 Cb -0.07 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.13 4kbp s ALA 199 CO 0.00 -0.11 0.27 0.41 0.00 0.00 0.00 175.76 176.34 4kbp n GLY 200 N 3.11 3.01 0.18 0.00 0.00 -1.26 -4.60 105.19 105.62 4kbp n GLY 200 Ca -0.01 -2.32 0.02 0.00 0.00 0.00 0.00 46.02 43.71 4kbp n GLY 200 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 4kbp h ASN 201 N 0.80 0.00 0.34 1.61 -1.07 -1.97 -1.01 115.58 114.28 4kbp h ASN 201 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 4kbp h ASN 201 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 4kbp h ASN 201 CO 0.57 0.40 0.00 1.41 0.07 0.00 0.00 177.43 179.88 4kbp n HIS 202 N -4.02 0.00 0.05 4.14 8.25 -1.26 -2.03 115.22 120.35 4kbp n HIS 202 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 4kbp n HIS 202 Cb 0.44 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 4kbp n HIS 202 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 4kbp n GLU 203 N -1.31 0.63 -0.02 -0.41 4.71 -0.39 -4.47 120.64 119.38 4kbp n GLU 203 Ca 0.07 0.06 -0.09 0.00 -0.01 0.00 0.00 57.16 57.19 4kbp n GLU 203 Cb 0.14 -1.73 -0.04 0.00 -1.01 0.00 0.00 31.44 28.79 4kbp n GLU 203 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 4kbp h ILE 204 N 0.00 0.86 -6.27 -3.67 2.04 -1.42 -3.20 117.51 105.85 4kbp h ILE 204 Ca -0.06 -0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.35 4kbp h ILE 204 Cb 1.17 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 4kbp h ILE 204 CO 0.01 0.00 -0.84 -0.62 0.00 0.00 0.00 178.15 176.70 4kbp n GLU 205 N -5.17 -4.39 -2.68 2.37 1.02 -1.26 -0.35 120.64 110.18 4kbp n GLU 205 Ca -0.04 0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 4kbp n GLU 205 Cb 0.10 -5.00 -0.03 0.00 -0.02 0.00 0.00 31.44 26.48 4kbp n GLU 205 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 4kbp s PHE 206 N -3.70 2.55 -0.63 -0.32 5.36 -1.26 -4.77 117.98 115.21 4kbp s PHE 206 Ca 0.11 -0.00 0.06 0.00 -0.96 0.00 0.00 56.93 56.14 4kbp s PHE 206 Cb -0.06 -4.41 0.22 0.00 -0.34 0.00 0.00 43.02 38.42 4kbp s PHE 206 CO 0.84 -1.70 0.62 0.00 -1.46 0.00 0.00 175.22 173.52 4kbp n ALA 207 N 8.39 3.65 -0.36 11.12 0.00 0.67 -4.93 120.51 139.06 4kbp n ALA 207 Ca 0.03 -4.50 0.09 0.00 0.00 0.00 0.00 53.44 49.07 4kbp n ALA 207 Cb 0.48 -0.93 0.28 0.00 0.00 0.00 0.00 19.45 19.27 4kbp n ALA 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 4kbp h PRO 208 N 4.68 0.87 -0.84 0.00 0.11 -1.91 -1.22 132.00 133.69 4kbp h PRO 208 Ca 0.18 -0.05 0.18 0.00 0.11 0.00 0.00 66.00 66.41 4kbp h PRO 208 Cb 0.72 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.58 4kbp h PRO 208 CO 0.74 0.58 0.56 0.93 -0.21 0.00 0.00 178.00 180.60 4kbp h GLU 209 N 0.90 0.42 -0.34 1.05 3.07 -1.91 0.10 114.58 117.87 4kbp h GLU 209 Ca 0.53 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 4kbp h GLU 209 Cb 0.65 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 4kbp h GLU 209 CO -0.30 0.28 0.01 0.44 -1.40 0.00 0.00 179.01 178.03 4kbp n ILE 210 N -4.50 2.41 -1.93 3.13 -5.35 -0.75 -4.95 119.36 107.43 4kbp n ILE 210 Ca 0.17 -1.88 -0.20 0.00 -0.27 0.00 0.00 62.75 60.56 4kbp n ILE 210 Cb 0.61 -0.27 -0.05 0.00 -1.74 0.00 0.00 39.64 38.18 4kbp n ILE 210 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 4kbp n ASN 211 N -0.41 -5.61 -4.31 7.28 3.02 0.36 -4.91 115.26 110.69 4kbp n ASN 211 Ca 0.24 0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 54.67 4kbp n ASN 211 Cb 0.98 -4.79 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 4kbp n ASN 211 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 4kbp s GLU 212 N -4.27 2.69 -0.07 3.52 0.41 -0.54 -4.93 118.70 115.51 4kbp s GLU 212 Ca 0.00 -1.32 0.10 0.00 -0.41 0.00 0.00 54.97 53.34 4kbp s GLU 212 Cb 0.00 -3.76 0.16 0.00 -1.78 0.00 0.00 34.13 28.75 4kbp s GLU 212 CO 0.00 -0.86 1.06 0.25 -0.49 0.00 0.00 175.26 175.22 4kbp n THR 213 N 4.95 1.12 -3.61 3.63 -2.24 -1.26 -0.24 114.28 116.62 4kbp n THR 213 Ca -0.11 -1.32 -0.40 0.00 -2.27 0.00 0.00 64.05 59.94 4kbp n THR 213 Cb 0.44 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 4kbp n THR 213 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 4kbp s GLU 214 N -1.66 2.77 0.42 -0.78 2.12 -1.26 -4.95 118.70 115.35 4kbp s GLU 214 Ca 0.18 -1.15 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 4kbp s GLU 214 Cb 0.15 -3.72 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 4kbp s GLU 214 CO 0.02 -0.74 1.09 -2.30 -0.54 0.00 0.00 175.26 172.79 4kbp n PRO 215 N 4.97 1.51 -1.65 4.30 -0.02 -1.26 -2.73 135.00 140.13 4kbp n PRO 215 Ca -0.12 0.54 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 4kbp n PRO 215 Cb 0.45 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 4kbp n PRO 215 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 4kbp n PHE 216 N -0.39 -0.12 0.14 6.00 3.72 0.53 -4.94 117.46 122.40 4kbp n PHE 216 Ca 0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.42 4kbp n PHE 216 Cb 0.39 -3.22 -0.03 0.00 -0.94 0.00 0.00 39.48 35.68 4kbp n PHE 216 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 4kbp h LYS 217 N 0.00 -0.38 -0.81 -1.08 3.64 -1.73 0.12 116.57 116.34 4kbp h LYS 217 Ca -0.39 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 4kbp h LYS 217 Cb 1.23 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 4kbp h LYS 217 CO 0.55 -0.25 0.53 -1.35 -2.27 0.00 0.00 179.45 176.66 4kbp h PRO 218 N -0.39 0.87 -0.09 1.90 0.11 -1.88 -1.49 132.00 131.02 4kbp h PRO 218 Ca -0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 4kbp h PRO 218 Cb 0.31 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 4kbp h PRO 218 CO 0.04 0.57 0.05 0.35 -0.21 0.00 0.00 178.00 178.80 4kbp h PHE 219 N 0.89 0.13 -0.32 0.65 3.57 -1.80 -1.96 116.94 118.10 4kbp h PHE 219 Ca 0.35 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 4kbp h PHE 219 Cb 0.21 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 4kbp h PHE 219 CO -0.00 0.17 0.02 0.66 -2.23 0.00 0.00 178.31 176.92 4kbp h SER 220 N 0.05 0.45 -0.49 0.41 4.64 -0.07 0.26 113.55 118.80 4kbp h SER 220 Ca 0.03 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 4kbp h SER 220 Cb 0.08 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 4kbp h SER 220 CO -0.01 0.51 -0.21 1.88 -0.87 0.00 0.00 176.83 178.13 4kbp h TYR 221 N 0.47 1.15 0.11 4.77 -1.99 -0.72 -3.33 116.97 117.44 4kbp h TYR 221 Ca 0.10 -0.28 -0.29 0.00 2.00 0.00 0.00 58.73 60.27 4kbp h TYR 221 Cb 0.28 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 4kbp h TYR 221 CO 0.01 1.11 -1.42 0.00 -0.00 0.00 0.00 178.16 177.86 4kbp h ARG 222 N 0.87 0.24 -4.90 4.88 3.08 -0.95 -3.45 114.38 114.15 4kbp h ARG 222 Ca 0.11 -0.41 -0.67 0.00 0.07 0.00 0.00 59.98 59.08 4kbp h ARG 222 Cb 0.79 0.15 -0.33 0.00 0.08 0.00 0.00 29.97 30.66 4kbp h ARG 222 CO 0.07 1.13 -0.76 0.71 -1.07 0.00 0.00 179.97 180.04 4kbp s TYR 223 N -2.63 3.09 0.16 3.04 2.02 0.86 -4.99 117.35 118.91 4kbp s TYR 223 Ca -0.07 -1.72 0.05 0.00 -0.37 0.00 0.00 57.07 54.97 4kbp s TYR 223 Cb 0.07 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 4kbp s TYR 223 CO 0.86 -0.77 0.12 -1.01 -1.57 0.00 0.00 175.55 173.18 4kbp s HIS 224 N 1.28 3.12 0.03 2.71 3.76 -1.26 -4.57 115.29 120.36 4kbp s HIS 224 Ca -0.01 -0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 54.87 4kbp s HIS 224 Cb -0.17 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 4kbp s HIS 224 CO -0.05 0.52 -0.03 0.14 -0.85 0.00 0.00 174.74 174.47 4kbp s VAL 225 N -1.73 0.17 -0.12 -0.90 -7.23 -1.26 -4.94 120.40 104.38 4kbp s VAL 225 Ca 0.30 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 4kbp s VAL 225 Cb -0.10 -0.69 -0.20 0.00 0.56 0.00 0.00 36.38 35.95 4kbp s VAL 225 CO 0.23 -0.66 2.94 -0.81 -0.31 0.00 0.00 175.10 176.49 4kbp n PRO 226 N 1.10 1.72 0.22 4.82 -0.04 -1.26 -4.62 135.00 136.93 4kbp n PRO 226 Ca -0.21 -0.89 0.06 0.00 -0.04 0.00 0.00 63.50 62.42 4kbp n PRO 226 Cb 0.57 -1.97 0.50 0.00 -0.04 0.00 0.00 33.50 32.57 4kbp n PRO 226 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 4kbp h TYR 227 N 3.81 0.00 0.00 0.54 -0.00 -1.91 -0.15 116.97 119.26 4kbp h TYR 227 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.93 4kbp h TYR 227 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.84 4kbp h TYR 227 CO 1.66 0.23 0.00 0.39 -0.00 0.00 0.00 178.16 180.44 4kbp n GLU 228 N -4.07 0.07 -0.13 0.10 4.71 -1.26 -2.57 120.64 117.49 4kbp n GLU 