#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbp s ASP 10 N 0.00 7.15 0.14 0.55 1.01 -1.26 -3.04 116.67 121.21 3kbp s ASP 10 Ca 0.00 2.20 -0.35 0.00 0.71 0.00 0.00 52.55 55.12 3kbp s ASP 10 Cb 0.00 -2.61 -0.16 0.00 1.01 0.00 0.00 42.92 41.17 3kbp s ASP 10 CO 0.00 -0.31 1.33 0.23 0.21 0.00 0.00 175.17 176.62 3kbp n MET 11 N 2.33 1.38 -0.96 8.23 2.81 -0.34 -4.88 117.12 125.69 3kbp n MET 11 Ca 0.03 0.50 -0.29 0.00 -1.81 0.00 0.00 57.70 56.13 3kbp n MET 11 Cb 0.45 -2.12 0.18 0.00 -0.71 0.00 0.00 33.22 31.02 3kbp n MET 11 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3kbp s PRO 12 N 0.21 0.54 0.42 0.03 0.04 -1.26 -4.94 135.00 130.04 3kbp s PRO 12 Ca 0.79 0.88 0.10 0.00 0.04 0.00 0.00 61.00 62.81 3kbp s PRO 12 Cb -0.85 -1.72 0.94 0.00 0.04 0.00 0.00 34.50 32.91 3kbp s PRO 12 CO 0.47 -2.75 2.03 -0.07 0.04 0.00 0.00 177.00 176.73 3kbp h LEU 13 N -1.92 0.41 -1.16 -3.56 3.38 -2.01 -2.41 115.31 108.04 3kbp h LEU 13 Ca -0.52 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 3kbp h LEU 13 Cb 1.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3kbp h LEU 13 CO 0.52 0.28 -0.27 -2.24 0.09 0.00 0.00 178.44 176.82 3kbp h ASP 14 N 0.48 0.00 -0.56 -0.43 2.03 -1.96 -3.44 116.42 112.53 3kbp h ASP 14 Ca 0.20 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 56.04 3kbp h ASP 14 Cb 0.18 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.71 3kbp h ASP 14 CO -0.05 0.27 0.12 -1.20 -1.03 0.00 0.00 179.24 177.35 3kbp n SER 15 N -3.50 0.16 -0.06 4.15 7.64 -0.91 -4.70 113.62 116.41 3kbp n SER 15 Ca -0.00 0.65 0.25 0.00 1.01 0.00 0.00 58.87 60.78 3kbp n SER 15 Cb 0.43 -0.51 0.69 0.00 -1.01 0.00 0.00 64.21 63.82 3kbp n SER 15 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3kbp h ASP 16 N 1.95 0.00 -0.07 6.43 2.03 -1.90 0.14 116.42 125.01 3kbp h ASP 16 Ca -0.28 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.91 3kbp h ASP 16 Cb 0.79 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 3kbp h ASP 16 CO 0.41 0.00 -0.31 1.62 -1.03 0.00 0.00 179.24 179.93 3kbp h VAL 17 N 0.00 1.28 -0.22 4.15 3.04 -1.96 -3.04 116.25 119.50 3kbp h VAL 17 Ca 0.33 -1.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 3kbp h VAL 17 Cb 1.65 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 3kbp h VAL 17 CO -0.00 0.44 0.00 0.49 -1.01 0.00 0.00 177.57 177.49 3kbp n PHE 18 N -4.08 0.30 -1.98 3.17 3.72 0.50 -4.10 117.46 114.98 3kbp n PHE 18 Ca -0.01 -0.15 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 3kbp n PHE 18 Cb 0.45 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3kbp n PHE 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kbp s ARG 19 N -1.70 4.05 -0.21 -1.08 0.52 -1.15 -4.95 118.95 114.43 3kbp s ARG 19 Ca 0.17 2.29 -0.19 0.00 -0.52 0.00 0.00 55.73 57.48 3kbp s ARG 19 Cb 0.09 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3kbp s ARG 19 CO 0.12 -0.47 0.56 0.54 0.02 0.00 0.00 175.30 176.06 3kbp s VAL 20 N -1.19 5.07 0.14 3.52 0.11 -1.26 -5.01 120.40 121.78 3kbp s VAL 20 Ca 0.55 1.02 -0.35 0.00 -2.93 0.00 0.00 61.98 60.27 3kbp s VAL 20 Cb -0.41 -3.87 -0.15 0.00 -1.53 0.00 0.00 36.38 30.41 3kbp s VAL 20 CO 0.54 0.14 1.38 -0.81 -3.33 0.00 0.00 175.10 173.02 3kbp n PRO 21 N 5.01 1.53 -2.23 1.54 -0.04 -1.26 -4.89 135.00 134.66 3kbp n PRO 21 Ca -0.03 0.55 -0.37 0.00 -0.04 0.00 0.00 63.50 63.61 3kbp n PRO 21 Cb 0.50 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.75 3kbp n PRO 21 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kbp s PRO 22 N 0.34 3.70 0.00 0.54 0.04 -1.26 -4.74 135.00 133.63 3kbp s PRO 22 Ca 0.79 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3kbp s PRO 22 Cb -0.82 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3kbp s PRO 22 CO 0.46 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3kbp n GLY 23 N 0.45 4.02 3.67 0.56 0.00 -1.26 -4.86 105.19 107.78 3kbp n GLY 23 Ca 0.08 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3kbp n GLY 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kbp s TYR 24 N -1.62 3.03 -1.08 1.61 5.04 -1.26 -3.11 117.35 119.97 3kbp s TYR 24 Ca 0.00 1.14 -0.06 0.00 -2.44 0.00 0.00 57.07 55.72 3kbp s TYR 24 Cb 0.00 -3.44 -0.06 0.00 0.35 0.00 0.00 41.96 38.81 3kbp s TYR 24 CO 0.00 -1.40 0.92 -1.71 -1.34 0.00 0.00 175.55 172.02 3kbp n ASN 25 N 6.04 -5.89 -4.64 4.32 4.05 -1.26 -3.59 115.26 114.29 3kbp n ASN 25 Ca 0.12 -0.71 -0.41 0.00 0.45 0.00 0.00 54.58 54.04 3kbp n ASN 25 Cb 0.46 -5.13 -0.06 0.00 1.23 0.00 0.00 39.78 36.28 3kbp n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kbp s ALA 26 N -3.39 3.59 -0.16 5.20 0.00 -1.18 -4.03 121.76 121.79 3kbp s ALA 26 Ca 0.39 -0.31 -0.34 0.00 0.00 0.00 0.00 51.96 51.70 3kbp s ALA 26 Cb -0.05 -3.07 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 3kbp s ALA 26 CO 0.74 -0.74 1.97 -0.35 0.00 0.00 0.00 175.76 177.39 3kbp n PRO 27 N 5.53 1.91 -4.47 0.00 -0.04 -1.26 -4.67 135.00 131.99 3kbp n PRO 27 Ca 0.00 0.66 -0.30 0.00 -0.04 0.00 0.00 63.50 63.83 3kbp n PRO 27 Cb 0.49 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.22 3kbp n PRO 27 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3kbp s GLN 28 N 4.73 2.18 -1.20 0.54 -2.07 0.84 -4.75 119.66 119.93 3kbp s GLN 28 Ca 0.97 -2.21 -0.03 0.00 -1.82 0.00 0.00 55.36 52.27 3kbp s GLN 28 Cb -0.70 -1.73 0.02 0.00 -1.09 0.00 0.00 33.01 29.51 3kbp s GLN 28 CO 0.50 -0.34 0.17 1.04 -1.32 0.00 0.00 175.29 175.33 3kbp n GLN 29 N -1.33 -2.71 -1.72 9.60 6.02 -1.26 -0.33 117.38 125.65 3kbp n GLN 29 Ca -0.11 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.08 3kbp n GLN 29 Cb 0.66 -5.28 -0.01 0.00 1.02 0.00 0.00 30.24 26.64 3kbp n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3kbp n VAL 30 N -3.65 1.81 -3.64 5.09 0.31 -1.26 -4.51 118.33 112.47 3kbp n VAL 30 Ca -0.12 -0.45 -0.07 0.00 -0.01 0.00 0.00 64.34 63.68 3kbp n VAL 30 Cb 0.60 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 3kbp n VAL 30 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3kbp s HIS 31 N -0.90 -0.78 0.41 3.52 -3.43 -0.02 -4.08 115.29 110.01 3kbp s HIS 31 Ca 0.57 1.66 0.07 0.00 -0.80 0.00 0.00 55.06 56.56 3kbp s HIS 31 Cb -0.55 0.44 -0.07 0.00 -1.43 0.00 0.00 32.58 30.98 3kbp s HIS 31 CO 0.60 -0.38 0.09 0.96 -2.00 0.00 0.00 174.74 174.01 3kbp s ILE 32 N 1.07 2.18 0.24 -5.38 -4.36 -0.64 -1.34 121.20 112.97 3kbp s ILE 32 Ca -0.05 -1.86 -0.22 0.00 -0.26 0.00 0.00 60.65 58.26 3kbp s ILE 32 Cb -0.05 -2.98 0.03 0.00 1.25 0.00 0.00 42.46 40.71 3kbp s ILE 32 CO -0.12 -0.01 0.78 -0.89 0.24 0.00 0.00 174.94 174.94 3kbp s THR 33 N -2.65 0.00 0.16 8.37 2.01 -1.07 -3.62 115.64 118.85 3kbp s THR 33 Ca 0.38 -0.87 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 3kbp s THR 33 Cb 0.06 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.53 3kbp s THR 33 CO 0.20 0.00 1.39 -1.58 -0.69 0.00 0.00 174.62 173.94 3kbp s GLN 34 N -3.73 4.32 0.05 4.92 0.74 -1.26 -0.79 119.66 123.90 3kbp s GLN 34 Ca 0.11 2.12 0.23 0.00 0.05 0.00 0.00 55.36 57.87 3kbp s GLN 34 Cb -0.05 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 3kbp s GLN 34 CO 0.05 -0.40 0.94 0.41 -0.55 0.00 0.00 175.29 175.74 3kbp n GLY 35 N 3.06 -1.19 0.00 2.59 0.00 0.21 -4.17 105.19 105.69 3kbp n GLY 35 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kbp n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 36 N -2.04 1.07 0.06 1.61 5.68 -1.25 -4.66 116.55 117.02 3kbp n ASP 36 Ca 0.01 -0.29 -0.14 0.00 -0.50 0.00 0.00 54.79 53.87 3kbp n ASP 36 Cb 0.46 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.30 3kbp n ASP 36 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3kbp h LEU 37 N 0.00 0.28 -2.24 -2.12 5.85 -1.90 -3.40 115.31 111.78 3kbp h LEU 37 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3kbp h LEU 37 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kbp h LEU 37 CO 0.00 1.30 0.00 1.33 -0.34 0.00 0.00 178.44 180.73 3kbp n VAL 38 N -3.40 0.59 0.00 1.05 0.24 -1.26 -0.42 118.33 115.12 3kbp n VAL 38 Ca -0.12 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 3kbp n VAL 38 Cb 1.02 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 3kbp n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbp n GLY 39 N 0.14 1.21 2.71 7.63 0.00 -1.26 -4.63 105.19 111.00 3kbp n GLY 39 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3kbp n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kbp n ARG 40 N -0.50 2.83 -3.60 1.61 1.85 -1.26 -4.46 116.66 113.14 3kbp n ARG 40 Ca 0.00 -3.59 -0.13 0.00 -1.00 0.00 0.00 57.85 53.13 3kbp n ARG 40 Cb 0.00 -2.27 -0.06 0.00 -1.05 0.00 0.00 32.46 29.07 3kbp n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kbp s ALA 41 N -3.95 -1.85 0.06 2.89 0.00 -1.26 -1.36 121.76 116.28 3kbp s ALA 41 Ca 0.55 1.74 0.04 0.00 0.00 0.00 0.00 51.96 54.29 3kbp s ALA 41 Cb 0.45 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3kbp s ALA 41 CO -0.29 -0.31 -0.12 -1.64 0.00 0.00 0.00 175.76 173.40 3kbp s MET 42 N -0.30 0.74 -0.27 0.00 -1.94 -0.11 0.66 119.30 118.08 3kbp s MET 42 Ca -0.02 -0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 53.02 3kbp s MET 42 Cb -0.03 -0.66 0.03 0.00 2.01 0.00 0.00 34.83 36.18 3kbp s MET 42 CO 0.01 0.14 -0.02 0.42 -0.01 0.00 0.00 175.02 175.56 3kbp s ILE 43 N -1.37 3.11 -0.16 2.53 1.01 0.03 -0.83 121.20 125.52 3kbp s ILE 43 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.41 3kbp s ILE 43 Cb -0.10 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3kbp s ILE 43 CO 0.02 0.11 0.38 -0.63 0.00 0.00 0.00 174.94 174.81 3kbp s ILE 44 N 1.34 5.24 -0.02 2.92 -1.09 0.89 -2.58 121.20 127.90 3kbp s ILE 44 Ca -0.01 0.72 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 3kbp s ILE 44 Cb -0.17 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3kbp s ILE 44 CO -0.02 0.33 -0.10 -0.44 -1.23 0.00 0.00 174.94 173.48 3kbp s SER 45 N 0.67 1.29 0.36 3.58 0.01 -0.45 -1.01 113.70 118.15 3kbp s SER 45 Ca 0.20 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 3kbp s SER 45 Cb -0.14 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.86 3kbp s SER 45 CO 0.07 0.10 0.58 -1.66 0.41 0.00 0.00 173.24 172.75 3kbp s TRP 46 N -0.03 0.76 -0.01 2.43 -2.14 -0.53 -0.84 118.94 118.57 3kbp s TRP 46 Ca 0.00 -1.14 0.03 0.00 2.66 0.00 0.00 56.10 57.65 3kbp s TRP 46 Cb -0.07 0.23 -0.00 0.00 -3.10 0.00 0.00 33.47 30.53 3kbp s TRP 46 CO 0.00 -1.29 -0.09 0.08 -2.66 0.00 0.00 176.95 173.00 3kbp s VAL 47 N -2.78 0.69 -0.04 -0.66 1.01 0.55 -0.77 120.40 118.40 3kbp s VAL 47 Ca 0.25 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3kbp s VAL 47 Cb -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3kbp s VAL 47 CO 0.18 0.20 -0.19 0.42 0.00 0.00 0.00 175.10 175.71 3kbp s THR 48 N -0.10 2.67 -0.03 3.92 -4.23 -0.44 -0.11 115.64 117.32 3kbp s THR 48 Ca 0.02 -0.87 0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3kbp s THR 48 Cb -0.05 -2.01 -0.19 0.00 1.34 0.00 0.00 72.50 71.59 3kbp s THR 48 CO -0.00 0.59 0.25 0.23 -0.54 0.00 0.00 174.62 175.14 3kbp n MET 49 N 2.38 0.64 -0.06 3.99 2.81 -1.26 -0.11 117.12 125.52 3kbp n MET 49 Ca -0.17 -0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 55.52 3kbp n MET 49 Cb 0.52 -1.31 -0.09 0.00 -0.71 0.00 0.00 33.22 31.63 3kbp n MET 49 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kbp