228 Ca -0.02 0.18 -0.10 0.00 -0.01 0.00 0.00 57.16 57.21 4kbp n GLU 228 Cb 0.30 -1.60 -0.01 0.00 -1.01 0.00 0.00 31.44 29.12 4kbp n GLU 228 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 4kbp h ALA 229 N 2.65 0.50 -2.26 0.62 0.00 -1.36 -3.38 119.26 116.03 4kbp h ALA 229 Ca 0.00 -0.19 -0.45 0.00 0.00 0.00 0.00 54.91 54.26 4kbp h ALA 229 Cb 0.43 -0.14 0.14 0.00 0.00 0.00 0.00 17.79 18.22 4kbp h ALA 229 CO 0.00 0.19 0.39 -1.12 0.00 0.00 0.00 179.25 178.71 4kbp s SER 230 N -5.99 3.45 -0.70 0.00 0.01 -1.15 -4.79 113.70 104.52 4kbp s SER 230 Ca -0.13 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 4kbp s SER 230 Cb 0.10 -0.76 0.36 0.00 0.21 0.00 0.00 66.02 65.93 4kbp s SER 230 CO 0.77 -2.54 2.09 0.00 0.41 0.00 0.00 173.24 173.96 4kbp n GLN 231 N -3.69 2.63 -1.68 12.44 3.00 -1.26 -4.91 117.38 123.91 4kbp n GLN 231 Ca 0.12 -3.19 -0.32 0.00 -0.01 0.00 0.00 57.00 53.60 4kbp n GLN 231 Cb 0.60 -2.22 0.05 0.00 0.00 0.00 0.00 30.24 28.67 4kbp n GLN 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 4kbp s SER 232 N -1.22 5.14 -0.05 1.08 0.15 -1.06 -4.97 113.70 112.76 4kbp s SER 232 Ca 0.57 1.88 0.09 0.00 0.70 0.00 0.00 55.95 59.19 4kbp s SER 232 Cb 0.45 -2.53 0.24 0.00 -1.71 0.00 0.00 66.02 62.47 4kbp s SER 232 CO -0.19 -1.61 1.18 0.35 1.20 0.00 0.00 173.24 174.18 4kbp n THR 233 N -2.67 1.34 -3.68 6.45 -2.24 -1.26 -4.32 114.28 107.90 4kbp n THR 233 Ca 0.09 -1.33 -0.14 0.00 -2.27 0.00 0.00 64.05 60.40 4kbp n THR 233 Cb 0.53 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 4kbp n THR 233 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 4kbp s SER 234 N -1.42 -0.49 0.00 3.42 0.15 -1.26 -5.02 113.70 109.07 4kbp s SER 234 Ca 0.20 0.82 0.20 0.00 0.70 0.00 0.00 55.95 57.87 4kbp s SER 234 Cb 0.14 0.84 1.20 0.00 -1.71 0.00 0.00 66.02 66.49 4kbp s SER 234 CO 0.08 -0.30 1.61 -0.81 1.20 0.00 0.00 173.24 175.02 4kbp n PRO 235 N 2.23 0.61 0.00 5.44 -0.04 -1.26 -3.39 135.00 138.58 4kbp n PRO 235 Ca -0.16 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 4kbp n PRO 235 Cb 0.56 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.89 4kbp n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4kbp n PHE 236 N -1.03 0.00 -3.71 0.54 3.72 -1.26 -4.80 117.46 110.92 4kbp n PHE 236 Ca 0.15 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 4kbp n PHE 236 Cb 0.08 -0.33 -0.11 0.00 -0.94 0.00 0.00 39.48 38.18 4kbp n PHE 236 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 4kbp s TRP 237 N -3.00 -0.51 0.09 1.38 -2.14 -1.22 -3.59 118.94 109.96 4kbp s TRP 237 Ca 0.12 1.12 -0.14 0.00 2.66 0.00 0.00 56.10 59.86 4kbp s TRP 237 Cb 0.18 0.19 0.05 0.00 -3.10 0.00 0.00 33.47 30.79 4kbp s TRP 237 CO 0.65 -0.29 0.66 2.48 -2.66 0.00 0.00 176.95 177.79 4kbp n TYR 238 N 4.01 -0.89 -3.85 1.66 4.11 -0.79 -4.66 117.16 116.74 4kbp n TYR 238 Ca -0.22 -0.71 -0.09 0.00 -0.00 0.00 0.00 57.90 56.88 4kbp n TYR 238 Cb 0.55 0.34 -0.07 0.00 -0.00 0.00 0.00 39.34 40.16 4kbp n TYR 238 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 4kbp s SER 239 N -2.55 0.05 0.03 9.48 1.04 -1.26 -0.05 113.70 120.45 4kbp s SER 239 Ca 0.15 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 4kbp s SER 239 Cb -0.01 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.50 4kbp s SER 239 CO 0.03 -0.79 0.21 0.27 0.98 0.00 0.00 173.24 173.93 4kbp s ILE 240 N -3.88 0.10 -0.01 -1.02 -4.36 -0.60 -4.46 121.20 106.97 4kbp s ILE 240 Ca 0.08 -0.82 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 4kbp s ILE 240 Cb 0.04 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.89 4kbp s ILE 240 CO -0.08 -0.45 -0.12 -0.54 0.24 0.00 0.00 174.94 173.99 4kbp s LYS 241 N -2.32 2.44 -0.20 0.37 1.02 0.16 -1.69 119.74 119.51 4kbp s LYS 241 Ca -0.07 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 4kbp s LYS 241 Cb -0.02 -2.40 0.09 0.00 -0.52 0.00 0.00 37.83 34.98 4kbp s LYS 241 CO -0.02 0.60 0.45 0.50 -0.92 0.00 0.00 175.35 175.96 4kbp s ARG 242 N -1.18 0.38 7.91 1.68 3.52 -0.62 -4.14 118.95 126.51 4kbp s ARG 242 Ca 0.14 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 4kbp s ARG 242 Cb -0.11 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 4kbp s ARG 242 CO 0.04 -0.22 0.00 0.00 -0.81 0.00 0.00 175.30 174.32 4kbp n ALA 243 N 5.04 0.00 0.66 6.12 0.00 -1.26 -1.51 120.51 129.56 4kbp n ALA 243 Ca -0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.43 4kbp n ALA 243 Cb 0.51 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.16 4kbp n ALA 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 4kbp n SER 244 N 7.41 3.13 -4.81 0.00 3.41 -1.24 -2.55 113.62 118.97 4kbp n SER 244 Ca 0.00 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 4kbp n SER 244 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 4kbp n SER 244 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4kbp s ALA 245 N -1.71 3.66 -0.27 7.33 0.00 -0.57 -2.22 121.76 127.99 4kbp s ALA 245 Ca 0.35 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.33 4kbp s ALA 245 Cb 0.21 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.89 4kbp s ALA 245 CO 0.31 0.73 -0.09 -1.58 0.00 0.00 0.00 175.76 175.13 4kbp s HIS 246 N -1.46 3.33 -0.15 0.00 2.46 0.11 -1.58 115.29 117.99 4kbp s HIS 246 Ca 0.31 -2.41 -0.07 0.00 0.47 0.00 0.00 55.06 53.36 4kbp s HIS 246 Cb -0.12 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.24 4kbp s HIS 246 CO 0.24 -0.89 0.09 0.42 -2.47 0.00 0.00 174.74 172.12 4kbp s ILE 247 N 1.08 5.03 -0.09 0.89 1.01 -0.68 -1.40 121.20 127.04 4kbp s ILE 247 Ca -0.07 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.66 4kbp s ILE 247 Cb -0.20 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.05 4kbp s ILE 247 CO -0.05 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.59 4kbp s ILE 248 N -0.23 1.68 -0.14 2.92 1.01 -0.35 -1.55 121.20 124.54 4kbp s ILE 248 Ca 0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 4kbp s ILE 248 Cb -0.12 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 4kbp s ILE 248 CO 0.01 0.48 -0.09 -0.69 0.00 0.00 0.00 174.94 174.64 4kbp s VAL 249 N 0.53 3.38 0.40 2.92 1.01 0.93 -0.63 120.40 128.94 4kbp s VAL 249 Ca -0.16 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.35 4kbp s VAL 249 Cb -0.17 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 4kbp s VAL 249 CO 0.06 0.51 0.07 -0.76 0.00 0.00 0.00 175.10 174.98 4kbp s LEU 250 N 0.33 2.98 -0.38 3.92 1.43 -0.20 -1.89 118.68 124.87 4kbp s LEU 250 Ca -0.08 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 51.85 4kbp s LEU 250 Cb -0.15 -1.18 0.11 0.00 0.03 0.00 0.00 46.19 45.00 4kbp s LEU 250 CO 0.05 -0.45 0.12 -0.55 0.23 0.00 0.00 176.35 175.74 4kbp s SER 251 N -3.78 4.49 0.60 2.29 0.15 -1.24 -4.57 113.70 111.64 4kbp s SER 251 Ca 0.37 -2.31 0.30 0.00 0.70 0.00 0.00 55.95 55.02 4kbp s SER 251 Cb 0.06 -1.48 1.75 0.00 -1.71 0.00 0.00 66.02 64.63 4kbp s SER 251 CO 0.20 -0.34 2.12 0.28 1.20 0.00 0.00 173.24 176.70 4kbp h SER 252 N 7.37 0.00 -0.29 5.45 0.02 -1.92 -2.23 113.55 121.95 4kbp h SER 252 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 4kbp h SER 252 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 4kbp h SER 252 CO 0.55 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 175.02 4kbp n TYR 253 N -3.66 0.37 -2.58 3.45 4.01 -1.26 -4.90 117.16 112.59 4kbp n TYR 253 Ca 0.00 -0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.45 4kbp n TYR 253 Cb 0.29 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 4kbp n TYR 253 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 4kbp n SER 254 N 0.92 0.13 -4.86 7.72 7.64 -0.84 -5.10 113.62 119.24 4kbp n SER 254 Ca 0.13 -1.10 -0.35 0.00 1.01 0.00 0.00 58.87 58.56 4kbp n SER 254 Cb 0.46 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 4kbp n SER 254 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4kbp s ALA 255 N -2.48 3.83 0.00 -0.43 0.00 -1.26 -5.01 121.76 116.41 4kbp s ALA 255 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.30 4kbp s ALA 255 Cb -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.25 4kbp s ALA 255 CO 0.03 0.66 0.79 2.48 0.00 0.00 0.00 175.76 179.73 4kbp n TYR 256 N 1.60 0.00 -0.71 0.00 0.18 -1.26 -4.07 117.16 112.89 4kbp n TYR 256 Ca -0.16 -0.30 -0.33 0.00 1.88 0.00 0.00 57.90 58.99 4kbp n TYR 256 Cb 0.54 -0.03 0.16 0.00 -0.38 0.00 0.00 39.34 39.63 4kbp n TYR 256 