h ASP 50 N 0.00 -0.01 -5.06 7.83 3.32 -1.94 -3.46 116.42 117.10 3kbp h ASP 50 Ca -0.05 -0.67 -0.06 0.00 0.02 0.00 0.00 57.03 56.26 3kbp h ASP 50 Cb 0.77 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.18 3kbp h ASP 50 CO 0.00 0.82 -0.08 -1.83 -1.72 0.00 0.00 179.24 176.43 3kbp s GLU 51 N -2.11 1.01 0.06 3.56 -1.05 -1.26 -5.06 118.70 113.86 3kbp s GLU 51 Ca -0.13 -0.56 -0.12 0.00 -0.15 0.00 0.00 54.97 54.01 3kbp s GLU 51 Cb -0.02 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 3kbp s GLU 51 CO 0.48 -0.38 0.70 -2.30 0.95 0.00 0.00 175.26 174.72 3kbp n PRO 52 N 0.07 -0.17 -0.07 -4.83 -0.02 -1.26 -4.83 135.00 123.89 3kbp n PRO 52 Ca -0.17 0.69 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3kbp n PRO 52 Cb 0.62 -1.02 -0.00 0.00 -0.02 0.00 0.00 33.50 33.08 3kbp n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbp n GLY 53 N -1.10 -2.22 3.79 -1.23 0.00 -1.26 -4.79 105.19 98.38 3kbp n GLY 53 Ca 0.01 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 3kbp n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbp s SER 54 N -2.52 6.52 -0.15 1.61 0.15 -1.26 -4.98 113.70 113.06 3kbp s SER 54 Ca 0.00 0.61 0.07 0.00 0.70 0.00 0.00 55.95 57.34 3kbp s SER 54 Cb 0.00 -2.17 0.46 0.00 -1.71 0.00 0.00 66.02 62.60 3kbp s SER 54 CO 0.00 0.24 1.26 -1.20 1.20 0.00 0.00 173.24 174.74 3kbp n SER 55 N 2.73 3.71 -4.87 5.45 7.64 -1.26 -4.64 113.62 122.37 3kbp n SER 55 Ca -0.14 -2.59 -0.31 0.00 1.01 0.00 0.00 58.87 56.84 3kbp n SER 55 Cb 0.53 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3kbp n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 56 N -2.00 3.28 -0.05 -0.43 0.00 -1.26 -0.50 121.76 120.81 3kbp s ALA 56 Ca 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3kbp s ALA 56 Cb 0.25 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3kbp s ALA 56 CO 0.09 -0.03 -0.08 0.08 0.00 0.00 0.00 175.76 175.82 3kbp s VAL 57 N -2.40 0.77 -0.19 0.00 1.01 0.18 -4.47 120.40 115.31 3kbp s VAL 57 Ca 0.53 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3kbp s VAL 57 Cb -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3kbp s VAL 57 CO 0.30 0.27 0.11 -0.60 0.00 0.00 0.00 175.10 175.18 3kbp s ARG 58 N 0.68 4.08 0.06 2.72 3.52 -0.48 -0.82 118.95 128.72 3kbp s ARG 58 Ca -0.11 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.14 3kbp s ARG 58 Cb -0.14 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3kbp s ARG 58 CO 0.01 0.32 0.22 1.52 -0.81 0.00 0.00 175.30 176.57 3kbp s TYR 59 N 0.27 0.05 0.13 5.12 1.13 -0.00 0.40 117.35 124.45 3kbp s TYR 59 Ca 0.07 -0.34 -0.25 0.00 -1.41 0.00 0.00 57.07 55.14 3kbp s TYR 59 Cb -0.11 -0.00 0.07 0.00 -1.10 0.00 0.00 41.96 40.82 3kbp s TYR 59 CO -0.01 -0.50 0.72 1.67 -2.51 0.00 0.00 175.55 174.92 3kbp s TRP 60 N -3.14 -0.42 0.32 -3.49 -2.14 0.13 -0.60 118.94 109.60 3kbp s TRP 60 Ca -0.01 0.19 -0.06 0.00 2.66 0.00 0.00 56.10 58.89 3kbp s TRP 60 Cb 0.01 0.58 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 3kbp s TRP 60 CO -0.07 -0.81 0.60 -1.54 -2.66 0.00 0.00 176.95 172.48 3kbp s SER 61 N -2.71 6.45 0.13 -2.66 1.04 -1.19 -0.14 113.70 114.64 3kbp s SER 61 Ca 0.04 0.80 -0.20 0.00 0.48 0.00 0.00 55.95 57.07 3kbp s SER 61 Cb -0.02 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 3kbp s SER 61 CO -0.09 -0.25 1.69 -0.08 0.98 0.00 0.00 173.24 175.50 3kbp h GLU 62 N 1.53 -0.03 0.00 4.02 4.81 -1.85 -3.19 114.58 119.88 3kbp h GLU 62 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kbp h GLU 62 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3kbp h GLU 62 CO 0.65 -0.02 0.00 0.36 -0.73 0.00 0.00 179.01 179.27 3kbp n LYS 63 N -5.23 0.00 -2.89 1.92 2.85 -1.26 -4.22 118.16 109.33 3kbp n LYS 63 Ca -0.02 0.36 -0.44 0.00 -1.05 0.00 0.00 58.31 57.16 3kbp n LYS 63 Cb 0.15 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.20 3kbp n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3kbp s ASN 64 N -2.04 6.53 0.00 -5.58 3.84 -1.24 -4.90 114.94 111.55 3kbp s ASN 64 Ca 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 52.86 51.26 3kbp s ASN 64 Cb 0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 3kbp s ASN 64 CO 0.00 -1.16 0.45 0.61 -2.79 0.00 0.00 177.10 174.21 3kbp n GLY 65 N 5.57 0.91 3.61 1.21 0.00 -1.20 -3.14 105.19 112.14 3kbp n GLY 65 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3kbp n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 66 N 0.54 3.61 0.01 1.61 3.52 -1.26 -4.91 118.95 122.08 3kbp s ARG 66 Ca 0.00 1.08 -0.30 0.00 -0.13 0.00 0.00 55.73 56.38 3kbp s ARG 66 Cb 0.00 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 3kbp s ARG 66 CO 0.00 -1.51 1.02 0.15 -0.81 0.00 0.00 175.30 174.15 3kbp s LYS 67 N 4.88 4.53 0.28 5.12 1.02 -1.26 -4.52 119.74 129.79 3kbp s LYS 67 Ca 0.63 1.49 0.09 0.00 0.02 0.00 0.00 55.97 58.20 3kbp s LYS 67 Cb -0.16 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.65 3kbp s LYS 67 CO 0.31 -0.11 -0.12 1.03 -0.92 0.00 0.00 175.35 175.55 3kbp s ARG 68 N 1.08 1.61 -0.03 1.68 0.52 0.23 -4.96 118.95 119.08 3kbp s ARG 68 Ca 0.53 -1.79 0.05 0.00 -0.52 0.00 0.00 55.73 54.00 3kbp s ARG 68 Cb -0.22 -1.44 -0.01 0.00 0.52 0.00 0.00 34.95 33.79 3kbp s ARG 68 CO 0.28 0.16 -0.18 0.42 0.02 0.00 0.00 175.30 175.99 3kbp s ILE 69 N -2.78 1.50 -0.05 1.52 1.01 -1.26 -0.82 121.20 120.32 3kbp s ILE 69 Ca 0.29 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.23 3kbp s ILE 69 Cb 0.01 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3kbp s ILE 69 CO 0.13 0.43 -0.25 0.00 0.00 0.00 0.00 174.94 175.25 3kbp s ALA 70 N -0.18 2.11 -0.15 9.38 0.00 0.00 -4.93 121.76 128.00 3kbp s ALA 70 Ca 0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 3kbp s ALA 70 Cb -0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3kbp s ALA 70 CO 0.01 0.43 -0.01 0.21 0.00 0.00 0.00 175.76 176.41 3kbp s LYS 71 N -0.26 3.59 0.00 0.00 2.36 -1.26 0.51 119.74 124.67 3kbp s LYS 71 Ca -0.00 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 52.96 3kbp s LYS 71 Cb -0.13 -2.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 3kbp s LYS 71 CO 0.02 0.35 0.00 0.41 1.55 0.00 0.00 175.35 177.68 3kbp n GLY 72 N 3.23 3.71 3.12 5.54 0.00 0.35 -4.68 105.19 116.46 3kbp n GLY 72 Ca -0.17 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 3kbp n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kbp s LYS 73 N 2.77 0.67 0.00 1.61 2.36 -0.84 -4.85 119.74 121.47 3kbp s LYS 73 Ca 0.00 -0.87 0.07 0.00 -2.55 0.00 0.00 55.97 52.62 3kbp s LYS 73 Cb 0.00 -0.54 -0.03 0.00 -1.05 0.00 0.00 37.83 36.22 3kbp s LYS 73 CO 0.00 0.11 -0.23 1.41 1.55 0.00 0.00 175.35 178.19 3kbp s MET 74 N -1.73 2.09 0.22 4.03 -2.45 -1.26 -1.99 119.30 118.21 3kbp s MET 74 Ca -0.06 -0.95 -0.03 0.00 -1.25 0.00 0.00 55.69 53.41 3kbp s MET 74 Cb -0.09 -2.11 -0.03 0.00 1.25 0.00 0.00 34.83 33.85 3kbp s MET 74 CO 0.01 0.56 0.23 -1.54 1.05 0.00 0.00 175.02 175.33 3kbp s SER 75 N -0.94 0.21 0.10 1.11 1.04 0.56 -4.94 113.70 110.84 3kbp s SER 75 Ca 0.12 -1.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.08 3kbp s SER 75 Cb -0.10 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.50 3kbp s SER 75 CO 0.01 -0.94 0.39 0.42 0.98 0.00 0.00 173.24 174.10 3kbp s THR 76 N -4.05 0.07 0.19 2.02 -4.23 -1.26 -0.54 115.64 107.84 3kbp s THR 76 Ca 0.35 -0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 3kbp s THR 76 Cb 0.05 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 3kbp s THR 76 CO 0.13 -0.33 0.24 -0.72 -0.54 0.00 0.00 174.62 173.40 3kbp s TYR 77 N -3.52 0.74 -0.02 3.99 1.13 -1.26 -5.00 117.35 113.41 3kbp s TYR 77 Ca 0.01 -1.05 0.06 0.00 -1.41 0.00 0.00 57.07 54.68 3kbp s TYR 77 Cb 0.01 -0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 3kbp s TYR 77 CO -0.10 -0.72 -0.19 1.03 -2.51 0.00 0.00 175.55 173.05 3kbp s ARG 78 N -4.06 1.61 0.00 -3.49 0.52 -1.26 -1.03 118.95 111.23 3kbp s ARG 78 Ca 0.27 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3kbp s ARG 78 Cb 0.04 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.97 3kbp s ARG 78 CO 0.07 0.41 0.00 0.34 0.02 0.00 0.00 175.30 176.14 3kbp n PHE 79 N 2.63 0.00 0.00 -0.53 7.35 -0.96 -4.97 117.46 120.98 3kbp n PHE 79 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 3kbp n PHE 79 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 3kbp n PHE 79 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kbp n PHE 80 N -1.59 0.00 -0.97 -5.13 7.35 -1.26 -4.79 117.46 111.06 3kbp n PHE 80 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 3kbp n PHE 80 Cb 0.00 0.00 0.36 0.00 0.35 0.00 0.00 39.48 40.19 3kbp n PHE 80 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3kbp n ASN 81 N -0.01 5.36 -4.94 -2.13 6.94 -1.26 -4.91 115.26 114.30 3kbp n ASN 81 Ca 0.00 -3.07 -0.21 0.00 -0.02 0.00 0.00 54.58 51.28 3kbp n ASN 81 Cb 0.00 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 36.68 3kbp n ASN 81 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3kbp s TYR 82 N -2.88 3.25 -0.24 -2.53 5.04 -1.26 -5.11 117.35 113.61 3kbp s TYR 82 Ca 0.55 -0.12 -0.06 0.00 -2.44 0.00 0.00 57.07 55.00 3kbp s TYR 82 Cb 0.43 -1.69 0.12 0.00 0.35 0.00 0.00 41.96 41.18 3kbp s TYR 82 CO 0.15 0.30 0.49 -1.12 -1.34 0.00 0.00 175.55 174.04 3kbp s SER 83 N -4.02 -0.55 1.12 4.32 0.01 -1.26 -2.27 113.70 111.05 3kbp s SER 83 Ca 0.38 1.00 -0.12 0.00 1.31 0.00 0.00 55.95 58.51 3kbp s SER 83 Cb -0.09 1.66 0.26 0.00 0.21 0.00 0.00 66.02 68.07 3kbp s SER 83 CO 0.29 -0.24 1.05 -0.94 0.41 0.00 0.00 173.24 173.80 3kbp s SER 84 N 2.71 1.36 0.02 2.44 1.04 -0.20 -5.01 113.70 116.06 3kbp s SER 84 Ca 0.02 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.02 3kbp s SER 84 Cb -0.13 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3kbp s SER 84 CO -0.16 -3.97 0.00 0.61 0.98 0.00 0.00 173.24 170.70 3kbp n GLY 85 N 0.52 0.57 3.56 7.32 0.00 -1.26 -4.78 105.19 111.11 3kbp n GLY 85 Ca 0.04 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3kbp n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kbp s PHE 86 N 0.96 3.16 0.10 1.61 0.08 0.85 -4.67 117.98 120.07 3kbp s PHE 86 Ca 0.00 0.22 -0.21 0.00 0.12 0.00 0.00 56.93 57.06 3kbp s PHE 86 Cb 0.00 -3.04 -0.07 0.00 -0.57 0.00 0.00 43.02 39.34 3kbp s PHE 86 CO 0.00 -0.60 0.64 0.42 -0.10 0.00 0.00 175.22 175.57 3kbp s ILE 87 N 2.55 4.62 0.00 0.64 1.01 0.30 -1.33 121.20 128.99 3kbp s ILE 87 Ca 0.21 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.28 3kbp s ILE 87 Cb -0.15 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3kbp s ILE 87 CO 0.14 0.54 -0.13 -1.00 0.00 0.00 0.00 174.94 174.50 3kbp s HIS 88 N -1.11 1.15 -0.15 3.97 3.76 0.05 -0.32 115.29 122.63 3kbp s HIS 88 Ca 0.31 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.93 3kbp s HIS 88 Cb -0.21 -0.72 0.06 0.00 1.11 0.00 0.00 32.58 32.83 3kbp s HIS 88 CO 0.21 -0.00 0.14 -1.01 -0.85 0.00 0.00 174.74 173.23 3kbp s HIS 89 N -0.46 -0.04 0.10 1.40 3.76 -0.84 -1.45 115.29 117.75 3kbp s HIS 89 Ca 0.04 0.10 0.10 0.00 -0.15 0.00 0.00 55.06 55.15 3kbp s HIS 89 Cb -0.06 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 3kbp s HIS 89 CO 0.00 -0.46 -0.26 0.99 -0.85 0.00 0.00 174.74 174.17 3kbp s THR 90 N 2.23 2.12 -0.25 1.30 2.01 -0.18 -1.98 115.64 120.89 3kbp s THR 90 Ca 0.04 -1.58 0.02 0.00 0.31 0.00 0.00 61.69 60.48 3kbp s THR 90 Cb -0.15 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.56 3kbp s THR 90 CO -0.09 0.16 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.01 3kbp s THR 91 N -0.98 2.26 0.07 -0.82 2.01 -1.26 -0.08 115.64 116.85 3kbp s THR 91 Ca 0.12 -1.52 -0.24 0.00 0.31 0.00 0.00 61.69 60.36 3kbp s THR 91 Cb -0.10 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 3kbp s THR 91 CO 0.04 0.03 0.72 -0.63 -0.69 0.00 0.00 174.62 174.10 3kbp s ILE 92 N 1.14 4.66 0.32 1.82 1.01 -0.01 -4.92 121.20 125.22 3kbp s ILE 92 Ca -0.07 1.55 0.04 0.00 0.00 0.00 0.00 60.65 62.17 3kbp s ILE 92 Cb -0.19 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3kbp s ILE 92 CO -0.05 0.44 0.16 0.00 0.00 0.00 0.00 174.94 175.49 3kbp s ARG 93 N -0.49 1.64 -1.42 2.79 1.70 -1.26 -0.94 118.95 120.97 3kbp s ARG 93 Ca 0.36 -1.95 -0.08 0.00 -0.47 0.00 0.00 55.73 53.59 3kbp s ARG 93 Cb -0.21 -0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.05 3kbp s ARG 93 CO 0.23 -0.46 1.03 1.63 -1.08 0.00 0.00 175.30 176.64 3kbp n LYS 94 N -0.62 -7.09 -1.69 3.89 4.76 -0.47 -4.94 118.16 112.00 3kbp n LYS 94 Ca 0.01 0.84 -0.31 0.00 -2.87 0.00 0.00 58.31 55.98 3kbp n LYS 94 Cb 0.65 -5.84 0.05 0.00 -1.84 0.00 0.00 35.03 28.04 3kbp n LYS 94 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kbp s LEU 95 N -7.15 3.02 0.24 -0.35 1.43 -0.86 -5.03 118.68 109.98 3kbp s LEU 95 Ca 0.52 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.92 3kbp s LEU 95 Cb -0.23 -4.29 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 3kbp s LEU 95 CO 0.64 -1.38 0.63 -0.54 0.23 0.00 0.00 176.35 175.93 3kbp s LYS 96 N -5.15 3.95 0.59 1.70 1.02 -1.26 -4.77 119.74 115.82 3kbp s LYS 96 Ca 0.58 0.50 -0.17 0.00 0.02 0.00 0.00 55.97 56.90 3kbp s LYS 96 Cb -0.13 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3kbp s LYS 96 CO 0.54 0.30 1.09 0.71 -0.92 0.00 0.00 175.35 177.07 3kbp s TYR 97 N -1.78 2.79 -0.81 3.18 2.02 -1.26 -4.13 117.35 117.36 3kbp s TYR 97 Ca 0.47 1.54 -0.01 0.00 -0.37 0.00 0.00 57.07 58.70 3kbp s TYR 97 Cb -0.12 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 3kbp s TYR 97 CO 0.20 -1.38 0.64 -1.71 -1.57 0.00 0.00 175.55 171.73 3kbp n ASN 98 N -1.87 -5.84 -3.75 2.29 5.15 0.86 -4.94 115.26 107.17 3kbp n ASN 98 Ca 0.10 -0.67 -0.13 0.00 -0.60 0.00 0.00 54.58 53.28 3kbp n ASN 98 Cb 0.52 -2.93 -0.11 0.00 -0.53 0.00 0.00 39.78 36.73 3kbp n ASN 98 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kbp s THR 99 N -3.01 -0.00 0.15 -0.44 2.01 -1.21 -4.88 115.64 108.25 3kbp s THR 99 Ca 0.02 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 3kbp s THR 99 Cb -0.01 -0.49 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 3kbp s THR 99 CO 0.85 0.00 0.88 -0.75 -0.69 0.00 0.00 174.62 174.91 3kbp s LYS 100 N 0.21 4.68 0.03 4.92 2.20 -1.26 -0.45 119.74 130.07 3kbp s LYS 100 Ca -0.00 1.33 0.06 0.00 -0.36 0.00 0.00 55.97 57.00 3kbp s LYS 100 Cb -0.03 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3kbp s LYS 100 CO 0.00 0.39 -0.19 0.71 -0.36 0.00 0.00 175.35 175.90 3kbp s TYR 101 N -0.58 1.65 -0.13 4.03 2.02 0.25 -2.36 117.35 122.23 3kbp s TYR 101 Ca 0.41 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3kbp s TYR 101 Cb -0.23 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3kbp s TYR 101 CO 0.28 0.06 -0.11 0.71 -1.57 0.00 0.00 175.55 174.92 3kbp s TYR 102 N -0.74 2.86 -0.01 2.71 2.02 0.81 -1.25 117.35 123.75 3kbp s TYR 102 Ca 0.06 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 3kbp s TYR 102 Cb -0.08 -1.87 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3kbp s TYR 102 CO 0.01 -0.17 -0.08 1.52 -1.57 0.00 0.00 175.55 175.27 3kbp s TYR 103 N 0.34 0.75 0.04 2.71 -0.85 0.20 -0.69 117.35 119.85 3kbp s TYR 103 Ca -0.09 -0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.38 3kbp s TYR 103 Cb -0.16 -0.51 -0.03 0.00 0.38 0.00 0.00 41.96 41.64 3kbp s TYR 103 CO 0.05 -0.04 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.63 3kbp s GLU 104 N -0.01 2.01 -0.01 -3.49 2.02 0.16 0.60 118.70 119.98 3kbp s GLU 104 Ca 0.01 -1.01 -0.00 0.00 0.02 0.00 0.00 54.97 53.98 3kbp s GLU 104 Cb -0.05 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.05 3kbp s GLU 104 CO -0.00 0.53 0.02 0.54 0.02 0.00 0.00 175.26 176.37 3kbp s VAL 105 N -0.90 -0.03 0.00 2.63 0.11 0.02 -1.38 120.40 120.85 3kbp s VAL 105 Ca 0.14 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 3kbp s VAL 105 Cb -0.10 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 3kbp s VAL 105 CO 0.05 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 3kbp n GLY 106 N 3.65 0.78 0.31 6.54 0.00 -1.26 -1.28 105.19 113.93 3kbp n GLY 106 Ca -0.20 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3kbp n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kbp h LEU 107 N 0.00 0.44 -0.09 0.99 3.38 -1.84 -2.55 115.31 115.64 3kbp h LEU 107 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kbp h LEU 107 Cb 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3kbp h LEU 107 CO 0.00 0.31 -0.06 0.03 0.09 0.00 0.00 178.44 178.81 3kbp h ARG 108 N 0.51 0.20 0.00 1.13 3.08 -1.95 -3.46 114.38 113.89 3kbp h ARG 108 Ca 0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kbp h ARG 108 Cb -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3kbp h ARG 108 CO -0.03 0.59 0.00 0.09 -1.07 0.00 0.00 179.97 179.55 3kbp n ASN 109 N -4.71 0.00 -4.25 7.04 4.13 -1.21 -5.00 115.26 111.26 3kbp n ASN 109 Ca -0.07 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.81 3kbp n ASN 109 Cb 0.29 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.42 3kbp n ASN 109 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3kbp s THR 110 N 0.00 3.85 0.19 3.41 -4.23 -1.22 -5.01 115.64 112.63 3kbp s THR 110 Ca 0.00 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 3kbp s THR 110 Cb 0.00 -3.30 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 3kbp s THR 110 CO 0.00 -0.36 1.02 -0.89 -0.54 0.00 0.00 174.62 173.86 3kbp s THR 111 N 1.37 4.03 -0.04 3.99 2.01 -0.96 -4.25 115.64 121.79 3kbp s THR 111 Ca 0.01 1.84 0.05 0.00 0.31 0.00 0.00 61.69 63.90 3kbp s THR 111 Cb -0.21 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3kbp s THR 111 CO 0.02 0.36 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.98 3kbp s ARG 112 N -0.62 1.92 -0.03 4.92 0.52 -0.40 -4.92 118.95 120.33 3kbp s ARG 112 Ca 0.46 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 3kbp s ARG 112 Cb -0.27 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 3kbp s ARG 112 CO 0.34 0.28 0.09 0.50 0.02 0.00 0.00 175.30 176.53 3kbp s ARG 113 N -0.03 3.15 0.33 3.54 3.52 -1.26 -0.80 118.95 127.39 3kbp s ARG 113 Ca -0.03 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 3kbp s ARG 113 Cb -0.12 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 3kbp s ARG 113 CO 0.02 0.68 0.39 -0.06 -0.81 0.00 0.00 175.30 175.52 3kbp s PHE 114 N -1.14 1.27 -0.03 5.12 0.40 0.20 -4.98 117.98 118.82 3kbp s PHE 114 Ca 0.21 -1.40 -0.15 0.00 -0.60 0.00 0.00 56.93 54.99 3kbp s PHE 114 Cb -0.12 -0.31 0.03 0.00 0.51 0.00 0.00 43.02 43.13 3kbp s PHE 114 CO 0.11 -1.01 0.32 -1.54 0.70 0.00 0.00 175.22 173.80 3kbp s SER 115 N -3.27 -0.22 0.07 1.36 1.04 -1.26 -0.62 113.70 110.80 3kbp s SER 115 Ca 0.34 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.89 3kbp s SER 115 Cb 0.01 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3kbp s SER 115 CO 0.22 -0.40 0.11 0.72 0.98 0.00 0.00 173.24 174.87 3kbp s PHE 116 N -1.12 0.28 -0.14 5.02 -0.12 -0.38 -4.45 117.98 117.08 3kbp s PHE 116 Ca -0.12 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 56.04 3kbp s PHE 116 Cb -0.05 -0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.18 3kbp s PHE 116 CO 0.04 -0.49 -0.19 0.42 -0.05 0.00 0.00 175.22 174.96 3kbp s ILE 117 N -3.86 1.82 0.57 -4.49 1.01 -1.26 0.84 121.20 115.84 3kbp s ILE 117 Ca 0.05 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 3kbp s ILE 117 Cb 0.06 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3kbp s ILE 117 CO -0.11 0.50 1.35 0.42 0.00 0.00 0.00 174.94 177.11 3kbp s THR 118 N 1.01 2.04 0.89 2.92 -4.23 0.40 -4.79 115.64 113.89 3kbp s THR 118 Ca -0.04 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 3kbp s THR 118 Cb -0.15 -3.01 0.17 0.00 1.34 0.00 0.00 72.50 70.85 3kbp s THR 118 CO -0.04 -0.00 1.23 -2.16 -0.54 0.00 0.00 174.62 173.11 3kbp s PRO 119 N -3.01 1.01 0.79 3.99 0.04 -1.26 -2.33 135.00 134.22 3kbp s PRO 119 Ca 0.74 -0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.16 3kbp s PRO 119 Cb -0.40 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3kbp s PRO 119 CO 0.46 -2.11 1.08 -1.25 0.04 0.00 0.00 177.00 175.22 3kbp s PRO 120 N -5.69 2.18 0.34 0.56 0.04 -1.26 -0.10 135.00 131.07 3kbp s PRO 120 Ca 0.71 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 3kbp s PRO 120 Cb -0.05 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3kbp s PRO 120 CO 0.51 -1.62 1.34 -1.14 0.04 0.00 0.00 177.00 176.13 3kbp s GLN 121 N -5.02 4.31 0.08 4.56 0.74 -1.26 -3.96 119.66 119.12 3kbp s GLN 121 Ca 0.61 2.28 -0.37 0.00 0.05 0.00 0.00 55.36 57.93 3kbp s GLN 121 Cb -0.16 -3.06 -0.17 0.00 1.10 0.00 0.00 33.01 30.73 3kbp s GLN 121 CO 0.55 -0.25 1.24 2.41 -0.55 0.00 0.00 175.29 178.69 3kbp n THR 122 N 0.78 0.17 -3.54 -0.34 -1.04 -1.25 -4.75 114.28 104.31 3kbp n THR 122 Ca 0.00 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 3kbp n THR 122 Cb 0.41 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 3kbp n THR 122 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kbp s GLY 123 N 0.28 -0.47 0.06 3.41 0.00 -0.81 -4.99 107.32 104.80 3kbp s GLY 123 Ca 0.84 0.27 -0.23 0.00 0.00 0.00 0.00 44.72 45.59 3kbp s GLY 123 CO 0.50 0.07 1.61 -2.00 0.00 0.00 0.00 173.10 173.28 3kbp h LEU 124 N 2.02 0.05 -3.37 0.66 5.85 -1.80 -3.23 115.31 115.49 3kbp h LEU 124 Ca -0.30 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 3kbp h LEU 124 Cb 1.29 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 3kbp h LEU 124 CO 0.35 0.18 -0.02 0.47 -0.34 0.00 0.00 178.44 179.08 3kbp n ASP 125 N -4.99 2.82 -4.63 1.25 8.00 -1.26 -3.84 116.55 113.90 3kbp n ASP 125 Ca -0.07 -3.62 -0.43 0.00 0.71 0.00 0.00 54.79 51.39 3kbp n ASP 125 Cb 0.10 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 3kbp n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbp s VAL 126 N -3.17 4.61 0.59 2.53 1.01 -1.22 -4.79 120.40 119.96 3kbp s VAL 126 Ca 0.45 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 3kbp s VAL 126 Cb 0.40 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3kbp s VAL 126 CO 0.02 -0.41 1.02 -2.16 0.00 0.00 0.00 175.10 173.57 3kbp s PRO 127 N 3.41 3.66 -0.13 2.72 0.04 -1.26 -3.71 135.00 139.73 3kbp s PRO 127 Ca 0.40 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3kbp s PRO 127 Cb -0.13 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.45 3kbp s PRO 127 CO 0.15 -0.52 1.02 -0.47 0.04 0.00 0.00 177.00 177.22 3kbp s TYR 128 N -2.99 -0.31 -0.13 0.56 5.04 -1.01 -4.89 117.35 113.62 3kbp s TYR 128 Ca 0.56 0.40 -0.00 0.00 -2.44 0.00 0.00 57.07 55.60 3kbp s TYR 128 Cb -0.11 0.49 0.03 0.00 0.35 0.00 0.00 41.96 42.71 3kbp s TYR 128 CO 0.47 -0.35 -0.09 -0.08 -1.34 0.00 0.00 175.55 174.15 3kbp s THR 129 N -1.82 1.18 -0.06 4.34 -1.32 -1.26 -0.14 115.64 116.56 3kbp s THR 129 Ca 0.02 -0.40 -0.05 0.00 -1.21 0.00 0.00 61.69 60.05 3kbp s THR 129 Cb -0.01 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.77 3kbp s THR 129 CO -0.03 0.38 0.15 -0.36 -2.21 0.00 0.00 174.62 172.55 3kbp s PHE 130 N 1.64 3.55 0.00 9.09 0.08 -0.92 -0.86 117.98 130.56 3kbp s PHE 130 Ca 0.05 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.50 3kbp s PHE 130 Cb -0.13 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3kbp s PHE 130 CO -0.09 0.68 0.19 0.20 -0.10 0.00 0.00 175.22 176.10 3kbp s GLY 131 N -1.48 2.18 -0.18 4.36 0.00 0.76 -0.67 107.32 112.29 3kbp s GLY 131 Ca 0.21 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 3kbp s GLY 131 CO 0.11 -0.67 -0.16 1.08 0.00 0.00 0.00 173.10 173.46 3kbp s LEU 132 N -2.04 2.34 0.00 0.66 1.02 0.38 -0.22 118.68 120.82 3kbp s LEU 132 Ca 0.29 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3kbp s LEU 132 Cb -0.13 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.53 3kbp s LEU 132 CO 0.20 0.02 -0.03 -0.63 0.02 0.00 0.00 176.35 175.93 3kbp s ILE 133 N 1.21 0.23 -0.09 -0.59 1.01 -1.11 -0.79 121.20 121.07 3kbp s ILE 133 Ca 0.02 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 3kbp s ILE 133 Cb -0.14 -0.21 0.05 0.00 0.01 0.00 0.00 42.46 42.17 3kbp s ILE 133 CO -0.08 0.02 0.48 -0.83 0.00 0.00 0.00 174.94 174.53 3kbp s GLY 134 N -0.18 -0.35 -1.19 6.18 0.00 -1.23 -2.34 107.32 108.21 3kbp s GLY 134 Ca -0.00 1.01 -0.07 0.00 0.00 0.00 0.00 44.72 45.66 3kbp s GLY 134 CO -0.00 0.77 0.93 1.22 0.00 0.00 0.00 173.10 176.02 3kbp n ASP 135 N 1.80 -5.73 0.29 1.64 9.92 0.24 -2.61 116.55 122.11 3kbp n ASP 135 Ca -0.18 -0.42 -0.18 0.00 -0.53 0.00 0.00 54.79 53.48 3kbp n ASP 135 Cb 0.56 -4.37 -0.09 0.00 -0.64 0.00 0.00 41.12 36.58 3kbp n ASP 135 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3kbp h LEU 136 N -2.13 -1.22 0.00 0.64 5.85 -1.75 -0.97 115.31 115.73 3kbp h LEU 136 Ca -0.48 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3kbp h LEU 136 Cb 1.32 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3kbp h LEU 136 CO 0.48 -0.63 0.00 0.61 -0.34 0.00 0.00 178.44 178.56 3kbp n GLY 137 N -1.54 -0.33 2.53 3.75 0.00 -0.92 -1.26 105.19 107.42 3kbp n GLY 137 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 3kbp n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbp n GLN 138 N -0.42 1.81 -2.14 1.61 10.64 -1.24 -4.81 117.38 122.82 3kbp n GLN 138 Ca 0.00 -3.44 -0.28 0.00 -1.83 0.00 0.00 57.00 51.46 3kbp n GLN 138 Cb 0.00 -1.53 0.16 0.00 -0.86 0.00 0.00 30.24 28.01 3kbp n GLN 138 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3kbp s SER 139 N -3.57 3.55 0.19 2.61 1.04 -1.16 -1.20 113.70 115.15 3kbp s SER 139 Ca 0.32 0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 3kbp s SER 139 Cb 0.34 -0.24 0.09 0.00 0.10 0.00 0.00 66.02 66.31 3kbp s SER 139 CO -0.04 -2.43 1.70 -0.26 0.98 0.00 0.00 173.24 173.18 3kbp h PHE 140 N -1.27 1.11 -0.67 5.02 0.04 -1.87 -2.31 116.94 116.99 3kbp h PHE 140 Ca -0.42 -0.14 0.13 0.00 2.80 0.00 0.00 57.97 60.35 3kbp h PHE 140 Cb 1.25 -0.31 -0.09 0.00 2.20 0.00 0.00 35.95 38.99 3kbp h PHE 140 CO -0.81 0.92 0.17 -0.44 -0.60 0.00 0.00 178.31 177.56 3kbp h ASP 141 N 0.98 0.06 -0.89 2.17 3.32 -1.90 0.66 116.42 120.81 3kbp h ASP 141 Ca 0.20 0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.47 3kbp h ASP 141 Cb 0.37 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3kbp h ASP 141 CO 0.00 0.01 0.54 0.28 -1.72 0.00 0.00 179.24 178.36 3kbp h SER 142 N 0.30 0.80 -0.34 6.45 0.02 -1.55 0.17 113.55 119.41 3kbp h SER 142 Ca 0.36 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.35 3kbp h SER 142 Cb 0.56 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3kbp h SER 142 CO -0.43 0.47 0.22 -1.13 -1.14 0.00 0.00 176.83 174.81 3kbp h ASN 143 N 0.91 0.37 0.05 3.07 -1.24 0.46 -1.20 115.58 118.00 3kbp h ASN 143 Ca 0.42 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.44 3kbp h ASN 143 Cb 0.33 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 3kbp h ASN 143 CO -0.23 0.27 -0.17 0.74 -1.29 0.00 0.00 177.43 176.75 3kbp h THR 144 N 0.45 0.60 0.04 -3.57 2.02 0.10 -1.32 112.91 111.23 3kbp h THR 144 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 3kbp h THR 144 Cb -0.04 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3kbp h THR 144 CO -0.03 0.00 -0.29 0.74 0.37 0.00 0.00 175.52 176.31 3kbp h THR 145 N -0.30 0.37 -1.01 3.16 2.02 -0.55 0.25 112.91 116.85 3kbp h THR 145 Ca 0.04 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.45 3kbp h THR 145 Cb 0.35 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.01 3kbp h THR 145 CO -0.13 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.63 3kbp h LEU 146 N -0.46 0.66 -0.20 2.58 5.85 -0.84 0.28 115.31 123.18 3kbp h LEU 146 Ca 0.05 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3kbp h LEU 146 Cb 0.52 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kbp h LEU 146 CO -0.22 0.16 -0.56 0.77 -0.34 0.00 0.00 178.44 178.25 3kbp h SER 147 N 0.60 0.83 -0.69 1.25 4.64 0.34 0.30 113.55 120.83 3kbp h SER 147 Ca 0.61 -0.58 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3kbp h SER 147 Cb 1.16 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 3kbp h SER 147 CO -0.40 1.27 0.39 0.45 -0.87 0.00 0.00 176.83 177.67 3kbp h HIS 148 N 0.44 0.72 -0.45 4.77 3.86 0.25 0.21 115.15 124.95 3kbp h HIS 148 Ca -0.01 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 3kbp h HIS 148 Cb 1.18 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3kbp h HIS 148 CO 0.09 0.35 -0.10 -0.92 0.86 0.00 0.00 177.93 178.21 3kbp h TYR 149 N 0.72 0.88 0.00 2.45 3.20 -0.53 0.59 116.97 124.28 3kbp h TYR 149 Ca 0.31 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3kbp h TYR 149 Cb 0.18 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3kbp h TYR 149 CO -0.07 0.86 0.00 0.93 -1.64 0.00 0.00 178.16 178.24 3kbp h GLU 150 N 0.73 0.00 0.00 1.82 5.08 0.97 -3.03 114.58 120.14 3kbp h GLU 150 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kbp h GLU 150 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3kbp h GLU 150 CO 0.04 0.00 -0.71 1.28 -1.00 0.00 0.00 179.01 178.62 3kbp n LEU 151 N -2.83 0.17 -4.68 1.33 4.77 -0.30 -5.01 117.00 110.44 3kbp n LEU 151 Ca -0.02 -0.29 -0.63 0.00 -0.03 0.00 0.00 56.01 55.04 3kbp n LEU 151 Cb 0.11 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3kbp n LEU 151 CO 0.19 0.04 1.05 -1.20 -1.33 0.00 0.00 177.39 176.14 3kbp n SER 152 N -1.38 1.23 -0.22 -1.43 7.64 0.06 -4.78 113.62 114.74 3kbp n SER 152 Ca 0.00 1.16 0.03 0.00 1.01 0.00 0.00 58.87 61.07 3kbp n SER 152 Cb 0.12 -0.96 0.14 0.00 -1.01 0.00 0.00 64.21 62.51 3kbp n SER 152 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kbp h PRO 153 N 5.01 0.24 -6.36 1.43 0.13 -1.91 -3.27 132.00 127.27 3kbp h PRO 153 Ca -0.46 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3kbp h PRO 153 Cb 1.37 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 3kbp h PRO 153 CO 0.90 0.16 1.04 -1.59 -0.23 0.00 0.00 178.00 178.27 3kbp s LYS 154 N -6.09 3.81 -0.17 0.86 0.00 -1.26 -4.95 119.74 111.94 3kbp s LYS 154 Ca -0.13 1.30 -0.22 0.00 0.00 0.00 0.00 55.97 56.92 3kbp s LYS 154 Cb 0.20 -3.95 -0.02 0.00 0.00 0.00 0.00 37.83 34.05 3kbp s LYS 154 CO 0.75 -1.26 0.68 -1.59 0.00 0.00 0.00 175.35 173.93 3kbp s LYS 155 N 4.47 4.27 0.57 1.78 0.00 -1.23 -5.03 119.74 124.56 3kbp s LYS 155 Ca 0.62 0.74 -0.20 0.00 0.00 0.00 0.00 55.97 57.13 3kbp s LYS 155 Cb -0.18 -3.56 -0.04 0.00 0.00 0.00 0.00 37.83 34.05 3kbp s LYS 155 CO 0.27 -0.21 1.30 0.20 0.00 0.00 0.00 175.35 176.90 3kbp s GLY 156 N 1.12 2.84 0.00 0.59 0.00 -1.26 -4.80 107.32 105.81 3kbp s GLY 156 Ca 0.32 1.21 0.02 0.00 0.00 0.00 0.00 44.72 46.26 3kbp s GLY 156 CO 0.12 1.67 0.09 -1.06 0.00 0.00 0.00 173.10 173.92 3kbp n GLN 157 N -1.30 6.12 -3.57 2.90 6.02 -0.04 -4.98 117.38 122.54 3kbp n GLN 157 Ca 0.12 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 3kbp n GLN 157 Cb 0.47 -0.60 -0.06 0.00 1.02 0.00 0.00 30.24 31.07 3kbp n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kbp s THR 158 N -1.12 0.00 -0.18 5.09 2.01 -1.24 -4.58 115.64 115.62 3kbp s THR 158 Ca 0.01 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 3kbp s THR 158 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 3kbp s THR 158 CO 0.07 0.00 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.24 3kbp s VAL 159 N -0.66 3.36 -0.36 3.82 1.01 -0.68 -0.17 120.40 126.73 3kbp s VAL 159 Ca -0.06 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 3kbp s VAL 159 Cb -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kbp s VAL 159 CO 0.05 0.47 0.65 -0.76 0.00 0.00 0.00 175.10 175.51 3kbp s LEU 160 N 0.94 4.25 -0.38 3.92 1.43 0.70 -0.65 118.68 128.88 3kbp s LEU 160 Ca -0.01 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3kbp s LEU 160 Cb -0.15 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.28 3kbp s LEU 160 CO 0.00 -0.61 0.41 0.12 0.23 0.00 0.00 176.35 176.51 3kbp s PHE 161 N 2.74 3.19 -1.62 0.29 2.19 -0.15 -2.76 117.98 121.86 3kbp s PHE 161 Ca 0.25 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.31 3kbp s PHE 161 Cb -0.14 -2.80 0.00 0.00 -1.31 0.00 0.00 43.02 38.76 3kbp s PHE 161 CO 0.15 -0.58 0.80 1.55 1.83 0.00 0.00 175.22 178.97 3kbp n VAL 162 N 5.35 0.00 0.00 3.12 3.14 -0.99 -2.32 118.33 126.64 3kbp n VAL 162 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 3kbp n VAL 162 Cb 0.48 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3kbp n VAL 162 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3kbp n GLY 163 N 0.31 2.86 2.76 7.55 0.00 -1.20 -4.07 105.19 113.40 3kbp n GLY 163 Ca 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 3kbp n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kbp n ASP 164 N 0.00 -7.82 -0.01 1.61 9.92 -1.26 -0.59 116.55 118.40 3kbp n ASP 164 Ca 0.00 1.36 -0.21 0.00 -0.53 0.00 0.00 54.79 55.40 3kbp n ASP 164 Cb 0.00 -5.04 -0.14 0.00 -0.64 0.00 0.00 41.12 35.31 3kbp n ASP 164 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3kbp h LEU 165 N 3.13 0.34 0.00 0.64 4.07 -1.94 -3.02 115.31 118.54 3kbp h LEU 165 Ca -0.01 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.12 3kbp h LEU 165 Cb 0.11 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.73 3kbp h LEU 165 CO 0.09 1.64 0.00 -1.54 -1.08 0.00 0.00 178.44 177.55 3kbp n SER 166 N -3.92 0.00 -1.64 -0.43 3.41 -1.26 -2.16 113.62 107.62 3kbp n SER 166 Ca -0.27 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.15 3kbp n SER 166 Cb 0.89 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.78 3kbp n SER 166 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kbp n TYR 167 N 0.00 -0.20 0.19 7.33 4.02 -1.26 -4.49 117.16 122.75 3kbp n TYR 167 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 3kbp n TYR 167 Cb 0.00 -3.38 0.68 0.00 -0.02 0.00 0.00 39.34 36.63 3kbp n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kbp h ALA 168 N 0.20 2.09 0.00 -0.72 0.00 -1.89 -0.64 119.26 118.30 3kbp h ALA 168 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kbp h ALA 168 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kbp