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 4kbp n GLY 257 N -0.30 -2.37 3.69 -7.48 0.00 -1.26 -4.56 105.19 92.92 4kbp n GLY 257 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 4kbp n GLY 257 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4kbp s ARG 258 N -3.49 4.33 0.00 1.61 3.52 -1.26 -2.49 118.95 121.17 4kbp s ARG 258 Ca 0.56 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 4kbp s ARG 258 Cb -0.15 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 4kbp s ARG 258 CO 0.67 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 4kbp n GLY 259 N 3.47 3.26 3.73 8.12 0.00 -1.26 -5.06 105.19 117.44 4kbp n GLY 259 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 4kbp n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4kbp s THR 260 N -2.92 2.88 0.22 2.61 -4.23 -1.04 -4.76 115.64 108.40 4kbp s THR 260 Ca 0.00 0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.71 4kbp s THR 260 Cb 0.00 -2.69 0.18 0.00 1.34 0.00 0.00 72.50 71.33 4kbp s THR 260 CO 0.00 -0.37 1.87 -0.65 -0.54 0.00 0.00 174.62 174.93 4kbp h PRO 261 N -1.43 0.97 -0.29 3.99 0.11 -1.89 -1.03 132.00 132.43 4kbp h PRO 261 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 4kbp h PRO 261 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 4kbp h PRO 261 CO 0.51 0.64 0.12 0.37 -0.21 0.00 0.00 178.00 179.43 4kbp h GLN 262 N 1.00 0.43 0.37 1.05 4.15 -1.93 0.15 115.11 120.33 4kbp h GLN 262 Ca 0.31 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 4kbp h GLN 262 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 4kbp h GLN 262 CO -0.10 0.44 -0.27 -0.92 -1.93 0.00 0.00 178.83 176.04 4kbp h TYR 263 N 0.32 -0.72 -0.70 3.99 5.03 -1.70 -1.33 116.97 121.87 4kbp h TYR 263 Ca 0.10 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.50 4kbp h TYR 263 Cb 0.16 0.27 -0.07 0.00 1.55 0.00 0.00 36.73 38.64 4kbp h TYR 263 CO -0.01 -0.41 0.33 1.15 -1.32 0.00 0.00 178.16 177.90 4kbp h THR 264 N -0.63 0.82 0.57 1.81 2.02 -1.03 -1.95 112.91 114.50 4kbp h THR 264 Ca -0.03 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 4kbp h THR 264 Cb 0.55 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 4kbp h THR 264 CO 0.00 0.10 -0.27 -0.25 0.37 0.00 0.00 175.52 175.47 4kbp h TRP 265 N 0.56 -0.71 -0.93 3.16 7.01 -0.38 -2.96 115.95 121.70 4kbp h TRP 265 Ca 0.35 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.46 4kbp h TRP 265 Cb 0.40 0.23 -0.09 0.00 -2.10 0.00 0.00 29.16 27.61 4kbp h TRP 265 CO -0.12 -0.43 0.56 1.25 -2.79 0.00 0.00 178.44 176.91 4kbp h LEU 266 N -0.78 0.78 0.13 0.65 5.85 -1.01 0.83 115.31 121.75 4kbp h LEU 266 Ca -0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.71 4kbp h LEU 266 Cb 0.59 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 4kbp h LEU 266 CO 0.13 0.40 -0.19 0.50 -0.34 0.00 0.00 178.44 178.93 4kbp h LYS 267 N 0.86 -0.37 -0.25 1.25 3.64 -1.30 0.40 116.57 120.81 4kbp h LYS 267 Ca 0.48 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.79 4kbp h LYS 267 Cb 0.53 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 4kbp h LYS 267 CO -0.29 -0.25 -0.24 0.87 -2.27 0.00 0.00 179.45 177.28 4kbp h LYS 268 N -0.38 0.46 -0.51 1.90 1.57 -1.18 -2.87 116.57 115.55 4kbp h LYS 268 Ca 0.02 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 4kbp h LYS 268 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 4kbp h LYS 268 CO -0.09 0.67 0.12 1.49 -0.57 0.00 0.00 179.45 181.07 4kbp h GLU 269 N 0.41 0.82 -0.68 3.15 4.57 -0.23 -1.56 114.58 121.06 4kbp h GLU 269 Ca 0.06 -0.20 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 4kbp h GLU 269 Cb 0.64 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 4kbp h GLU 269 CO 0.05 0.79 0.45 -0.07 -1.18 0.00 0.00 179.01 179.05 4kbp h LEU 270 N 0.71 0.45 -0.92 1.64 3.38 -0.71 0.20 115.31 120.06 4kbp h LEU 270 Ca 0.16 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 4kbp h LEU 270 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 4kbp h LEU 270 CO 0.00 0.26 -0.40 0.03 0.09 0.00 0.00 178.44 178.43 4kbp h ARG 271 N 0.50 0.00 0.00 1.13 3.08 -1.27 -2.87 114.38 114.95 4kbp h ARG 271 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 4kbp h ARG 271 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 4kbp h ARG 271 CO -0.10 0.40 0.00 1.63 -1.07 0.00 0.00 179.97 180.82 4kbp n LYS 272 N -3.57 0.82 -2.56 0.04 5.02 0.71 -4.82 118.16 113.81 4kbp n LYS 272 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 4kbp n LYS 272 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 4kbp n LYS 272 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 4kbp s VAL 273 N -2.18 4.36 -0.27 -0.18 1.01 -1.08 -5.01 120.40 117.06 4kbp s VAL 273 Ca 0.42 1.75 0.02 0.00 0.00 0.00 0.00 61.98 64.17 4kbp s VAL 273 Cb 0.21 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.54 4kbp s VAL 273 CO 0.40 0.16 -0.07 -0.54 0.00 0.00 0.00 175.10 175.05 4kbp s LYS 274 N 0.80 1.94 0.23 2.72 1.02 -1.26 -5.00 119.74 120.20 4kbp s LYS 274 Ca 0.54 -1.33 0.24 0.00 0.02 0.00 0.00 55.97 55.45 4kbp s LYS 274 Cb -0.26 -2.84 0.92 0.00 -0.52 0.00 0.00 37.83 35.14 4kbp s LYS 274 CO 0.29 -0.64 1.73 0.54 -0.92 0.00 0.00 175.35 176.36 4kbp n ARG 275 N 4.48 0.21 0.23 1.68 5.12 -1.26 -0.97 116.66 126.14 4kbp n ARG 275 Ca -0.11 0.35 0.14 0.00 -1.93 0.00 0.00 57.85 56.30 4kbp n ARG 275 Cb 0.42 -1.84 0.44 0.00 -1.16 0.00 0.00 32.46 30.33 4kbp n ARG 275 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 4kbp h SER 276 N 0.00 0.00 0.00 0.55 4.64 -1.95 -3.01 113.55 113.78 4kbp h SER 276 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 4kbp h SER 276 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 4kbp h SER 276 CO 0.00 0.00 -1.33 1.21 -0.87 0.00 0.00 176.83 175.84 4kbp n GLU 277 N -2.96 0.53 -3.88 4.77 2.13 -0.57 -4.54 120.64 116.11 4kbp n GLU 277 Ca 0.02 0.22 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 4kbp n GLU 277 Cb 0.40 -1.42 -0.14 0.00 0.27 0.00 0.00 31.44 30.55 4kbp n GLU 277 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 4kbp s THR 278 N -2.80 1.84 0.25 6.31 -4.23 -0.15 -3.09 115.64 113.77 4kbp s THR 278 Ca -0.31 -2.35 -0.03 0.00 -1.18 0.00 0.00 61.69 57.82 4kbp s THR 278 Cb 0.06 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.80 4kbp s THR 278 CO 0.43 -0.71 1.81 1.55 -0.54 0.00 0.00 174.62 177.16 4kbp h PRO 279 N 7.34 0.80 -5.84 3.99 0.13 -1.36 -3.37 132.00 133.69 4kbp h PRO 279 Ca -0.07 -0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 64.43 4kbp h PRO 279 Cb 0.98 -0.18 -0.08 0.00 0.13 0.00 0.00 31.00 31.85 4kbp h PRO 279 CO 0.54 0.53 0.31 -1.58 -0.23 0.00 0.00 178.00 177.57 4kbp s TRP 280 N -6.02 3.39 -0.26 1.56 0.52 -0.94 -4.85 118.94 112.34 4kbp s TRP 280 Ca -0.12 1.14 -0.03 0.00 0.02 0.00 0.00 56.10 57.11 4kbp s TRP 280 Cb 0.20 -2.95 0.02 0.00 -1.15 0.00 0.00 33.47 29.59 4kbp s TRP 280 CO 0.79 -0.24 -0.03 -1.17 0.02 0.00 0.00 176.95 176.32 4kbp s LEU 281 N 2.16 3.39 0.02 2.99 2.96 -1.26 0.05 118.68 128.98 4kbp s LEU 281 Ca 0.35 -0.88 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 4kbp s LEU 281 Cb -0.16 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 4kbp s LEU 281 CO 0.11 -0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.19 4kbp s ILE 282 N 1.35 2.88 0.04 6.68 1.01 -0.49 -1.73 121.20 130.94 4kbp s ILE 282 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.65 4kbp s ILE 282 Cb -0.17 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 4kbp s ILE 282 CO -0.03 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 4kbp s VAL 283 N -0.87 1.26 0.05 2.92 1.01 -0.99 -1.21 120.40 122.56 4kbp s VAL 283 Ca 0.14 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.17 4kbp s VAL 283 Cb -0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 4kbp s VAL 283 CO 0.04 0.08 -0.21 -0.76 0.00 0.00 0.00 175.10 174.25 4kbp s LEU 284 N -1.09 2.18 -0.03 3.92 1.43 0.20 -1.37 118.68 123.91 4kbp s LEU 284 Ca 0.03 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 4kbp s LEU 284 Cb -0.08 -0.99 0.10 0.00 0.03 0.00 0.00 46.19 45.25 4kbp s LEU 284 CO 0.01 0.16 0.87 0.00 0.23 0.00 0.00 176.35 177.62 4kbp s MET 285 N -1.27 0.82 -0.12 1.70 0.23 -0.96 -1.03 119.30 118.67 4kbp s MET 285 Ca 0.08 -0.16 -0.08 0.00 -1.03 0.00 0.00 55.69 54.50 4kbp s MET 285 Cb -0.09 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.52 4kbp s MET 285 CO 0.02 -0.33 0.16 1.25 -2.03 0.00 0.00 175.02 174.09 4kbp h HIS 286 N 2.22 0.00 -3.17 3.16 2.76 -1.81 -3.31 115.15 115.00 4kbp h HIS 286 Ca -0.22 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.36 4kbp h HIS 286 Cb 1.22 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.11 4kbp h HIS 286 CO 0.27 0.28 0.73 0.45 -1.30 0.00 0.00 177.93 178.37 4kbp s SER 287 N -5.77 7.00 0.17 3.26 0.15 -1.26 -0.69 113.70 116.56 4kbp s SER 287 Ca -0.07 1.23 -0.31 0.00 0.70 0.00 0.00 55.95 57.50 4kbp s SER 287 Cb -0.00 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.70 4kbp s SER 287 CO 0.20 -0.67 1.40 -2.16 1.20 0.00 0.00 173.24 173.21 4kbp s PRO 288 N 3.20 4.32 0.17 5.44 0.04 -1.26 -4.81 135.00 142.10 4kbp s PRO 288 Ca 0.42 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.64 4kbp s PRO 288 Cb -0.15 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.22 4kbp s PRO 288 CO 0.08 -0.40 1.40 -0.07 0.04 0.00 0.00 177.00 178.04 4kbp h LEU 289 N 6.06 0.24 -7.99 -3.56 3.38 -1.95 -3.30 115.31 108.20 4kbp h LEU 289 Ca -0.44 -0.19 -0.67 0.00 0.09 0.00 0.00 57.88 56.67 4kbp h LEU 289 Cb 1.21 -0.07 -0.35 0.00 0.09 0.00 0.00 40.66 41.53 4kbp h LEU 289 CO 0.83 0.98 -0.82 -0.31 0.09 0.00 0.00 178.44 179.21 4kbp s TYR 290 N -3.25 3.04 -0.25 1.13 2.02 -1.26 -4.64 117.35 114.13 4kbp s TYR 290 Ca -0.03 -1.95 -0.12 0.00 -0.37 0.00 0.00 57.07 54.60 4kbp s TYR 290 Cb 0.10 -1.94 0.09 0.00 -0.40 0.00 0.00 41.96 39.81 4kbp s TYR 290 CO 0.82 -0.83 0.59 1.21 -1.57 0.00 0.00 175.55 175.77 4kbp s ASN 291 N 1.21 -0.82 -0.25 2.29 3.04 -1.26 -4.93 114.94 114.22 4kbp s ASN 291 Ca -0.02 1.33 0.13 0.00 0.04 0.00 0.00 52.86 54.34 4kbp s ASN 291 Cb -0.17 1.44 0.63 0.00 -1.54 0.00 0.00 41.25 41.61 4kbp s ASN 291 CO -0.08 -0.22 1.59 -1.54 -3.04 0.00 0.00 177.10 173.81 4kbp n SER 292 N 4.66 4.16 -4.95 -4.21 3.41 -1.26 -4.57 113.62 110.87 4kbp n SER 292 Ca -0.18 -3.21 -0.24 0.00 -0.26 0.00 0.00 58.87 54.99 4kbp n SER 292 Cb 0.55 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 4kbp n SER 292 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 4kbp s TYR 293 N -2.95 3.48 0.08 7.33 1.51 -1.26 -0.02 117.35 125.52 4kbp s TYR 293 Ca 0.48 0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 56.60 4kbp s TYR 293 Cb 0.39 -1.76 -0.13 0.00 -0.11 0.00 0.00 41.96 40.36 4kbp s TYR 293 CO 0.10 0.30 1.34 -0.91 -1.11 0.00 0.00 175.55 175.27 4kbp h ASN 294 N 1.20 0.76 -2.51 2.29 2.35 -1.77 -3.33 115.58 114.58 4kbp h ASN 294 Ca -0.50 -0.55 -0.54 0.00 -0.55 0.00 0.00 56.30 54.16 4kbp h ASN 294 Cb 1.22 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.38 4kbp h ASN 294 CO 0.63 1.18 1.14 -2.28 -1.65 0.00 0.00 177.43 176.44 4kbp s HIS 295 N -4.03 1.76 -1.40 1.19 2.46 -1.26 -1.68 115.29 112.33 4kbp s HIS 295 Ca -0.12 -0.09 -0.00 0.00 0.47 0.00 0.00 55.06 55.31 4kbp s HIS 295 Cb 0.08 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 4kbp s HIS 295 CO 0.85 -4.71 0.01 0.72 -2.47 0.00 0.00 174.74 169.14 4kbp n HIS 296 N 6.93 -0.80 -2.18 3.88 8.25 -1.26 -4.88 115.22 125.16 4kbp n HIS 296 Ca 0.18 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 4kbp n HIS 296 Cb 0.41 -3.35 -0.03 0.00 1.12 0.00 0.00 29.99 28.14 4kbp n HIS 296 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4kbp s PHE 297 N -2.83 2.86 -0.94 4.41 5.36 -0.67 -3.33 117.98 122.84 4kbp s PHE 297 Ca 0.00 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 4kbp s PHE 297 Cb -0.00 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 4kbp s PHE 297 CO 0.01 -2.58 0.00 -1.33 -1.46 0.00 0.00 175.22 169.85 4kbp n MET 298 N 5.19 -0.62 0.08 10.12 2.81 -1.26 -4.92 117.12 128.51 4kbp n MET 298 Ca 0.13 0.81 -0.05 0.00 -1.81 0.00 0.00 57.70 56.78 4kbp n MET 298 Cb 0.43 -4.69 -0.04 0.00 -0.71 0.00 0.00 33.22 28.21 4kbp n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 4kbp h GLU 299 N 0.00 0.00 0.00 0.03 5.08 -1.86 -3.11 114.58 114.72 4kbp h GLU 299 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 4kbp h GLU 299 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 4kbp h GLU 299 CO 0.27 0.90 0.00 0.41 -1.00 0.00 0.00 179.01 179.58 4kbp n GLY 300 N 1.06 -0.74 0.46 -3.84 0.00 -1.24 -3.96 105.19 96.93 4kbp n GLY 300 Ca -0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 4kbp n GLY 300 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 4kbp h GLU 301 N 0.00 -0.82 -0.40 1.61 4.39 -1.80 0.20 114.58 117.75 4kbp h GLU 301 Ca 0.00 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.82 4kbp h GLU 301 Cb 0.05 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 4kbp h GLU 301 CO 0.00 -0.55 -0.45 0.00 -1.16 0.00 0.00 179.01 176.85 4kbp h ALA 302 N -0.85 -0.50 -0.64 3.43 0.00 -1.84 0.22 119.26 119.07 4kbp h ALA 302 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 4kbp h ALA 302 Cb 0.78 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 4kbp h ALA 302 CO -0.13 -0.90 0.37 1.98 0.00 0.00 0.00 179.25 180.57 4kbp h MET 303 N -0.35 0.87 -0.14 0.00 1.85 -1.79 -1.93 114.93 113.44 4kbp h MET 303 Ca 0.12 -0.08 0.03 0.00 -0.61 0.00 0.00 59.70 59.16 4kbp h MET 303 Cb 0.59 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 4kbp h MET 303 CO -0.57 0.62 -0.03 -0.09 -0.40 0.00 0.00 176.91 176.44 4kbp h ARG 304 N 0.89 0.01 0.00 0.39 2.43 0.14 0.11 114.38 118.34 4kbp h ARG 304 Ca 0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 4kbp h ARG 304 Cb -0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 4kbp h ARG 304 CO -0.04 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.67 4kbp n THR 305 N -5.16 1.54 -0.05 0.20 -2.24 0.58 -1.58 114.28 107.56 4kbp n THR 305 Ca -0.04 0.52 -0.05 0.00 -2.27 0.00 0.00 64.05 62.21 4kbp n THR 305 Cb 0.09 -1.48 -0.10 0.00 -2.10 0.00 0.00 70.33 66.75 4kbp n THR 305 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 4kbp n LYS 306 N -1.76 1.88 -0.00 -0.78 4.81 -0.17 -4.80 118.16 117.34 4kbp n LYS 306 Ca 0.00 -0.02 0.01 0.00 -0.87 0.00 0.00 58.31 57.43 4kbp n LYS 306 Cb 0.04 -1.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 4kbp n LYS 306 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 4kbp n PHE 307 N -2.39 0.00 0.03 5.64 3.72 0.21 -4.77 117.46 119.89 4kbp n PHE 307 Ca -0.18 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 4kbp n PHE 307 Cb 0.84 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.33 4kbp n PHE 307 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 4kbp h GLU 308 N 0.00 -0.39 -0.94 -1.08 4.81 -1.49 -0.82 114.58 114.67 4kbp h GLU 308 Ca 0.00 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 4kbp h GLU 308 Cb 0.03 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 4kbp h GLU 308 CO 0.00 -0.26 0.60 0.00 -0.73 0.00 0.00 179.01 178.62 4kbp h ALA 309 N 0.42 1.79 -0.26 2.92 0.00 -1.86 -1.37 119.26 120.90 4kbp h ALA 309 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 4kbp h ALA 309 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 4kbp h ALA 309 CO -0.29 -0.08 0.15 -1.49 0.00 0.00 0.00 179.25 177.54 4kbp h TRP 310 N 0.72 0.35 -0.25 0.00 4.06 -1.49 0.83 115.95 120.18 4kbp h TRP 310 Ca 0.49 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.48 4kbp h TRP 310 Cb 0.79 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.80 4kbp h TRP 310 CO -0.00 0.29 0.01 0.74 -3.56 0.00 0.00 178.44 175.92 4kbp h PHE 311 N 0.32 0.01 -0.22 0.49 0.04 -0.55 0.60 116.94 117.64 4kbp h PHE 311 Ca 0.09 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 4kbp h PHE 311 Cb 0.04 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 4kbp h PHE 311 CO -0.04 -0.02 0.05 0.28 -0.60 0.00 0.00 178.31 177.98 4kbp h VAL 312 N 0.10 1.21 -0.83 -0.55 2.07 -0.83 -0.55 116.25 116.85 4kbp h VAL 312 Ca 0.12 -0.67 0.14 0.00 0.82 0.00 0.00 66.70 67.10 4kbp h VAL 312 Cb 0.15 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 4kbp h VAL 312 CO -0.19 0.21 0.54 0.50 0.02 0.00 0.00 177.57 178.66 4kbp h LYS 313 N 0.18 0.60 -0.47 1.57 3.64 0.13 -1.11 116.57 121.11 4kbp h LYS 313 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 4kbp h LYS 313 Cb 0.