h ALA 168 CO 0.57 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 3kbp n ASP 169 N -4.40 0.00 0.02 0.00 5.75 -1.26 -0.98 116.55 115.68 3kbp n ASP 169 Ca 0.01 -0.45 -0.04 0.00 -0.01 0.00 0.00 54.79 54.30 3kbp n ASP 169 Cb 0.24 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.23 3kbp n ASP 169 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3kbp h ARG 170 N 0.00 0.00 -7.36 0.11 3.08 -1.47 -3.42 114.38 105.31 3kbp h ARG 170 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3kbp h ARG 170 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.18 3kbp h ARG 170 CO 0.00 0.49 0.28 0.71 -1.07 0.00 0.00 179.97 180.39 3kbp s TYR 171 N -2.77 2.52 0.17 3.04 1.51 -0.15 -4.95 117.35 116.72 3kbp s TYR 171 Ca -0.02 1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 56.96 3kbp s TYR 171 Cb 0.08 -3.14 -0.08 0.00 -0.11 0.00 0.00 41.96 38.71 3kbp s TYR 171 CO 0.81 -2.14 1.18 -1.25 -1.11 0.00 0.00 175.55 173.04 3kbp s PRO 172 N -5.02 4.50 -1.74 -1.71 0.04 -1.26 -2.24 135.00 127.57 3kbp s PRO 172 Ca 0.62 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3kbp s PRO 172 Cb -0.17 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3kbp s PRO 172 CO 0.56 -0.08 0.00 0.09 0.04 0.00 0.00 177.00 177.61 3kbp n ASN 173 N 2.60 -5.52 -2.16 6.66 5.03 -1.26 -1.03 115.26 119.58 3kbp n ASN 173 Ca 0.04 0.09 -0.12 0.00 0.87 0.00 0.00 54.58 55.46 3kbp n ASN 173 Cb 0.45 -4.59 -0.02 0.00 -1.02 0.00 0.00 39.78 34.60 3kbp n ASN 173 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kbp n HIS 174 N -3.68 -1.17 0.00 3.10 8.25 -0.95 -4.32 115.22 116.46 3kbp n HIS 174 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 3kbp n HIS 174 Cb 0.67 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 29.13 3kbp n HIS 174 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kbp n ASP 175 N -1.44 0.00 0.00 0.41 -0.08 -0.20 -4.52 116.55 110.73 3kbp n ASP 175 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 3kbp n ASP 175 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 3kbp n ASP 175 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3kbp n ASN 176 N 0.00 0.00 -0.17 1.67 5.03 -1.26 -0.32 115.26 120.21 3kbp n ASN 176 Ca 0.00 0.10 -0.05 0.00 0.87 0.00 0.00 54.58 55.50 3kbp n ASN 176 Cb 0.00 -0.10 0.12 0.00 -1.02 0.00 0.00 39.78 38.78 3kbp n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3kbp h VAL 177 N 0.00 1.25 0.00 2.41 2.07 -1.97 0.90 116.25 120.91 3kbp h VAL 177 Ca 0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3kbp h VAL 177 Cb 0.17 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kbp h VAL 177 CO 0.00 0.36 0.06 0.03 0.02 0.00 0.00 177.57 178.04 3kbp h ARG 178 N 0.89 0.00 0.16 1.57 2.47 -0.98 1.88 114.38 120.37 3kbp h ARG 178 Ca 0.18 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.59 3kbp h ARG 178 Cb 0.41 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 3kbp h ARG 178 CO 0.01 0.00 -1.41 -1.49 0.56 0.00 0.00 179.97 177.64 3kbp h TRP 179 N 0.00 0.63 -0.29 3.04 4.06 -1.00 -2.81 115.95 119.58 3kbp h TRP 179 Ca 0.00 -0.46 -0.10 0.00 2.06 0.00 0.00 58.89 60.39 3kbp h TRP 179 Cb 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3kbp h TRP 179 CO 0.00 1.41 -0.22 -0.44 -3.56 0.00 0.00 178.44 175.62 3kbp h ASP 180 N 0.09 0.70 -0.00 -3.49 3.32 0.31 -2.14 116.42 115.21 3kbp h ASP 180 Ca -0.21 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3kbp h ASP 180 Cb 2.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 3kbp h ASP 180 CO 0.21 1.00 -0.02 0.71 -1.72 0.00 0.00 179.24 179.42 3kbp h THR 181 N 0.41 0.94 -0.89 0.35 1.35 -0.79 -2.14 112.91 112.14 3kbp h THR 181 Ca 0.05 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.01 3kbp h THR 181 Cb 0.78 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 3kbp h THR 181 CO 0.06 0.00 0.58 -0.25 -0.25 0.00 0.00 175.52 175.66 3kbp h TRP 182 N -0.04 0.96 -0.49 4.73 7.01 -1.50 0.25 115.95 126.88 3kbp h TRP 182 Ca 0.01 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 3kbp h TRP 182 Cb 0.05 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 3kbp h TRP 182 CO -0.10 0.45 0.05 0.78 -2.79 0.00 0.00 178.44 176.83 3kbp h GLY 183 N 0.90 0.84 0.96 2.65 0.00 -0.93 -1.96 103.07 105.52 3kbp h GLY 183 Ca 0.41 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3kbp h GLY 183 CO -0.17 0.49 -0.60 3.21 0.00 0.00 0.00 176.54 179.46 3kbp h ARG 184 N 0.74 0.60 0.19 4.80 3.08 -0.34 -3.08 114.38 120.37 3kbp h ARG 184 Ca 0.15 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.71 3kbp h ARG 184 Cb 0.38 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3kbp h ARG 184 CO 0.01 1.12 -0.50 0.35 -1.07 0.00 0.00 179.97 179.88 3kbp h PHE 185 N 0.23 -1.43 0.00 3.04 3.57 -0.32 -2.83 116.94 119.20 3kbp h PHE 185 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kbp h PHE 185 Cb 1.25 0.60 0.00 0.00 2.79 0.00 0.00 35.95 40.59 3kbp h PHE 185 CO 0.11 -0.60 0.00 0.25 -2.23 0.00 0.00 178.31 175.84 3kbp n THR 186 N -5.50 0.50 -0.32 4.41 -2.24 -0.76 -4.10 114.28 106.27 3kbp n THR 186 Ca -0.09 0.12 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 3kbp n THR 186 Cb 0.42 -0.76 0.40 0.00 -2.10 0.00 0.00 70.33 68.28 3kbp n THR 186 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kbp h GLU 187 N 0.00 0.61 -0.30 -0.78 4.81 -1.40 0.43 114.58 117.95 3kbp h GLU 187 Ca 0.00 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3kbp h GLU 187 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3kbp h GLU 187 CO 0.00 0.40 0.33 0.07 -0.73 0.00 0.00 179.01 179.09 3kbp h ARG 188 N 0.63 0.00 0.00 1.92 0.11 -1.78 -0.09 114.38 115.17 3kbp h ARG 188 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 3kbp h ARG 188 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3kbp h ARG 188 CO -0.31 0.00 -0.47 0.45 0.10 0.00 0.00 179.97 179.74 3kbp n SER 189 N -3.72 0.99 0.24 0.08 2.88 0.10 -4.65 113.62 109.54 3kbp n SER 189 Ca 0.04 0.22 0.18 0.00 -1.33 0.00 0.00 58.87 57.98 3kbp n SER 189 Cb 0.48 -0.64 0.86 0.00 -0.75 0.00 0.00 64.21 64.17 3kbp n SER 189 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3kbp h VAL 190 N -0.52 0.25 0.00 2.46 -1.51 -1.36 -0.47 116.25 115.11 3kbp h VAL 190 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kbp h VAL 190 Cb 0.47 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3kbp h VAL 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3kbp n ALA 191 N -2.17 2.03 -0.01 5.19 0.00 -0.05 -1.63 120.51 123.87 3kbp n ALA 191 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kbp n ALA 191 Cb 0.36 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 3kbp n ALA 191 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kbp n TYR 192 N -1.91 0.00 -3.81 0.00 4.02 -0.24 -4.54 117.16 110.67 3kbp n TYR 192 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.80 3kbp n TYR 192 Cb 0.31 -0.16 -0.15 0.00 -0.02 0.00 0.00 39.34 39.32 3kbp n TYR 192 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3kbp s GLN 193 N -2.21 -0.01 0.60 -0.72 -2.07 -0.86 -4.41 119.66 109.99 3kbp s GLN 193 Ca -0.02 0.12 -0.19 0.00 -1.82 0.00 0.00 55.36 53.45 3kbp s GLN 193 Cb 0.02 -0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 31.77 3kbp s GLN 193 CO 0.19 -0.09 1.11 -0.35 -1.32 0.00 0.00 175.29 174.83 3kbp n PRO 194 N 3.68 1.08 -4.89 9.60 -0.04 -1.26 -4.16 135.00 139.00 3kbp n PRO 194 Ca -0.21 0.41 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 3kbp n PRO 194 Cb 0.55 -2.32 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 3kbp n PRO 194 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kbp s TRP 195 N -1.44 2.08 -0.24 0.54 0.52 -1.24 -1.68 118.94 117.49 3kbp s TRP 195 Ca 0.77 -0.84 -0.20 0.00 0.02 0.00 0.00 56.10 55.84 3kbp s TRP 195 Cb -0.41 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 3kbp s TRP 195 CO 0.46 -0.37 0.61 0.42 0.02 0.00 0.00 176.95 178.09 3kbp s ILE 196 N 0.53 5.01 0.06 2.03 -1.09 0.18 -4.73 121.20 123.20 3kbp s ILE 196 Ca -0.16 1.12 -0.22 0.00 -2.23 0.00 0.00 60.65 59.16 3kbp s ILE 196 Cb -0.17 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.73 3kbp s ILE 196 CO 0.06 0.06 0.66 0.26 -1.23 0.00 0.00 174.94 174.76 3kbp s TRP 197 N 2.27 3.78 -0.07 3.97 0.52 -1.26 -0.98 118.94 127.16 3kbp s TRP 197 Ca 0.26 1.37 0.02 0.00 0.02 0.00 0.00 56.10 57.77 3kbp s TRP 197 Cb -0.16 -2.66 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 3kbp s TRP 197 CO 0.09 0.43 -0.11 0.99 0.02 0.00 0.00 176.95 178.37 3kbp s THR 198 N -0.61 1.11 0.12 2.01 2.01 -0.98 -5.00 115.64 114.31 3kbp s THR 198 Ca 0.33 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 3kbp s THR 198 Cb -0.20 -1.03 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 3kbp s THR 198 CO 0.21 0.36 1.59 0.00 -0.69 0.00 0.00 174.62 176.08 3kbp s ALA 199 N 0.82 3.73 0.39 7.40 0.00 -1.26 -3.25 121.76 129.59 3kbp s ALA 199 Ca -0.12 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3kbp s ALA 199 Cb -0.15 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 3kbp s ALA 199 CO 0.02 -0.90 0.18 0.20 0.00 0.00 0.00 175.76 175.26 3kbp s GLY 200 N 1.64 2.19 0.41 0.00 0.00 -1.26 -4.61 107.32 105.70 3kbp s GLY 200 Ca 0.71 -2.00 0.11 0.00 0.00 0.00 0.00 44.72 43.54 3kbp s GLY 200 CO 0.31 -1.85 1.96 3.45 0.00 0.00 0.00 173.10 176.98 3kbp h ASN 201 N 1.45 0.17 0.67 1.64 -1.07 -1.95 0.98 115.58 117.48 3kbp h ASN 201 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.91 3kbp h ASN 201 Cb 1.25 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 3kbp h ASN 201 CO 0.67 0.30 0.00 0.45 0.07 0.00 0.00 177.43 178.92 3kbp h HIS 202 N 0.18 0.00 0.00 4.14 3.86 -1.97 -1.73 115.15 119.63 3kbp h HIS 202 Ca 0.04 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3kbp h HIS 202 Cb 0.30 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3kbp h HIS 202 CO 0.00 0.00 -0.69 0.93 0.86 0.00 0.00 177.93 179.04 3kbp h GLU 203 N 0.00 0.00 -0.19 2.45 3.07 -1.19 -3.35 114.58 115.37 3kbp h GLU 203 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 3kbp h GLU 203 Cb 0.33 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.18 3kbp h GLU 203 CO 0.00 0.69 -0.28 0.82 -1.40 0.00 0.00 179.01 178.84 3kbp h ILE 204 N 0.00 0.34 -6.22 3.13 2.04 -1.28 -3.27 117.51 112.25 3kbp h ILE 204 Ca -0.01 0.00 -0.44 0.00 1.00 0.00 0.00 64.86 65.42 3kbp h ILE 204 Cb 1.41 0.34 0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3kbp h ILE 204 CO 0.09 0.00 -0.89 -0.62 0.00 0.00 0.00 178.15 176.73 3kbp n GLU 205 N -5.39 -2.78 -2.77 2.37 1.02 -1.26 -0.55 120.64 111.28 3kbp n GLU 205 Ca -0.02 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.20 3kbp n GLU 205 Cb 0.31 -4.59 -0.04 0.00 -0.02 0.00 0.00 31.44 27.10 3kbp n GLU 205 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3kbp s PHE 206 N -3.65 2.59 -0.71 -0.32 5.36 -1.26 -4.75 117.98 115.24 3kbp s PHE 206 Ca 0.22 -0.34 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 3kbp s PHE 206 Cb -0.07 -4.35 0.26 0.00 -0.34 0.00 0.00 43.02 38.51 3kbp s PHE 206 CO 0.85 -1.72 0.88 0.00 -1.46 0.00 0.00 175.22 173.77 3kbp n ALA 207 N 8.11 4.29 -0.28 11.12 0.00 0.65 -4.91 120.51 139.49 3kbp n ALA 207 Ca -0.01 -4.78 0.08 0.00 0.00 0.00 0.00 53.44 48.73 3kbp n ALA 207 Cb 0.47 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 