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 4kbp h LYS 313 CO 0.00 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 4kbp n TYR 314 N -4.53 0.61 -3.63 1.91 4.02 0.15 -4.98 117.16 110.71 4kbp n TYR 314 Ca 0.16 -0.31 -0.21 0.00 -0.01 0.00 0.00 57.90 57.53 4kbp n TYR 314 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 4kbp n TYR 314 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 4kbp n LYS 315 N 1.48 -5.79 -2.16 -0.72 5.02 -0.29 -4.89 118.16 110.81 4kbp n LYS 315 Ca 0.21 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 4kbp n LYS 315 Cb 0.60 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 30.09 4kbp n LYS 315 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 4kbp s VAL 316 N -3.50 2.99 0.03 -0.18 -7.23 -0.78 -4.72 120.40 107.01 4kbp s VAL 316 Ca 0.12 0.86 -0.29 0.00 -1.81 0.00 0.00 61.98 60.87 4kbp s VAL 316 Cb -0.06 -3.55 -0.17 0.00 0.56 0.00 0.00 36.38 33.16 4kbp s VAL 316 CO 0.78 0.15 1.34 0.44 -0.31 0.00 0.00 175.10 177.50 4kbp h ASP 317 N 4.73 -0.72 -4.34 4.85 3.32 -1.68 -3.19 116.42 119.39 4kbp h ASP 317 Ca -0.46 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.29 4kbp h ASP 317 Cb 1.22 0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.80 4kbp h ASP 317 CO 0.74 -0.40 -0.71 -0.69 -1.72 0.00 0.00 179.24 176.46 4kbp s VAL 318 N -5.21 0.91 -0.23 -1.35 1.01 -1.24 -1.96 120.40 112.32 4kbp s VAL 318 Ca -0.16 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 59.89 4kbp s VAL 318 Cb 0.02 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.84 4kbp s VAL 318 CO 0.53 -0.75 0.10 -0.69 0.00 0.00 0.00 175.10 174.28 4kbp s VAL 319 N -3.22 0.14 0.04 2.92 1.01 -0.75 -2.35 120.40 118.18 4kbp s VAL 319 Ca 0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 4kbp s VAL 319 Cb 0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 4kbp s VAL 319 CO -0.02 -0.48 0.56 -0.36 0.00 0.00 0.00 175.10 174.81 4kbp s PHE 320 N 2.01 3.75 0.23 5.22 0.08 -0.47 -1.98 117.98 126.82 4kbp s PHE 320 Ca 0.05 1.22 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 4kbp s PHE 320 Cb -0.16 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 4kbp s PHE 320 CO -0.21 0.50 0.19 0.00 -0.10 0.00 0.00 175.22 175.61 4kbp s ALA 321 N -0.75 1.15 0.00 5.36 0.00 -0.99 -2.26 121.76 124.27 4kbp s ALA 321 Ca 0.29 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.56 4kbp s ALA 321 Cb -0.19 1.37 0.00 0.00 0.00 0.00 0.00 23.12 24.30 4kbp s ALA 321 CO 0.18 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.72 4kbp n GLY 322 N -0.34 3.64 4.54 0.00 0.00 0.13 -0.69 105.19 112.48 4kbp n GLY 322 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.66 4kbp n GLY 322 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 4kbp n HIS 323 N 0.00 0.00 -3.51 1.61 -0.00 -1.24 -4.33 115.22 107.74 4kbp n HIS 323 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 4kbp n HIS 323 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 4kbp n HIS 323 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 4kbp s VAL 324 N 0.00 5.26 -1.06 3.57 1.01 -1.26 -4.96 120.40 122.96 4kbp s VAL 324 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 4kbp s VAL 324 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 4kbp s VAL 324 CO 0.00 0.24 2.02 1.41 0.00 0.00 0.00 175.10 178.77 4kbp n HIS 325 N 4.88 2.64 -3.96 5.22 -0.00 -1.25 -3.48 115.22 119.27 4kbp n HIS 325 Ca -0.12 -2.23 0.01 0.00 -0.00 0.00 0.00 57.72 55.39 4kbp n HIS 325 Cb 0.51 -2.11 0.01 0.00 -0.00 0.00 0.00 29.99 28.41 4kbp n HIS 325 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 4kbp n ALA 326 N 7.57 -3.05 -2.46 -1.41 0.00 -1.26 -1.10 120.51 118.80 4kbp n ALA 326 Ca 0.50 -0.75 -0.29 0.00 0.00 0.00 0.00 53.44 52.89 4kbp n ALA 326 Cb 0.41 0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 4kbp n ALA 326 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 4kbp s TYR 327 N -2.21 2.48 -0.20 0.00 5.04 0.79 -3.49 117.35 119.75 4kbp s TYR 327 Ca 0.26 -0.29 -0.27 0.00 -2.44 0.00 0.00 57.07 54.32 4kbp s TYR 327 Cb -0.01 -1.33 0.10 0.00 0.35 0.00 0.00 41.96 41.06 4kbp s TYR 327 CO 0.00 0.36 0.85 -2.00 -1.34 0.00 0.00 175.55 173.43 4kbp s GLU 328 N -2.05 0.75 0.03 4.97 2.12 -1.11 -0.98 118.70 122.42 4kbp s GLU 328 Ca 0.17 0.55 0.03 0.00 0.36 0.00 0.00 54.97 56.07 4kbp s GLU 328 Cb -0.10 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 4kbp s GLU 328 CO 0.09 -0.16 -0.09 0.50 -0.54 0.00 0.00 175.26 175.06 4kbp s ARG 329 N -0.32 0.60 0.51 4.30 3.52 0.88 -1.34 118.95 127.10 4kbp s ARG 329 Ca -0.02 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 4kbp s ARG 329 Cb -0.03 -0.50 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 4kbp s ARG 329 CO 0.01 0.12 0.18 0.43 -0.81 0.00 0.00 175.30 175.23 4kbp n SER 330 N 2.08 3.06 -4.92 -2.12 7.64 -0.93 -0.50 113.62 117.93 4kbp n SER 330 Ca -0.18 -3.01 -0.28 0.00 1.01 0.00 0.00 58.87 56.41 4kbp n SER 330 Cb 0.56 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 4kbp n SER 330 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 4kbp s GLU 331 N -3.97 3.55 -0.17 1.43 0.41 -0.17 -4.50 118.70 115.28 4kbp s GLU 331 Ca 0.14 -0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.16 4kbp s GLU 331 Cb -0.01 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 29.49 4kbp s GLU 331 CO 0.09 0.37 1.78 1.03 -0.49 0.00 0.00 175.26 178.04 4kbp s ARG 332 N -3.30 3.74 0.01 1.61 0.52 -1.26 -4.62 118.95 115.65 4kbp s ARG 332 Ca 0.40 1.90 -0.08 0.00 -0.52 0.00 0.00 55.73 57.42 4kbp s ARG 332 Cb -0.11 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.25 4kbp s ARG 332 CO 0.29 -1.37 0.16 0.08 0.02 0.00 0.00 175.30 174.48 4kbp s VAL 333 N 5.60 0.08 0.20 3.52 1.01 -1.24 -1.35 120.40 128.22 4kbp s VAL 333 Ca 0.79 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.11 4kbp s VAL 333 Cb -0.30 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 4kbp s VAL 333 CO 0.32 -0.38 0.00 -0.94 0.00 0.00 0.00 175.10 174.10 4kbp s SER 334 N -1.47 1.48 -0.41 3.32 1.04 -0.71 -4.67 113.70 112.28 4kbp s SER 334 Ca -0.14 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.19 4kbp s SER 334 Cb -0.07 0.07 0.37 0.00 0.10 0.00 0.00 66.02 66.50 4kbp s SER 334 CO 0.01 -0.55 1.10 -3.20 0.98 0.00 0.00 173.24 171.59 4kbp n ASN 335 N -0.32 -1.10 -1.76 7.02 5.15 -1.26 -1.50 115.26 121.49 4kbp n ASN 335 Ca -0.06 -3.06 -0.19 0.00 -0.60 0.00 0.00 54.58 50.68 4kbp n ASN 335 Cb 0.64 0.84 0.11 0.00 -0.53 0.00 0.00 39.78 40.84 4kbp n ASN 335 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 4kbp n ILE 336 N -0.01 2.82 0.17 -1.44 -5.35 -1.26 -4.57 119.36 109.72 4kbp n ILE 336 Ca 0.07 -3.25 0.02 0.00 -0.27 0.00 0.00 62.75 59.32 4kbp n ILE 336 Cb 0.76 -0.78 -0.00 0.00 -1.74 0.00 0.00 39.64 37.87 4kbp n ILE 336 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 4kbp n ALA 337 N -0.95 2.48 -1.78 -1.28 0.00 -1.26 -5.04 120.51 112.68 4kbp n ALA 337 Ca 0.45 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 4kbp n ALA 337 Cb 0.96 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.27 4kbp n ALA 337 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 4kbp s TYR 338 N -0.82 2.64 -0.08 0.00 5.04 -1.12 -4.78 117.35 118.24 4kbp s TYR 338 Ca 0.03 1.17 0.25 0.00 -2.44 0.00 0.00 57.07 56.08 4kbp s TYR 338 Cb 0.03 -3.99 0.45 0.00 0.35 0.00 0.00 41.96 38.80 4kbp s TYR 338 CO 0.10 -2.92 1.15 1.63 -1.34 0.00 0.00 175.55 174.18 4kbp n LYS 339 N 0.60 0.54 0.00 4.97 4.76 -1.26 -5.04 118.16 122.72 4kbp n LYS 339 Ca 0.01 -2.46 0.00 0.00 -2.87 0.00 0.00 58.31 52.99 4kbp n LYS 339 Cb 0.39 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 4kbp n LYS 339 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 4kbp n ILE 340 N 0.16 0.00 0.20 -0.18 2.08 -1.26 -3.95 119.36 116.41 4kbp n ILE 340 Ca 0.07 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.49 4kbp n ILE 340 Cb 1.04 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.92 4kbp n ILE 340 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 4kbp n THR 341 N 0.00 0.42 1.48 1.39 -2.24 -1.26 -4.24 114.28 109.83 4kbp n THR 341 Ca 0.00 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.40 4kbp n THR 341 Cb 0.00 -0.17 0.54 0.00 -2.10 0.00 0.00 70.33 68.60 4kbp n THR 341 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 4kbp n ASP 342 N -2.44 0.00 0.00 3.42 5.75 -1.25 -4.89 116.55 117.13 4kbp n ASP 342 Ca -0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 4kbp n ASP 342 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 4kbp n ASP 342 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 4kbp n GLY 343 N 0.43 0.00 2.58 6.12 0.00 -1.26 -4.87 105.19 108.19 4kbp n GLY 343 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 4kbp n GLY 343 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4kbp n LEU 344 N 0.00 7.68 -2.62 0.99 4.77 -1.26 -4.71 117.00 121.85 4kbp n LEU 344 Ca 0.00 -4.56 -0.29 0.00 -0.03 0.00 0.00 56.01 51.13 4kbp n LEU 344 Cb 0.39 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 4kbp n LEU 344 CO 0.00 1.72 0.43 0.00 -1.33 0.00 0.00 177.39 178.21 4kbp s THR 346 N -5.34 0.19 -0.09 0.00 2.01 -1.26 -5.10 115.64 106.05 4kbp s THR 346 Ca 0.49 0.14 -0.36 0.00 0.31 0.00 0.00 61.69 62.26 4kbp s THR 346 Cb 0.39 -0.33 -0.14 0.00 0.01 0.00 0.00 72.50 72.44 4kbp s THR 346 CO -0.22 0.18 1.74 -2.65 -0.69 0.00 0.00 174.62 172.99 4kbp n PRO 347 N 4.56 1.78 -4.35 4.92 -0.02 -1.26 -4.84 135.00 135.80 4kbp n PRO 347 Ca -0.18 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 4kbp n PRO 347 Cb 0.50 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 4kbp n PRO 347 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 4kbp s VAL 348 N 3.10 2.72 0.36 -1.45 -7.23 -0.56 -4.89 120.40 112.45 4kbp s VAL 348 Ca 0.91 -1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 59.27 4kbp s VAL 348 Cb -0.83 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 33.77 4kbp s VAL 348 CO 0.53 0.11 1.49 1.17 -0.31 0.00 0.00 175.10 178.09 4kbp n LYS 349 N 0.87 2.62 -3.70 4.82 4.81 -1.26 -1.74 118.16 124.58 4kbp n LYS 349 Ca -0.16 0.92 -0.14 0.00 -0.87 0.00 0.00 58.31 58.06 4kbp n LYS 349 Cb 0.53 -2.65 -0.14 0.00 0.02 0.00 0.00 35.03 32.79 4kbp n LYS 349 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 4kbp s ASP 350 N -0.03 0.22 -0.00 3.14 -1.08 -0.46 -4.75 116.67 113.70 4kbp s ASP 350 Ca 0.55 0.45 0.08 0.00 -0.52 0.00 0.00 52.55 53.11 4kbp s ASP 350 Cb -0.49 0.41 0.24 0.00 -1.46 0.00 0.00 42.92 41.62 4kbp s ASP 350 CO 0.61 -0.20 1.19 0.00 0.52 0.00 0.00 175.17 177.29 4kbp n GLN 351 N 4.84 1.66 -0.00 4.34 1.13 -1.26 -2.92 117.38 125.16 4kbp n GLN 351 Ca -0.14 -0.99 0.07 0.00 -1.94 0.00 0.00 57.00 53.99 4kbp n GLN 351 Cb 0.51 -1.23 -0.09 0.00 0.11 0.00 0.00 30.24 29.54 4kbp n GLN 351 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 4kbp n SER 352 N 0.30 1.09 -4.84 1.08 7.64 -1.26 -4.98 113.62 112.65 4kbp n SER 352 Ca 0.09 -0.49 -0.32 0.00 1.01 0.00 0.00 58.87 59.16 4kbp n SER 352 Cb 0.24 1.26 -0.03 0.00 -1.01 0.00 0.00 64.21 64.67 4kbp n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4kbp s ALA 353 N -2.57 3.05 0.80 -0.43 0.00 -1.15 -4.16 121.76 117.30 4kbp s ALA 353 Ca 0.01 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 4kbp s ALA 353 Cb 0.10 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.19 4kbp s ALA 353 CO 0.57 -0.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.98 4kbp s PRO 354 N -4.03 1.77 -0.14 0.00 0.04 -1.21 -4.64 135.00 126.80 4kbp s PRO 354 Ca 0.59 -0.20 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 4kbp s PRO 354 Cb -0.10 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 4kbp s PRO 354 CO 0.31 -1.62 0.45 0.08 0.04 0.00 0.00 177.00 176.26 4kbp s VAL 355 N -3.49 5.20 -0.35 -0.36 1.01 -0.83 -4.09 120.40 117.49 4kbp s VAL 355 Ca 0.64 0.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 4kbp s VAL 355 Cb -0.09 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 4kbp s VAL 355 CO 0.48 0.32 0.26 -0.31 0.00 0.00 0.00 175.10 175.85 4kbp s TYR 356 N 0.73 3.23 0.10 5.22 1.51 -1.26 -1.82 117.35 125.06 4kbp s TYR 356 Ca 0.24 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 4kbp s TYR 356 Cb -0.15 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 4kbp s TYR 356 CO 0.09 -0.40 -0.05 0.42 -1.11 0.00 0.00 175.55 174.49 4kbp s ILE 357 N 1.74 3.66 -0.14 2.71 1.01 -0.84 -2.19 121.20 127.16 4kbp s ILE 357 Ca 0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 4kbp s ILE 357 Cb -0.18 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.61 4kbp s ILE 357 CO 0.11 0.11 -0.01 0.42 0.00 0.00 0.00 174.94 175.56 4kbp s THR 358 N -1.27 0.72 -0.47 2.92 -4.23 -0.45 -2.35 115.64 110.51 4kbp s THR 358 Ca 0.23 -0.37 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 4kbp s THR 358 Cb -0.11 -0.98 0.40 0.00 1.34 0.00 0.00 72.50 73.15 4kbp s THR 358 CO 0.16 0.09 1.07 2.30 -0.54 0.00 0.00 174.62 177.69 4kbp n ILE 359 N 5.01 2.51 -0.15 2.99 -0.00 0.14 -2.76 119.36 127.09 4kbp n ILE 359 Ca -0.10 -5.06 -0.12 0.00 -0.00 0.00 0.00 62.75 57.47 4kbp n ILE 359 Cb 0.48 -1.26 0.07 0.00 -0.00 0.00 0.00 39.64 38.93 4kbp n ILE 359 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 4kbp n GLY 360 N -0.41 3.28 1.50 3.28 0.00 -1.23 -2.68 105.19 108.93 4kbp n GLY 360 Ca 0.36 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 4kbp n GLY 360 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4kbp n ASP 361 N -0.14 2.88 0.01 1.61 5.75 -1.25 -3.89 116.55 121.53 4kbp n ASP 361 Ca 0.27 -3.72 0.13 0.00 -0.01 0.00 0.00 54.79 51.45 4kbp n ASP 361 Cb 0.96 -0.70 0.54 0.00 -1.03 0.00 0.00 41.12 40.89 4kbp n ASP 361 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4kbp n ALA 362 N -1.12 2.18 0.00 2.12 0.00 -1.11 -0.98 120.51 121.60 4kbp n ALA 362 Ca 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.78 4kbp n ALA 362 Cb 1.24 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.26 4kbp n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4kbp n GLY 363 N 1.15 3.20 7.00 0.00 0.00 -1.25 -3.96 105.19 111.34 4kbp n GLY 363 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.64 4kbp n GLY 363 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 4kbp n ASN 364 N 0.00 0.00 -1.78 1.61 6.94 0.35 -0.34 115.26 122.04 4kbp n ASN 364 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 4kbp n ASN 364 Cb 0.00 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.51 4kbp n ASN 364 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 4kbp n TYR 365 N 12.19 1.79 -1.75 -2.53 4.11 -1.26 -3.15 117.16 126.55 4kbp n TYR 365 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.90 56.37 4kbp n TYR 365 Cb 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 39.34 38.57 4kbp n TYR 365 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 4kbp n GLY 366 N -0.28 0.70 3.06 -7.48 0.00 0.54 -3.60 105.19 98.12 4kbp n GLY 366 Ca 0.35 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 4kbp n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4kbp s VAL 367 N -2.16 0.96 0.00 1.61 1.01 -1.24 -4.96 120.40 115.63 4kbp s VAL 367 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.53 4kbp s VAL 367 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 4kbp s VAL 367 CO 0.00 0.28 -0.08 -0.63 0.00 0.00 0.00 175.10 174.67 4kbp s ILE 368 N -0.06 3.54 -0.47 2.22 -1.09 -1.26 -4.84 121.20 119.23 4kbp s ILE 368 Ca 0.01 -0.80 -0.20 0.00 -2.23 0.00 0.00 60.65 57.43 4kbp s ILE 368 Cb -0.07 -2.53 0.04 0.00 -1.58 0.00 0.00 42.46 38.32 4kbp s ILE 368 CO 0.00 0.41 0.62 -1.81 -1.23 0.00 0.00 174.94 172.93 4kbp s ASP 369 N -1.36 6.26 -0.22 3.58 1.01 -0.26 -4.91 116.67 120.77 4kbp s ASP 369 Ca 0.16 -0.65 0.10 0.00 0.71 0.00 0.00 52.55 52.88 4kbp s ASP 369 Cb -0.11 -2.30 -0.21 0.00 1.01 0.00 0.00 42.92 41.31 4kbp s ASP 369 CO 0.07 -0.83 -0.07 -1.54 0.21 0.00 0.00 175.17 173.01 4kbp n SER 370 N 6.19 1.00 -4.74 0.27 3.41 -1.26 -4.68 113.62 113.81 4kbp n SER 370 Ca -0.04 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 4kbp n SER 370 Cb 0.47 0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.74 4kbp n SER 370 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 4kbp s ASN 371 N -5.91 6.60 0.27 4.04 0.01 -1.26 -4.94 114.94 113.74 4kbp s ASN 371 Ca -0.21 2.71 0.04 0.00 -0.71 0.00 0.00 52.86 54.69 4kbp s ASN 371 Cb 0.07 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 4kbp s ASN 371 CO 0.71 -0.75 0.01 0.00 -1.51 0.00 0.00 177.10 175.56 4kbp s MET 372 N -0.30 1.49 -0.23 -0.60 0.23 -1.26 -2.58 119.30 116.05 4kbp s MET 372 Ca 0.61 -1.78 -0.29 0.00 -1.03 0.00 0.00 55.69 53.19 4kbp s MET 372 Cb -0.43 -0.82 -0.02 0.00 -1.53 0.00 0.00 34.83 32.03 4kbp s MET 372 CO 0.43 -0.10 1.54 0.42 -2.03 0.00 0.00 175.02 175.28 4kbp s ILE 373 N -3.29 3.80 -0.16 3.16 -1.09 0.97 -4.67 121.20 119.92 4kbp s ILE 373 Ca 0.32 0.91 -0.06 0.00 -2.23 0.00 0.00 60.65 59.58 4kbp s ILE 373 Cb 0.06 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 4kbp s ILE 373 CO 