19.02 3kbp n ALA 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kbp h PRO 208 N 4.32 0.41 -0.83 0.00 0.11 -1.77 -0.18 132.00 134.06 3kbp h PRO 208 Ca 0.20 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.45 3kbp h PRO 208 Cb 0.64 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.56 3kbp h PRO 208 CO 0.92 0.27 0.38 0.93 -0.21 0.00 0.00 178.00 180.29 3kbp h GLU 209 N 0.43 0.49 -0.68 1.05 3.07 -1.91 0.20 114.58 117.23 3kbp h GLU 209 Ca 0.48 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 59.11 3kbp h GLU 209 Cb 0.80 -0.11 -0.12 0.00 -0.84 0.00 0.00 28.75 28.48 3kbp h GLU 209 CO -0.46 0.32 0.23 0.44 -1.40 0.00 0.00 179.01 178.14 3kbp n ILE 210 N -4.96 2.88 -2.42 3.13 -5.35 -0.67 -4.92 119.36 107.04 3kbp n ILE 210 Ca 0.18 -1.73 -0.21 0.00 -0.27 0.00 0.00 62.75 60.71 3kbp n ILE 210 Cb 0.49 -0.35 -0.01 0.00 -1.74 0.00 0.00 39.64 38.03 3kbp n ILE 210 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kbp n ASN 211 N -0.25 -5.96 -4.38 7.28 3.02 0.71 -4.89 115.26 110.78 3kbp n ASN 211 Ca 0.39 -0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.55 3kbp n ASN 211 Cb 1.34 -4.96 -0.13 0.00 -0.61 0.00 0.00 39.78 35.42 3kbp n ASN 211 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kbp s GLU 212 N -5.07 3.44 -0.00 3.52 0.41 -0.17 -4.94 118.70 115.89 3kbp s GLU 212 Ca 0.01 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 3kbp s GLU 212 Cb -0.00 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3kbp s GLU 212 CO 0.01 -0.26 0.65 0.25 -0.49 0.00 0.00 175.26 175.43 3kbp n THR 213 N 4.88 0.06 -3.44 3.63 -2.24 -1.26 -0.25 114.28 115.65 3kbp n THR 213 Ca -0.16 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 3kbp n THR 213 Cb 0.50 0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 3kbp n THR 213 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kbp s GLU 214 N -0.07 2.90 0.31 -0.78 2.12 -1.26 -4.95 118.70 116.98 3kbp s GLU 214 Ca 0.00 -1.34 -0.27 0.00 0.36 0.00 0.00 54.97 53.72 3kbp s GLU 214 Cb 0.00 -4.04 -0.14 0.00 0.26 0.00 0.00 34.13 30.21 3kbp s GLU 214 CO 0.00 -0.98 0.98 -2.30 -0.54 0.00 0.00 175.26 172.42 3kbp n PRO 215 N 5.14 1.29 -1.94 4.30 -0.02 -1.26 -2.58 135.00 139.94 3kbp n PRO 215 Ca -0.12 0.46 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 3kbp n PRO 215 Cb 0.44 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3kbp n PRO 215 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kbp n PHE 216 N 0.08 -0.44 0.08 6.00 3.72 0.29 -4.95 117.46 122.23 3kbp n PHE 216 Ca 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.47 3kbp n PHE 216 Cb 0.33 -3.65 -0.01 0.00 -0.94 0.00 0.00 39.48 35.20 3kbp n PHE 216 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3kbp h LYS 217 N 0.00 -0.19 -1.00 -1.08 3.64 -1.72 0.15 116.57 116.37 3kbp h LYS 217 Ca -0.45 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 3kbp h LYS 217 Cb 1.35 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.13 3kbp h LYS 217 CO 0.60 -0.13 0.63 -1.35 -2.27 0.00 0.00 179.45 176.93 3kbp h PRO 218 N -0.20 0.97 0.04 1.90 0.11 -1.89 -0.99 132.00 131.95 3kbp h PRO 218 Ca -0.02 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3kbp h PRO 218 Cb 0.15 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3kbp h PRO 218 CO 0.03 0.64 -0.10 0.35 -0.21 0.00 0.00 178.00 178.71 3kbp h PHE 219 N 1.00 -0.25 -0.39 0.65 3.57 -1.81 -2.25 116.94 117.46 3kbp h PHE 219 Ca 0.49 0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.01 3kbp h PHE 219 Cb 0.47 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3kbp h PHE 219 CO -0.00 -0.15 0.26 0.66 -2.23 0.00 0.00 178.31 176.85 3kbp h SER 220 N -0.19 0.41 -0.06 0.41 4.64 0.57 0.33 113.55 119.66 3kbp h SER 220 Ca 0.02 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 3kbp h SER 220 Cb 0.21 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3kbp h SER 220 CO -0.07 0.29 -0.61 1.88 -0.87 0.00 0.00 176.83 177.46 3kbp h TYR 221 N 0.48 0.86 0.23 4.77 0.05 -0.74 -3.34 116.97 119.28 3kbp h TYR 221 Ca 0.15 -0.32 -0.34 0.00 0.05 0.00 0.00 58.73 58.27 3kbp h TYR 221 Cb 0.02 -0.15 0.03 0.00 1.01 0.00 0.00 36.73 37.63 3kbp h TYR 221 CO -0.00 1.10 -1.56 0.00 -1.05 0.00 0.00 178.16 176.65 3kbp h ARG 222 N 0.50 0.48 -4.90 4.88 3.08 -0.96 -3.45 114.38 114.01 3kbp h ARG 222 Ca -0.00 -0.82 -0.67 0.00 0.07 0.00 0.00 59.98 58.56 3kbp h ARG 222 Cb 1.19 0.31 -0.29 0.00 0.08 0.00 0.00 29.97 31.25 3kbp h ARG 222 CO 0.12 1.39 -0.70 0.71 -1.07 0.00 0.00 179.97 180.42 3kbp s TYR 223 N -2.58 3.06 0.13 3.04 2.02 0.06 -4.98 117.35 118.09 3kbp s TYR 223 Ca -0.12 -1.21 0.07 0.00 -0.37 0.00 0.00 57.07 55.44 3kbp s TYR 223 Cb 0.04 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3kbp s TYR 223 CO 0.91 -0.63 -0.08 -1.01 -1.57 0.00 0.00 175.55 173.17 3kbp s HIS 224 N 1.42 2.75 0.06 2.71 3.76 -1.26 -4.55 115.29 120.18 3kbp s HIS 224 Ca 0.02 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 3kbp s HIS 224 Cb -0.16 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 3kbp s HIS 224 CO -0.02 0.46 -0.08 0.14 -0.85 0.00 0.00 174.74 174.39 3kbp s VAL 225 N -1.38 0.64 -1.02 -0.90 -7.23 -1.26 -4.93 120.40 104.31 3kbp s VAL 225 Ca 0.23 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 3kbp s VAL 225 Cb -0.10 -0.98 -0.13 0.00 0.56 0.00 0.00 36.38 35.73 3kbp s VAL 225 CO 0.15 -0.53 2.90 -0.81 -0.31 0.00 0.00 175.10 176.50 3kbp n PRO 226 N 0.97 2.84 -0.10 4.82 -0.04 -1.26 -4.60 135.00 137.63 3kbp n PRO 226 Ca -0.19 -1.68 -0.04 0.00 -0.04 0.00 0.00 63.50 61.55 3kbp n PRO 226 Cb 0.57 -2.49 0.17 0.00 -0.04 0.00 0.00 33.50 31.71 3kbp n PRO 226 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 3kbp h TYR 227 N 4.76 0.82 0.00 0.54 -0.00 -1.91 0.01 116.97 121.20 3kbp h TYR 227 Ca 0.60 -0.11 0.00 0.00 -0.00 0.00 0.00 58.73 59.23 3kbp h TYR 227 Cb 0.57 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 37.07 3kbp h TYR 227 CO 1.85 0.75 0.00 0.39 -0.00 0.00 0.00 178.16 181.15 3kbp n GLU 228 N -4.23 0.15 -0.17 0.10 4.71 -1.26 -2.11 120.64 117.83 3kbp n GLU 228 Ca 0.03 0.56 -0.08 0.00 -0.01 0.00 0.00 57.16 57.66 3kbp n GLU 228 Cb 0.28 -1.90 0.06 0.00 -1.01 0.00 0.00 31.44 28.88 3kbp n GLU 228 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kbp h ALA 229 N 2.09 0.89 -3.12 0.62 0.00 -1.33 -3.40 119.26 115.01 3kbp h ALA 229 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kbp h ALA 229 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kbp h ALA 229 CO 0.00 0.65 0.00 0.43 0.00 0.00 0.00 179.25 180.33 3kbp n SER 230 N -4.17 0.00 -2.38 0.00 7.64 -0.90 -4.77 113.62 109.03 3kbp n SER 230 Ca 0.02 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.93 3kbp n SER 230 Cb 0.35 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.58 3kbp n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp n GLN 231 N -0.68 3.23 -2.35 1.43 3.00 -1.26 -4.96 117.38 115.79 3kbp n GLN 231 Ca 0.00 -3.99 -0.36 0.00 -0.01 0.00 0.00 57.00 52.64 3kbp n GLN 231 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 30.24 27.95 3kbp n GLN 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3kbp s SER 232 N -2.79 6.23 -0.15 1.08 0.15 -1.12 -4.92 113.70 112.19 3kbp s SER 232 Ca 0.53 2.18 0.16 0.00 0.70 0.00 0.00 55.95 59.52 3kbp s SER 232 Cb 0.43 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.81 3kbp s SER 232 CO -0.12 -0.87 1.57 0.35 1.20 0.00 0.00 173.24 175.37 3kbp n THR 233 N -0.61 2.08 -3.63 6.45 -2.24 -1.26 -4.23 114.28 110.85 3kbp n THR 233 Ca 0.08 -1.40 -0.14 0.00 -2.27 0.00 0.00 64.05 60.33 3kbp n THR 233 Cb 0.49 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 3kbp n THR 233 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kbp s SER 234 N -1.15 -0.72 0.00 3.42 0.15 -1.26 -5.03 113.70 109.12 3kbp s SER 234 Ca 0.47 1.38 0.15 0.00 0.70 0.00 0.00 55.95 58.65 3kbp s SER 234 Cb 0.33 1.40 0.68 0.00 -1.71 0.00 0.00 66.02 66.72 3kbp s SER 234 CO 0.18 -0.25 1.47 -0.81 1.20 0.00 0.00 173.24 175.03 3kbp n PRO 235 N 2.61 0.06 0.00 5.44 -0.04 -1.26 -3.09 135.00 138.72 3kbp n PRO 235 Ca -0.14 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 3kbp n PRO 235 Cb 0.55 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.26 3kbp n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kbp n PHE 236 N -1.44 0.00 -3.65 0.54 3.72 -1.26 -4.74 117.46 110.62 3kbp n PHE 236 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 3kbp n PHE 236 Cb 0.16 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 3kbp n PHE 236 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 3kbp s TRP 237 N -2.40 -0.89 0.00 1.38 -2.14 -1.18 -3.74 118.94 109.97 3kbp s TRP 237 Ca 0.32 1.91 0.00 0.00 2.66 0.00 0.00 56.10 60.99 3kbp s TRP 237 Cb 0.19 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 31.02 3kbp s TRP 237 CO 0.40 -0.44 0.00 2.48 -2.66 0.00 0.00 176.95 176.72 3kbp n TYR 238 N 3.76 -0.33 -3.59 1.66 4.11 -0.97 -4.69 117.16 117.11 3kbp n TYR 238 Ca -0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.60 3kbp n TYR 238 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.87 3kbp n TYR 238 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3kbp s SER 239 N 0.25 -0.34 0.01 9.48 1.04 -1.26 -0.58 113.70 122.30 3kbp s SER 239 Ca 0.00 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.23 3kbp s SER 239 Cb 0.00 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 3kbp s SER 239 CO 0.00 -0.83 0.12 0.27 0.98 0.00 0.00 173.24 173.79 3kbp s ILE 240 N -3.39 0.09 -0.06 -1.02 -4.36 0.44 -4.52 121.20 108.38 3kbp s ILE 240 Ca 0.00 -0.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3kbp s ILE 240 Cb 0.01 -0.49 -0.03 0.00 1.25 0.00 0.00 42.46 43.20 3kbp s ILE 240 CO -0.09 -0.42 -0.05 -0.54 0.24 0.00 0.00 174.94 174.08 3kbp s LYS 241 N -1.56 2.77 -0.22 0.37 1.02 0.44 -0.51 119.74 122.04 3kbp s LYS 241 Ca -0.14 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 3kbp s LYS 241 Cb -0.07 -2.63 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 3kbp s LYS 241 CO 0.01 0.66 0.54 0.50 -0.92 0.00 0.00 175.35 176.14 3kbp s ARG 242 N -0.97 0.54 5.38 1.68 3.52 -0.79 -4.07 118.95 124.23 3kbp s ARG 242 Ca 0.14 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 3kbp s ARG 242 Cb -0.11 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 3kbp s ARG 242 CO 0.03 -0.15 0.00 0.00 -0.81 0.00 0.00 175.30 174.37 3kbp n ALA 243 N 4.26 0.00 0.63 6.12 0.00 -1.25 -1.05 120.51 129.21 3kbp n ALA 243 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.29 3kbp n ALA 243 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3kbp n ALA 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kbp n SER 244 N 7.77 1.44 -4.93 0.00 3.41 -1.24 -1.93 113.62 118.14 3kbp n SER 244 Ca 0.00 -1.22 -0.27 0.00 -0.26 0.00 0.00 58.87 57.12 3kbp n SER 244 Cb 0.00 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3kbp n SER 244 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbp s ALA 245 N -1.75 3.81 -0.19 7.33 0.00 -0.21 -2.43 121.76 128.32 3kbp s ALA 245 Ca 0.11 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3kbp s ALA 245 Cb 0.11 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.25 3kbp s ALA 245 CO 0.37 0.38 -0.17 -1.58 0.00 0.00 0.00 175.76 174.75 3kbp s HIS 246 N -1.92 2.75 -0.14 0.00 2.46 0.18 -1.89 115.29 116.74 3kbp s HIS 246 Ca 0.39 -1.69 -0.00 0.00 0.47 0.00 0.00 55.06 54.23 3kbp s HIS 246 Cb -0.11 -1.87 -0.01 0.00 -0.13 0.00 0.00 32.58 30.47 3kbp s HIS 246 CO 0.30 -0.80 -0.13 0.42 -2.47 0.00 0.00 174.74 172.06 3kbp s ILE 247 N 1.29 3.00 -0.14 0.89 1.01 0.34 -1.17 121.20 126.42 3kbp s ILE 247 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3kbp s ILE 247 Cb -0.14 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3kbp s ILE 247 CO -0.11 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.59 3kbp s ILE 248 N 0.49 3.10 -0.18 2.92 1.01 -0.73 -0.42 121.20 127.40 3kbp s ILE 248 Ca -0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3kbp s ILE 248 Cb -0.16 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3kbp s ILE 248 CO 0.04 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 3kbp s VAL 249 N 0.47 3.32 0.48 2.92 1.01 0.26 -0.71 120.40 128.14 3kbp s VAL 249 Ca -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3kbp s VAL 249 Cb -0.16 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3kbp s VAL 249 CO 0.04 0.48 0.30 -0.76 0.00 0.00 0.00 175.10 175.16 3kbp s LEU 250 N 0.87 2.88 -0.23 3.92 1.43 -0.61 -2.29 118.68 124.65 3kbp s LEU 250 Ca -0.02 -1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 51.91 3kbp s LEU 250 Cb -0.15 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.79 3kbp s LEU 250 CO 0.01 -0.85 -0.01 -0.55 0.23 0.00 0.00 176.35 175.18 3kbp s SER 251 N -4.11 3.60 0.49 2.29 0.15 -1.24 -4.65 113.70 110.23 3kbp s SER 251 Ca 0.35 -1.14 0.23 0.00 0.70 0.00 0.00 55.95 56.09 3kbp s SER 251 Cb -0.00 -0.98 1.28 0.00 -1.71 0.00 0.00 66.02 64.61 3kbp s SER 251 CO 0.21 -0.28 2.04 0.28 1.20 0.00 0.00 173.24 176.69 3kbp h SER 252 N 8.05 0.00 -0.50 5.45 0.02 -1.92 -2.54 113.55 122.10 3kbp h SER 252 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3kbp h SER 252 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3kbp h SER 252 CO 0.40 0.15 0.00 -1.22 -1.14 0.00 0.00 176.83 175.02 3kbp n TYR 253 N -3.88 0.87 -3.03 3.45 4.01 -1.26 -4.86 117.16 112.46 3kbp n TYR 253 Ca -0.02 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 3kbp n TYR 253 Cb 0.24 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3kbp n TYR 253 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3kbp n SER 254 N 0.83 0.15 -4.78 7.72 7.64 -0.96 -5.11 113.62 119.11 3kbp n SER 254 Ca 0.19 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 3kbp n SER 254 Cb 0.63 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.76 3kbp n SER 254 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 255 N -2.00 3.59 -0.02 -0.43 0.00 -1.26 -4.99 121.76 116.65 3kbp s ALA 255 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3kbp s ALA 255 Cb 0.00 -1.61 0.04 0.00 0.00 0.00 0.00 23.12 21.56 3kbp s ALA 255 CO 0.00 0.68 0.89 2.48 0.00 0.00 0.00 175.76 179.81 3kbp n TYR 256 N 1.30 0.00 -0.82 0.00 0.18 -1.26 -4.01 117.16 112.55 3kbp n TYR 256 Ca -0.14 -0.41 -0.34 0.00 1.88 0.00 0.00 57.90 58.90 3kbp n TYR 256 Cb 0.53 -0.05 0.11 0.00 -0.38 0.00 0.00 39.34 39.55 3kbp n TYR 256 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kbp n GLY 257 N -0.47 -2.54 3.67 -7.48 0.00 -1.26 -4.54 105.19 92.57 3kbp n GLY 257 Ca 0.02 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3kbp n GLY 257 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbp s ARG 258 N -3.30 4.25 0.00 1.61 3.52 -1.26 -2.14 118.95 121.63 3kbp s ARG 258 Ca 0.53 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 3kbp s ARG 258 Cb -0.19 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 3kbp s ARG 258 CO 0.70 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 3kbp n GLY 259 N 3.59 2.97 3.73 8.12 0.00 -1.26 -5.06 105.19 117.27 3kbp n GLY 259 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3kbp n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kbp s THR 260 N -2.67 2.86 0.19 2.61 -4.23 -0.91 -4.69 115.64 108.80 3kbp s THR 260 Ca 0.00 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 3kbp s THR 260 Cb 0.00 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.31 3kbp s THR 260 CO 0.00 -0.36 1.81 -0.65 -0.54 0.00 0.00 174.62 174.88 3kbp h PRO 261 N -1.44 0.63 -0.16 3.99 0.11 -1.88 0.12 132.00 133.37 3kbp h PRO 261 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kbp h PRO 261 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3kbp h PRO 261 CO 0.50 0.41 0.07 0.37 -0.21 0.00 0.00 178.00 179.14 3kbp h GLN 262 N 0.65 0.24 -0.10 1.05 4.15 -1.92 0.63 115.11 119.81 3kbp h GLN 262 Ca 0.25 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3kbp h GLN 262 Cb 0.10 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3kbp h GLN 262 CO -0.14 0.32 -0.28 -0.92 -1.93 0.00 0.00 178.83 175.88 3kbp h TYR 263 N 0.11 -0.75 -0.35 3.99 5.03 -1.65 0.18 116.97 123.54 3kbp h TYR 263 Ca 0.05 0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.46 3kbp h TYR 263 Cb 0.16 0.34 -0.06 0.00 1.55 0.00 0.00 36.73 38.73 3kbp h TYR 263 CO -0.02 -0.36 -0.01 1.15 -1.32 0.00 0.00 178.16 177.61 3kbp h THR 264 N -0.36 0.73 0.44 1.81 2.02 -0.55 -2.43 112.91 114.57 3kbp h THR 264 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 3kbp h THR 264 Cb 0.50 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3kbp h THR 264 CO -0.31 0.02 -0.21 -0.25 0.37 0.00 0.00 175.52 175.14 3kbp h TRP 265 N 0.09 -0.55 -0.86 3.16 7.01 -0.32 -2.99 115.95 121.48 3kbp h TRP 265 Ca 0.17 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.33 3kbp h TRP 265 Cb 0.24 0.18 -0.11 0.00 -2.10 0.00 0.00 29.16 27.37 3kbp h TRP 265 CO -0.25 -0.31 0.41 1.25 -2.79 0.00 0.00 178.44 176.75 3kbp h LEU 266 N -0.64 0.44 0.37 0.65 5.85 -0.76 0.98 115.31 122.20 3kbp h LEU 266 Ca -0.06 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kbp h LEU 266 Cb 0.48 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3kbp h LEU 266 CO 0.10 0.12 -0.27 0.50 -0.34 0.00 0.00 178.44 178.56 3kbp h LYS 267 N 0.52 -0.59 -0.65 1.25 3.64 -1.37 -0.89 116.57 118.48 3kbp h LYS 267 Ca 0.50 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 60.04 3kbp h LYS 267 Cb 0.82 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.69 3kbp h LYS 267 CO -0.43 -0.39 0.19 -0.22 -2.27 0.00 0.00 179.45 176.32 3kbp h LYS 268 N -0.61 0.31 -0.61 1.90 1.63 -1.33 -1.97 116.57 115.89 3kbp h LYS 268 Ca -0.05 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3kbp h LYS 268 Cb 0.50 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.01 3kbp h LYS 268 CO 0.03 0.21 0.34 1.49 -3.45 0.00 0.00 179.45 178.06 3kbp h GLU 269 N 0.32 0.62 -0.84 1.90 4.57 -0.66 -1.77 114.58 118.72 3kbp h GLU 269 Ca 0.35 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.59 3kbp h GLU 269 Cb 0.52 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 3kbp h GLU 269 CO -0.40 0.41 0.54 -0.07 -1.18 0.00 0.00 179.01 178.31 3kbp h LEU 270 N 0.64 0.70 -1.35 1.64 3.38 -0.37 0.23 115.31 120.18 3kbp h LEU 270 Ca 0.27 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3kbp h LEU 270 Cb 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kbp h LEU 270 CO -0.16 0.41 -0.16 0.03 0.09 0.00 0.00 178.44 178.65 3kbp h ARG 271 N 0.77 0.00 -0.00 1.13 3.08 -1.19 -2.71 114.38 115.45 3kbp h ARG 271 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3kbp h ARG 271 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3kbp h ARG 271 CO -0.16 0.16 -0.06 1.63 -1.07 0.00 0.00 179.97 180.46 3kbp n LYS 272 N -3.36 0.86 -2.43 0.04 5.02 0.78 -4.88 118.16 114.19 3kbp n LYS 272 Ca -0.00 -0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3kbp n LYS 272 Cb 0.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3kbp n LYS 272 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kbp s VAL 273 N -2.32 3.92 -0.36 -0.18 1.01 -1.02 -5.01 120.40 116.44 3kbp s VAL 273 Ca 0.34 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.78 3kbp s VAL 273 Cb 0.21 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.75 3kbp s VAL 273 CO 0.43 0.16 0.10 -0.54 0.00 0.00 0.00 175.10 175.25 3kbp s LYS 274 N 0.59 1.88 0.60 2.72 1.02 -1.26 -4.97 119.74 120.32 3kbp s LYS 274 Ca 0.56 -1.73 0.38 0.00 0.02 0.00 0.00 55.97 55.20 3kbp s LYS 274 Cb -0.30 -3.34 1.88 0.00 -0.52 0.00 0.00 37.83 35.55 3kbp s LYS 274 CO 0.31 -0.92 2.18 0.00 -0.92 0.00 0.00 175.35 176.00 3kbp h ARG 275 N 7.86 0.00 0.00 1.68 2.47 -1.92 0.32 114.38 124.79 3kbp h ARG 275 Ca -0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3kbp h ARG 275 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 3kbp h ARG 275 CO 0.59 0.02 0.00 0.66 0.56 0.00 0.00 179.97 181.80 3kbp h SER 276 N 0.00 0.00 0.00 7.04 4.64 -1.95 -2.88 113.55 120.40 3kbp h SER 276 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3kbp h SER 276 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3kbp h SER 276 CO 0.00 0.00 -2.12 1.21 -0.87 0.00 0.00 176.83 175.05 3kbp n GLU 277 N -2.70 0.44 -3.83 4.77 2.13 -0.14 -4.57 120.64 116.75 3kbp n GLU 277 Ca 0.03 0.17 -0.30 0.00 0.66 0.00 0.00 57.16 57.72 3kbp n GLU 277 Cb 0.35 -1.25 -0.14 0.00 0.27 0.00 0.00 31.44 30.68 3kbp n GLU 277 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kbp s THR 278 N -2.37 1.91 0.29 6.31 -4.23 0.96 -3.36 115.64 115.15 3kbp s THR 278 Ca -0.28 -2.79 0.03 0.00 -1.18 0.00 0.00 61.69 57.47 3kbp s THR 278 Cb 0.10 -2.34 0.29 0.00 1.34 0.00 0.00 72.50 71.89 3kbp s THR 278 CO 0.37 -0.83 1.81 1.55 -0.54 0.00 0.00 174.62 176.99 3kbp h PRO 279 N 6.76 0.89 -5.53 3.99 0.13 -1.24 -3.38 132.00 133.62 3kbp h PRO 279 Ca -0.05 -0.05 -0.62 0.00 -0.87 0.00 0.00 66.00 64.41 3kbp h PRO 279 Cb 0.92 -0.20 -0.12 0.00 0.13 0.00 0.00 31.00 31.73 3kbp h PRO 279 CO 0.57 0.59 0.18 -1.58 -0.23 0.00 0.00 178.00 177.52 3kbp s TRP 280 N -5.92 3.19 -0.41 1.56 0.52 -1.05 -4.84 118.94 111.99 3kbp s TRP 280 Ca -0.12 0.55 -0.10 0.00 0.02 0.00 0.00 56.10 56.46 3kbp s TRP 280 Cb 0.23 -3.06 0.07 0.00 -1.15 0.00 0.00 33.47 29.56 3kbp s TRP 280 CO 0.81 -0.53 0.25 -1.17 0.02 0.00 0.00 176.95 176.33 3kbp s LEU 281 N 2.68 5.06 0.00 2.99 2.96 -1.26 0.52 118.68 131.63 3kbp s LEU 281 Ca 0.26 -1.39 0.03 0.00 -0.22 0.00 0.00 54.13 52.82 3kbp s LEU 281 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3kbp s LEU 281 CO 0.13 -0.51 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.94 3kbp s ILE 282 N 1.46 3.54 0.03 6.68 1.01 -0.32 -1.48 121.20 132.12 3kbp s ILE 282 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3kbp s ILE 282 Cb -0.22 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3kbp s ILE 282 CO 0.03 0.41 -0.23 -0.69 0.00 0.00 0.00 174.94 174.46 3kbp s VAL 283 N -0.97 1.87 0.09 2.92 1.01 -0.96 -1.77 120.40 122.60 3kbp s VAL 283 Ca 0.16 -1.20 0.10 0.00 0.00 0.00 0.00 61.98 61.04 3kbp s VAL 283 Cb -0.11 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3kbp s VAL 283 CO 0.07 0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 174.51 3kbp s LEU 284 N -1.00 2.26 -0.02 3.92 1.43 0.11 -1.93 118.68 123.46 3kbp s LEU 284 Ca 0.09 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 3kbp s LEU 284 Cb -0.09 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 45.06 3kbp s LEU 284 CO 0.01 0.19 0.94 0.00 0.23 0.00 0.00 176.35 177.72 3kbp s MET 285 