0.12 -0.32 0.05 -1.10 -1.23 0.00 0.00 174.94 172.46 4kbp s GLN 374 N 4.51 3.81 0.49 2.79 1.11 -1.26 -3.75 119.66 127.35 4kbp s GLN 374 Ca 0.68 -0.36 -0.05 0.00 0.01 0.00 0.00 55.36 55.64 4kbp s GLN 374 Cb -0.23 -3.13 -0.03 0.00 -1.01 0.00 0.00 33.01 28.60 4kbp s GLN 374 CO 0.27 0.35 0.79 -1.25 0.01 0.00 0.00 175.29 175.46 4kbp s PRO 375 N 0.15 3.50 -0.27 2.91 0.04 -1.26 -5.08 135.00 134.99 4kbp s PRO 375 Ca 0.04 0.17 -0.36 0.00 0.04 0.00 0.00 61.00 60.89 4kbp s PRO 375 Cb -0.12 -2.37 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 4kbp s PRO 375 CO 0.01 -0.24 2.02 0.94 0.04 0.00 0.00 177.00 179.77 4kbp n GLN 376 N -2.28 1.38 -1.18 4.56 7.27 -1.25 -4.86 117.38 121.04 4kbp n GLN 376 Ca 0.01 0.45 -0.32 0.00 0.07 0.00 0.00 57.00 57.21 4kbp n GLN 376 Cb 0.55 -2.45 0.11 0.00 2.41 0.00 0.00 30.24 30.86 4kbp n GLN 376 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 4kbp s PRO 377 N 5.13 1.91 0.22 3.69 0.04 -1.26 -4.91 135.00 139.82 4kbp s PRO 377 Ca 1.03 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 4kbp s PRO 377 Cb -0.85 -1.84 0.34 0.00 0.04 0.00 0.00 34.50 32.19 4kbp s PRO 377 CO 0.53 -1.94 1.69 0.93 0.04 0.00 0.00 177.00 178.25 4kbp h GLU 378 N -1.07 0.22 0.00 4.56 3.07 -1.98 -0.72 114.58 118.66 4kbp h GLU 378 Ca -0.44 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 4kbp h GLU 378 Cb 1.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 4kbp h GLU 378 CO 0.48 0.15 -0.00 0.10 -1.40 0.00 0.00 179.01 178.34 4kbp h TYR 379 N 0.23 0.00 -3.30 4.33 -0.00 -1.91 -3.41 116.97 112.91 4kbp h TYR 379 Ca 0.35 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 58.48 4kbp h TYR 379 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 37.20 4kbp h TYR 379 CO -0.28 0.00 0.54 0.45 -0.00 0.00 0.00 178.16 178.87 4kbp s SER 380 N -5.34 6.83 0.01 0.10 0.15 -0.28 -0.99 113.70 114.17 4kbp s SER 380 Ca -0.03 0.98 0.08 0.00 0.70 0.00 0.00 55.95 57.69 4kbp s SER 380 Cb 0.12 -2.45 -0.23 0.00 -1.71 0.00 0.00 66.02 61.74 4kbp s SER 380 CO 0.46 -0.60 0.85 0.00 1.20 0.00 0.00 173.24 175.14 4kbp h ALA 381 N 7.81 0.58 -1.67 5.45 0.00 -1.02 -3.45 119.26 126.97 4kbp h ALA 381 Ca -0.23 -1.27 0.06 0.00 0.00 0.00 0.00 54.91 53.47 4kbp h ALA 381 Cb 1.09 0.29 -0.25 0.00 0.00 0.00 0.00 17.79 18.91 4kbp h ALA 381 CO 0.91 1.43 0.37 0.12 0.00 0.00 0.00 179.25 182.08 4kbp s PHE 382 N -2.63 -0.57 -0.08 0.00 2.19 -0.82 -4.97 117.98 111.10 4kbp s PHE 382 Ca -0.04 1.32 -0.10 0.00 0.33 0.00 0.00 56.93 58.44 4kbp s PHE 382 Cb 0.08 0.37 0.02 0.00 -1.31 0.00 0.00 43.02 42.18 4kbp s PHE 382 CO 0.82 -0.28 0.26 -0.98 1.83 0.00 0.00 175.22 176.88 4kbp s ARG 383 N 0.56 0.38 -0.14 10.12 1.04 -1.26 -0.09 118.95 129.56 4kbp s ARG 383 Ca -0.00 0.23 -0.18 0.00 -1.04 0.00 0.00 55.73 54.74 4kbp s ARG 383 Cb -0.05 0.18 0.04 0.00 -2.04 0.00 0.00 34.95 33.08 4kbp s ARG 383 CO -0.08 -0.06 0.47 -2.00 -0.04 0.00 0.00 175.30 173.59 4kbp s GLU 384 N -0.19 0.63 -1.16 3.89 2.12 -0.15 -4.98 118.70 118.87 4kbp s GLU 384 Ca -0.03 0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.67 4kbp s GLU 384 Cb -0.03 0.30 0.24 0.00 0.26 0.00 0.00 34.13 34.91 4kbp s GLU 384 CO 0.01 -0.12 1.37 0.00 -0.54 0.00 0.00 175.26 175.98 4kbp n ALA 385 N 2.33 4.49 -2.48 6.30 0.00 -1.26 -0.15 120.51 129.74 4kbp n ALA 385 Ca -0.15 -4.55 -0.09 0.00 0.00 0.00 0.00 53.44 48.65 4kbp n ALA 385 Cb 0.57 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 4kbp n ALA 385 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 4kbp s SER 386 N 0.99 0.53 0.36 0.00 0.01 -1.26 -4.97 113.70 109.35 4kbp s SER 386 Ca 0.35 -0.79 -0.23 0.00 1.31 0.00 0.00 55.95 56.59 4kbp s SER 386 Cb -0.03 0.14 -0.10 0.00 0.21 0.00 0.00 66.02 66.24 4kbp s SER 386 CO -0.01 -0.44 0.92 -0.36 0.41 0.00 0.00 173.24 173.76 4kbp s PHE 387 N -2.80 3.51 -2.20 2.43 0.08 -1.26 -4.49 117.98 113.25 4kbp s PHE 387 Ca -0.02 1.66 0.00 0.00 0.12 0.00 0.00 56.93 58.69 4kbp s PHE 387 Cb -0.00 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 4kbp s PHE 387 CO -0.05 0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 4kbp n GLY 388 N 0.02 -1.37 3.30 4.36 0.00 -0.15 -0.54 105.19 110.80 4kbp n GLY 388 Ca 0.04 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 4kbp n GLY 388 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 4kbp s HIS 389 N -2.89 1.57 0.30 1.61 -3.43 -1.20 -3.35 115.29 107.90 4kbp s HIS 389 Ca 0.00 -1.57 0.03 0.00 -0.80 0.00 0.00 55.06 52.72 4kbp s HIS 389 Cb 0.00 -0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 30.49 4kbp s HIS 389 CO 0.00 -0.86 0.10 0.20 -2.00 0.00 0.00 174.74 172.18 4kbp s GLY 390 N -3.32 1.99 -0.01 -1.38 0.00 0.03 -2.25 107.32 102.39 4kbp s GLY 390 Ca 0.39 -1.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 4kbp s GLY 390 CO 0.24 -1.68 0.03 1.06 0.00 0.00 0.00 173.10 172.75 4kbp s MET 391 N -3.92 0.01 -0.28 2.90 -1.94 -0.85 -0.35 119.30 114.88 4kbp s MET 391 Ca 0.35 0.07 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 4kbp s MET 391 Cb 0.07 -0.05 0.08 0.00 2.01 0.00 0.00 34.83 36.94 4kbp s MET 391 CO 0.15 -0.04 -0.02 0.12 -0.01 0.00 0.00 175.02 175.21 4kbp s PHE 392 N 0.26 3.09 -0.50 -0.03 5.36 -0.26 -1.24 117.98 124.67 4kbp s PHE 392 Ca -0.02 -2.37 -0.14 0.00 -0.96 0.00 0.00 56.93 53.44 4kbp s PHE 392 Cb -0.03 -2.16 0.10 0.00 -0.34 0.00 0.00 43.02 40.59 4kbp s PHE 392 CO -0.01 -0.88 0.42 0.34 -1.46 0.00 0.00 175.22 173.63 4kbp s ASP 393 N 1.15 6.05 -0.05 6.13 -1.08 0.63 -1.62 116.67 127.88 4kbp s ASP 393 Ca 0.00 -1.63 -0.30 0.00 -0.52 0.00 0.00 52.55 50.10 4kbp s ASP 393 Cb -0.19 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.09 4kbp s ASP 393 CO -0.08 -0.73 1.17 -0.63 0.52 0.00 0.00 175.17 175.41 4kbp s ILE 394 N 1.56 4.33 -0.17 4.11 1.01 -0.04 -0.67 121.20 131.33 4kbp s ILE 394 Ca 0.04 1.65 -0.10 0.00 0.00 0.00 0.00 60.65 62.24 4kbp s ILE 394 Cb -0.27 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.07 4kbp s ILE 394 CO 0.03 0.02 -0.24 0.29 0.00 0.00 0.00 174.94 175.05 4kbp n LYS 395 N 4.98 0.38 -2.08 2.79 4.76 0.38 -2.20 118.16 127.17 4kbp n LYS 395 Ca 0.10 0.17 -0.01 0.00 -2.87 0.00 0.00 58.31 55.70 4kbp n LYS 395 Cb 0.47 -1.15 -0.00 0.00 -1.84 0.00 0.00 35.03 32.50 4kbp n LYS 395 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 4kbp n ASN 396 N -3.89 1.28 0.01 4.39 3.02 -0.01 -4.36 115.26 115.70 4kbp n ASN 396 Ca -0.31 -1.07 0.12 0.00 -0.03 0.00 0.00 54.58 53.29 4kbp n ASN 396 Cb 0.68 0.03 0.32 0.00 -0.61 0.00 0.00 39.78 40.19 4kbp n ASN 396 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 4kbp n ARG 397 N -0.03 0.05 -0.04 3.52 1.85 -1.25 -3.98 116.66 116.78 4kbp n ARG 397 Ca -0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 57.85 56.84 4kbp n ARG 397 Cb 0.02 -1.54 -0.07 0.00 -1.05 0.00 0.00 32.46 29.82 4kbp n ARG 397 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 4kbp n THR 398 N -1.61 0.49 -5.22 8.89 -2.24 -1.26 -4.62 114.28 108.71 4kbp n THR 398 Ca 0.05 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 4kbp n THR 398 Cb 0.35 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 4kbp n THR 398 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 4kbp s HIS 399 N -2.29 2.41 -0.09 4.78 3.76 -1.26 -1.73 115.29 120.88 4kbp s HIS 399 Ca -0.04 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 4kbp s HIS 399 Cb 0.03 -1.53 0.03 0.00 1.11 0.00 0.00 32.58 32.22 4kbp s HIS 399 CO 0.36 -0.00 0.30 0.00 -0.85 0.00 0.00 174.74 174.55 4kbp s ALA 400 N -0.61 -0.75 -0.12 -1.40 0.00 -1.11 -0.47 121.76 117.29 4kbp s ALA 400 Ca 0.10 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.77 4kbp s ALA 400 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.69 4kbp s ALA 400 CO -0.01 -0.18 -0.14 -1.58 0.00 0.00 0.00 175.76 173.85 4kbp s HIS 401 N -0.26 2.00 0.00 0.00 2.46 0.15 0.54 115.29 120.19 4kbp s HIS 401 Ca -0.04 -1.00 -0.05 0.00 0.47 0.00 0.00 55.06 54.44 4kbp s HIS 401 Cb -0.03 -1.46 -0.04 0.00 -0.13 0.00 0.00 32.58 30.91 4kbp s HIS 401 CO 0.01 -0.54 0.24 0.12 -2.47 0.00 0.00 174.74 172.11 4kbp s PHE 402 N 1.18 3.56 0.04 3.88 5.36 -0.13 -0.27 117.98 131.61 4kbp s PHE 402 Ca -0.02 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 56.44 4kbp s PHE 402 Cb -0.14 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 4kbp s PHE 402 CO -0.05 0.62 -0.03 -1.12 -1.46 0.00 0.00 175.22 173.18 4kbp s SER 403 N -1.79 0.41 -0.11 6.13 0.01 -0.37 -1.53 113.70 116.46 4kbp s SER 403 Ca 0.28 -0.81 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 4kbp s SER 403 Cb -0.13 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.30 4kbp s SER 403 CO 0.17 -0.48 0.00 0.86 0.41 0.00 0.00 173.24 174.20 4kbp s TRP 404 N -2.98 0.83 -0.29 2.43 -0.00 -0.53 -2.00 118.94 116.40 4kbp s TRP 404 Ca -0.02 -0.39 -0.08 0.00 -0.00 0.00 0.00 56.10 55.61 4kbp s TRP 404 Cb 0.01 -0.90 -0.01 0.00 -0.00 0.00 0.00 33.47 32.57 4kbp s TRP 404 CO -0.06 -0.42 0.11 1.21 -0.00 0.00 0.00 176.95 177.79 4kbp s ASN 405 N 1.92 5.36 0.54 5.86 3.84 -0.95 -1.00 114.94 130.51 4kbp s ASN 405 Ca 0.04 -0.41 -0.18 0.00 0.21 0.00 0.00 52.86 52.51 4kbp s ASN 405 Cb -0.13 -1.96 -0.06 0.00 -0.55 0.00 0.00 41.25 38.54 4kbp s ASN 405 CO -0.06 -0.13 1.06 -0.13 -2.79 0.00 0.00 177.10 175.05 4kbp s ARG 406 N 1.60 3.52 0.35 0.43 0.52 -1.26 -3.27 118.95 120.85 4kbp s ARG 406 Ca 0.05 1.32 0.14 0.00 -0.52 0.00 0.00 55.73 56.72 4kbp s ARG 406 Cb -0.16 -2.05 0.66 0.00 0.52 0.00 0.00 34.95 33.91 4kbp s ARG 406 CO 0.05 -0.66 1.77 -0.91 0.02 0.00 0.00 175.30 175.57 4kbp h ASN 407 N 0.99 0.00 0.69 0.23 4.21 -1.19 -2.82 115.58 117.69 4kbp h ASN 407 Ca -0.48 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 56.92 4kbp h ASN 407 Cb 1.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 4kbp h ASN 407 CO 0.58 0.42 -0.53 1.56 -1.29 0.00 0.00 177.43 178.17 4kbp h GLN 408 N 0.00 0.00 -7.67 0.81 7.50 -1.92 -3.45 115.11 110.38 4kbp h GLN 408 Ca -0.00 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.69 4kbp h GLN 408 Cb 0.79 0.00 0.14 0.00 0.05 0.00 0.00 27.48 28.46 4kbp h GLN 408 CO 0.06 0.53 0.38 -0.51 -1.50 0.00 0.00 178.83 177.79 4kbp s ASP 409 N -6.72 3.49 0.63 1.46 1.01 -1.07 -5.04 116.67 110.44 4kbp s ASP 409 Ca -0.01 0.57 -0.10 0.00 0.71 0.00 0.00 52.55 53.73 4kbp s ASP 409 Cb 0.12 -0.87 -0.01 0.00 1.01 0.00 0.00 42.92 43.18 4kbp s ASP 409 CO 0.74 -2.52 1.01 -0.83 0.21 0.00 0.00 175.17 173.77 4kbp s GLY 410 N -4.58 1.62 0.53 0.21 0.00 -1.26 -4.91 107.32 98.92 4kbp s GLY 410 Ca 0.68 -0.36 0.40 0.00 0.00 0.00 0.00 44.72 45.43 4kbp s GLY 410 CO 0.52 -0.06 1.70 -2.08 0.00 0.00 0.00 173.10 173.18 4kbp h VAL 411 N -0.37 0.24 -0.41 1.40 2.07 -1.94 -0.29 116.25 116.95 4kbp h VAL 411 Ca -0.45 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.06 4kbp h VAL 411 Cb 1.23 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 4kbp h VAL 411 CO 0.62 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.22 4kbp n ALA 412 N -2.78 2.39 -2.69 1.67 0.00 -1.26 -4.65 120.51 113.20 4kbp n ALA 412 Ca 0.34 -1.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 4kbp n ALA 412 Cb 1.51 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 4kbp n ALA 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4kbp s VAL 413 N -1.34 4.74 -0.76 0.00 1.01 -0.12 -5.00 120.40 118.92 4kbp s VAL 413 Ca 0.37 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 4kbp s VAL 413 Cb 0.21 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.28 4kbp s VAL 413 CO 0.29 -0.85 1.32 -1.61 0.00 0.00 0.00 175.10 174.26 4kbp s GLU 414 N 3.01 3.20 0.00 2.72 2.02 -1.26 -4.15 118.70 124.24 4kbp s GLU 414 Ca 0.21 -0.28 0.11 0.00 0.02 0.00 0.00 54.97 55.02 4kbp s GLU 414 Cb -0.16 -4.30 0.55 0.00 0.10 0.00 0.00 34.13 30.32 4kbp s GLU 414 CO 0.15 -2.19 1.26 0.00 0.02 0.00 0.00 175.26 174.50 4kbp n ALA 415 N 9.50 1.66 -3.56 5.21 0.00 -0.17 -4.62 120.51 128.53 4kbp n ALA 415 Ca 0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 4kbp n ALA 415 Cb 0.49 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 4kbp n ALA 415 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 4kbp s ASP 416 N -2.61 -0.69 -0.15 0.00 -1.08 -1.17 -4.97 116.67 105.99 4kbp s ASP 416 Ca 0.10 1.09 -0.21 0.00 -0.52 0.00 0.00 52.55 53.00 4kbp s ASP 416 Cb 0.07 1.03 0.05 0.00 -1.46 0.00 0.00 42.92 42.61 4kbp s ASP 416 CO 0.17 -0.40 0.56 -0.55 0.52 0.00 0.00 175.17 175.46 4kbp s SER 417 N -0.33 -0.55 -0.13 -0.34 0.15 -1.26 -1.46 113.70 109.78 4kbp s SER 417 Ca -0.05 0.91 -0.21 0.00 0.70 0.00 0.00 55.95 57.31 4kbp s SER 417 Cb -0.03 0.92 0.05 0.00 -1.71 0.00 0.00 66.02 65.25 4kbp s SER 417 CO 0.05 -0.31 0.52 -0.69 1.20 0.00 0.00 173.24 174.01 4kbp s VAL 418 N -0.22 0.01 -0.12 4.45 1.01 -0.58 -5.01 120.40 119.94 4kbp s VAL 418 Ca -0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 4kbp s VAL 418 Cb -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 4kbp s VAL 418 CO 0.03 -0.05 0.17 0.26 0.00 0.00 0.00 175.10 175.51 4kbp s TRP 419 N -0.39 3.58 -0.15 5.22 0.52 -1.26 -0.95 118.94 125.50 4kbp s TRP 419 Ca -0.05 0.55 -0.06 0.00 0.02 0.00 0.00 56.10 56.56 4kbp s TRP 419 Cb -0.03 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 4kbp s TRP 419 CO 0.04 0.64 0.06 -0.06 0.02 0.00 0.00 176.95 177.64 4kbp s PHE 420 N -0.75 3.29 -0.22 -1.98 0.40 0.19 -4.89 117.98 114.01 4kbp s PHE 420 Ca 0.15 0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.58 4kbp s PHE 420 Cb -0.12 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 4kbp s PHE 420 CO 0.04 0.33 0.06 -0.06 0.70 0.00 0.00 175.22 176.28 4kbp s PHE 421 N -0.18 3.11 -0.16 0.36 0.08 -1.26 -2.74 117.98 117.18 4kbp s PHE 421 Ca 0.07 -0.31 -0.34 0.00 0.12 0.00 0.00 56.93 56.47 4kbp s PHE 421 Cb -0.12 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.04 4kbp s PHE 421 CO 0.01 -0.22 1.95 -1.71 -0.10 0.00 0.00 175.22 175.15 4kbp n ASN 422 N 4.48 3.15 0.11 1.36 2.85 -0.70 -4.71 115.26 121.80 4kbp n ASN 422 Ca -0.16 0.84 0.05 0.00 -0.11 0.00 0.00 54.58 55.20 4kbp n ASN 422 Cb 0.52 -1.35 0.29 0.00 1.24 0.00 0.00 39.78 40.47 4kbp n ASN 422 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 4kbp n ARG 423 N 6.96 0.07 -0.06 1.20 5.12 -1.26 0.28 116.66 128.96 4kbp n ARG 423 Ca 0.26 0.51 -0.11 0.00 -1.93 0.00 0.00 57.85 56.58 4kbp n ARG 423 Cb 0.28 -1.94 -0.04 0.00 -1.16 0.00 0.00 32.46 29.61 4kbp n ARG 423 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 4kbp n HIS 424 N -1.87 0.00 1.48 -1.55 -0.00 -1.26 -4.49 115.22 107.53 4kbp n HIS 424 Ca -0.01 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.30 4kbp n HIS 424 Cb 0.22 -0.47 0.52 0.00 -0.12 0.00 0.00 29.99 30.15 4kbp n HIS 424 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 4kbp n TRP 425 N -4.09 0.06 -2.68 1.57 7.02 -1.14 -4.58 117.44 113.60 4kbp n TRP 425 Ca -0.19 -0.03 -0.05 0.00 -1.02 0.00 0.00 57.50 56.21 4kbp n TRP 425 Cb 0.50 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.46 4kbp n TRP 425 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 4kbp n TYR 426 N 0.08 -1.40 -0.51 -5.99 9.36 0.14 -4.92 117.16 113.93 4kbp n TYR 426 Ca 0.18 -1.30 -0.23 0.00 3.32 0.00 0.00 57.90 59.87 4kbp n TYR 426 Cb 0.32 1.38 -0.04 0.00 -0.63 0.00 0.00 39.34 40.36 4kbp n TYR 426 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 4kbp n PRO 427 N -0.09 0.82 -3.99 2.98 -0.04 -1.02 -4.02 135.00 129.64 4kbp n PRO 427 Ca -0.09 -1.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.93 4kbp n PRO 427 Cb 0.73 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 4kbp n PRO 427 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 4kbp s VAL 428 N 5.00 5.14 -0.32 0.52 1.01 -1.26 -5.01 120.40 125.48 4kbp s VAL 428 Ca 0.35 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 4kbp s VAL 428 Cb 0.08 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 4kbp s VAL 428 CO 0.09 0.36 2.26 -0.67 0.00 0.00 0.00 175.10 177.13 4kbp n ASP 429 N 1.12 2.67 -0.01 3.32 -0.08 -1.26 -4.69 116.55 117.62 4kbp n ASP 429 Ca -0.12 0.16 0.09 0.00 -1.51 0.00 0.00 54.79 53.41 4kbp n ASP 429 Cb 0.53 -1.45 -0.15 0.00 2.34 0.00 0.00 41.12 42.39 4kbp n ASP 429 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 4kbp n ASP 430 N 11.69 0.11 -4.54 1.67 5.68 -1.26 -4.84 116.55 125.06 4kbp n ASP 430 Ca 0.36 0.04 -0.13 0.00 -0.50 0.00 0.00 54.79 54.56 4kbp n ASP 430 Cb 0.38 1.68 -0.10 0.00 -1.14 0.00 0.00 41.12 41.94 4kbp n ASP 430 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 4kbp n SER 431 N -2.37 1.20 -0.37 -1.12 7.64 -1.26 -4.94 113.62 112.39 4kbp n SER 431 Ca -0.07 -2.15 0.05 0.00 1.01 0.00 0.00 58.87 57.70 4kbp n SER 431 Cb 0.64 -1.64 0.04 0.00 -1.01 0.00 0.00 64.21 62.24 4kbp n SER 431 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38