N -1.71 0.78 -0.08 1.70 0.23 -1.05 -1.57 119.30 117.60 3kbp s MET 285 Ca 0.12 -0.30 -0.04 0.00 -1.03 0.00 0.00 55.69 54.43 3kbp s MET 285 Cb -0.10 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.54 3kbp s MET 285 CO 0.04 -0.34 -0.08 1.25 -2.03 0.00 0.00 175.02 173.86 3kbp h HIS 286 N 2.00 0.00 -3.13 3.16 2.76 -1.82 -3.31 115.15 114.81 3kbp h HIS 286 Ca -0.21 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.41 3kbp h HIS 286 Cb 1.23 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 3kbp h HIS 286 CO 0.27 0.00 0.67 0.45 -1.30 0.00 0.00 177.93 178.02 3kbp s SER 287 N -4.85 7.10 0.19 3.26 0.15 -1.26 -0.57 113.70 117.71 3kbp s SER 287 Ca -0.07 1.74 -0.30 0.00 0.70 0.00 0.00 55.95 58.03 3kbp s SER 287 Cb 0.01 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 3kbp s SER 287 CO 0.10 -0.55 1.05 -2.16 1.20 0.00 0.00 173.24 172.88 3kbp s PRO 288 N 2.18 4.66 0.12 5.44 0.04 -1.26 -4.84 135.00 141.34 3kbp s PRO 288 Ca 0.54 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 3kbp s PRO 288 Cb -0.23 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 3kbp s PRO 288 CO 0.21 0.18 1.41 -0.07 0.04 0.00 0.00 177.00 178.77 3kbp h LEU 289 N 4.90 0.98 -8.14 -3.56 3.38 -1.95 -3.28 115.31 107.64 3kbp h LEU 289 Ca -0.44 -0.52 -0.67 0.00 0.09 0.00 0.00 57.88 56.33 3kbp h LEU 289 Cb 1.21 -0.28 -0.32 0.00 0.09 0.00 0.00 40.66 41.36 3kbp h LEU 289 CO 0.71 1.31 -0.73 -0.31 0.09 0.00 0.00 178.44 179.51 3kbp s TYR 290 N -4.17 3.10 -0.16 1.13 2.02 -1.26 -4.58 117.35 113.44 3kbp s TYR 290 Ca -0.11 -1.59 -0.08 0.00 -0.37 0.00 0.00 57.07 54.92 3kbp s TYR 290 Cb 0.10 -2.07 0.06 0.00 -0.40 0.00 0.00 41.96 39.65 3kbp s TYR 290 CO 0.89 -0.74 0.37 1.21 -1.57 0.00 0.00 175.55 175.71 3kbp s ASN 291 N 1.32 -0.39 -0.04 2.29 3.04 -1.26 -4.94 114.94 114.96 3kbp s ASN 291 Ca -0.01 0.81 0.14 0.00 0.04 0.00 0.00 52.86 53.85 3kbp s ASN 291 Cb -0.17 0.76 0.43 0.00 -1.54 0.00 0.00 41.25 40.73 3kbp s ASN 291 CO -0.04 -0.20 1.36 -1.54 -3.04 0.00 0.00 177.10 173.65 3kbp n SER 292 N 4.45 3.42 -4.95 -4.21 3.41 -1.26 -4.59 113.62 109.89 3kbp n SER 292 Ca -0.21 -2.22 -0.24 0.00 -0.26 0.00 0.00 58.87 55.95 3kbp n SER 292 Cb 0.54 -0.35 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3kbp n SER 292 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kbp s TYR 293 N -1.40 3.10 0.08 7.33 1.51 -1.26 -0.84 117.35 125.86 3kbp s TYR 293 Ca 0.33 0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 56.59 3kbp s TYR 293 Cb 0.20 -2.62 -0.26 0.00 -0.11 0.00 0.00 41.96 39.17 3kbp s TYR 293 CO 0.18 -0.71 1.15 -0.91 -1.11 0.00 0.00 175.55 174.15 3kbp h ASN 294 N 0.08 0.57 -2.63 2.29 2.35 -1.57 -3.33 115.58 113.34 3kbp h ASN 294 Ca -0.45 -0.57 -0.54 0.00 -0.55 0.00 0.00 56.30 54.19 3kbp h ASN 294 Cb 1.27 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3kbp h ASN 294 CO 0.57 1.42 1.06 -2.28 -1.65 0.00 0.00 177.43 176.55 3kbp s HIS 295 N -2.82 2.08 -1.25 1.19 2.46 -1.26 -2.01 115.29 113.68 3kbp s HIS 295 Ca -0.06 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.70 3kbp s HIS 295 Cb 0.07 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 3kbp s HIS 295 CO 0.90 -3.85 0.00 0.72 -2.47 0.00 0.00 174.74 170.04 3kbp n HIS 296 N 6.74 0.00 -1.69 3.88 8.25 -1.26 -4.89 115.22 126.25 3kbp n HIS 296 Ca 0.17 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.18 3kbp n HIS 296 Cb 0.42 -2.35 -0.04 0.00 1.12 0.00 0.00 29.99 29.15 3kbp n HIS 296 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kbp n PHE 297 N -2.53 2.45 -1.71 4.41 7.35 -0.85 -2.50 117.46 124.08 3kbp n PHE 297 Ca -0.12 0.15 -0.12 0.00 -0.76 0.00 0.00 57.45 56.60 3kbp n PHE 297 Cb 0.45 -2.60 -0.03 0.00 0.35 0.00 0.00 39.48 37.65 3kbp n PHE 297 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 3kbp n MET 298 N 3.92 -0.90 0.11 -4.13 2.81 -1.26 -4.91 117.12 112.77 3kbp n MET 298 Ca 0.17 0.79 -0.19 0.00 -1.81 0.00 0.00 57.70 56.66 3kbp n MET 298 Cb 0.31 -4.87 -0.14 0.00 -0.71 0.00 0.00 33.22 27.81 3kbp n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kbp h GLU 299 N 0.00 0.37 0.00 0.03 5.08 -1.78 -3.23 114.58 115.05 3kbp h GLU 299 Ca -0.27 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 3kbp h GLU 299 Cb 0.97 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kbp h GLU 299 CO 0.36 1.29 0.00 0.41 -1.00 0.00 0.00 179.01 180.06 3kbp n GLY 300 N 1.54 -0.59 0.45 -3.84 0.00 -1.24 -3.49 105.19 98.02 3kbp n GLY 300 Ca -0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3kbp n GLY 300 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbp h GLU 301 N 0.00 -0.48 0.13 1.61 4.39 -1.80 0.25 114.58 118.67 3kbp h GLU 301 Ca 0.00 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3kbp h GLU 301 Cb 0.07 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3kbp h GLU 301 CO 0.00 -0.32 -0.43 0.00 -1.16 0.00 0.00 179.01 177.10 3kbp h ALA 302 N -0.08 -0.93 -0.04 3.43 0.00 -1.84 0.14 119.26 119.92 3kbp h ALA 302 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kbp h ALA 302 Cb 0.65 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kbp h ALA 302 CO -0.48 -1.03 0.07 1.98 0.00 0.00 0.00 179.25 179.79 3kbp h MET 303 N -0.63 0.00 -0.02 0.00 1.85 -1.77 -0.40 114.93 113.96 3kbp h MET 303 Ca -0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 3kbp h MET 303 Cb 0.63 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.66 3kbp h MET 303 CO -0.22 0.00 -0.01 -0.09 -0.40 0.00 0.00 176.91 176.19 3kbp h ARG 304 N 0.00 0.04 0.00 0.39 2.43 0.17 -0.96 114.38 116.44 3kbp h ARG 304 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kbp h ARG 304 Cb 0.16 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3kbp h ARG 304 CO -0.00 0.49 0.08 0.25 -1.51 0.00 0.00 179.97 179.28 3kbp n THR 305 N -4.84 1.21 -0.09 0.20 -2.24 0.25 -1.93 114.28 106.85 3kbp n THR 305 Ca -0.08 0.65 -0.11 0.00 -2.27 0.00 0.00 64.05 62.25 3kbp n THR 305 Cb 0.25 -1.65 -0.10 0.00 -2.10 0.00 0.00 70.33 66.72 3kbp n THR 305 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kbp n LYS 306 N -1.92 0.94 -0.00 -0.78 4.01 -1.04 -4.83 118.16 114.54 3kbp n LYS 306 Ca -0.01 0.06 0.04 0.00 -0.51 0.00 0.00 58.31 57.89 3kbp n LYS 306 Cb 0.10 -1.38 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 3kbp n LYS 306 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3kbp n PHE 307 N -2.84 0.00 -0.01 2.13 3.72 -0.39 -4.74 117.46 115.33 3kbp n PHE 307 Ca -0.29 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.00 3kbp n PHE 307 Cb 0.90 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 39.38 3kbp n PHE 307 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3kbp h GLU 308 N 0.00 -0.37 -0.64 -1.08 4.81 -1.59 -1.37 114.58 114.34 3kbp h GLU 308 Ca 0.00 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3kbp h GLU 308 Cb 0.20 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.54 3kbp h GLU 308 CO 0.00 -0.25 -0.15 0.00 -0.73 0.00 0.00 179.01 177.88 3kbp h ALA 309 N 0.45 0.43 -0.62 2.92 0.00 -1.85 0.13 119.26 120.72 3kbp h ALA 309 Ca 0.10 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.33 3kbp h ALA 309 Cb 0.54 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3kbp h ALA 309 CO -0.36 -0.42 0.30 -1.49 0.00 0.00 0.00 179.25 177.28 3kbp h TRP 310 N 0.00 0.55 -0.27 0.00 4.06 -1.58 0.49 115.95 119.21 3kbp h TRP 310 Ca 0.31 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.29 3kbp h TRP 310 Cb 0.47 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 3kbp h TRP 310 CO -0.52 0.23 0.18 0.74 -3.56 0.00 0.00 178.44 175.51 3kbp h PHE 311 N 0.56 0.34 0.02 0.49 0.04 -0.14 0.17 116.94 118.42 3kbp h PHE 311 Ca 0.29 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3kbp h PHE 311 Cb 0.26 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3kbp h PHE 311 CO -0.11 0.21 -0.01 0.28 -0.60 0.00 0.00 178.31 178.08 3kbp h VAL 312 N 0.36 1.11 -0.93 -0.55 2.07 -0.34 0.08 116.25 118.05 3kbp h VAL 312 Ca 0.10 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 67.35 3kbp h VAL 312 Cb -0.04 1.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 3kbp h VAL 312 CO -0.02 0.10 0.55 0.50 0.02 0.00 0.00 177.57 178.72 3kbp h LYS 313 N -0.21 0.78 -0.18 1.57 3.64 0.36 -0.63 116.57 121.90 3kbp h LYS 313 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kbp h LYS 313 Cb 0.19 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kbp h LYS 313 CO 0.01 0.52 0.00 0.66 -2.27 0.00 0.00 179.45 178.36 3kbp n TYR 314 N -4.74 0.22 -3.51 1.91 4.02 0.58 -4.96 117.16 110.67 3kbp n TYR 314 Ca 0.19 -0.11 -0.18 0.00 -0.01 0.00 0.00 57.90 57.78 3kbp n TYR 314 Cb 0.42 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.81 3kbp n TYR 314 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3kbp n LYS 315 N 0.77 -5.83 -2.05 -0.72 5.02 -0.09 -4.92 118.16 110.33 3kbp n LYS 315 Ca 0.17 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 3kbp n LYS 315 Cb 0.45 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 3kbp n LYS 315 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kbp s VAL 316 N -3.46 2.68 0.00 -0.18 -7.23 -0.55 -4.72 120.40 106.94 3kbp s VAL 316 Ca 0.02 0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 60.63 3kbp s VAL 316 Cb -0.00 -3.39 -0.10 0.00 0.56 0.00 0.00 36.38 33.44 3kbp s VAL 316 CO 0.76 0.12 0.94 0.44 -0.31 0.00 0.00 175.10 177.05 3kbp h ASP 317 N 4.31 -0.57 -3.06 4.85 3.32 -1.62 -3.18 116.42 120.49 3kbp h ASP 317 Ca -0.47 0.02 -0.48 0.00 0.02 0.00 0.00 57.03 56.12 3kbp h ASP 317 Cb 1.22 0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.78 3kbp h ASP 317 CO 0.72 -0.28 -0.68 -0.69 -1.72 0.00 0.00 179.24 176.59 3kbp s VAL 318 N -3.92 1.60 -0.16 -1.35 1.01 -1.24 -1.47 120.40 114.87 3kbp s VAL 318 Ca -0.10 -2.13 -0.04 0.00 0.00 0.00 0.00 61.98 59.71 3kbp s VAL 318 Cb 0.01 -2.38 0.07 0.00 0.00 0.00 0.00 36.38 34.08 3kbp s VAL 318 CO 0.29 -0.35 0.16 -0.69 0.00 0.00 0.00 175.10 174.52 3kbp s VAL 319 N -3.04 -0.23 -0.05 2.92 1.01 -0.93 -2.27 120.40 117.82 3kbp s VAL 319 Ca 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3kbp s VAL 319 Cb 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3kbp s VAL 319 CO 0.11 -0.13 0.13 -0.36 0.00 0.00 0.00 175.10 174.85 3kbp s PHE 320 N 2.25 3.47 0.34 5.22 0.08 -0.81 -1.45 117.98 127.08 3kbp s PHE 320 Ca 0.04 0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.50 3kbp s PHE 320 Cb -0.15 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3kbp s PHE 320 CO -0.09 0.64 0.34 0.00 -0.10 0.00 0.00 175.22 176.01 3kbp s ALA 321 N -1.17 1.55 0.00 5.36 0.00 -0.91 -2.51 121.76 124.07 3kbp s ALA 321 Ca 0.22 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.25 3kbp s ALA 321 Cb -0.12 1.38 0.00 0.00 0.00 0.00 0.00 23.12 24.38 3kbp s ALA 321 CO 0.12 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3kbp n GLY 322 N -0.61 5.22 4.27 0.00 0.00 0.26 -0.36 105.19 113.97 3kbp n GLY 322 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kbp n GLY 322 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kbp n HIS 323 N 0.00 0.00 -3.81 1.61 -0.00 -1.23 -4.35 115.22 107.44 3kbp n HIS 323 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3kbp n HIS 323 Cb 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 29.99 29.84 3kbp n HIS 323 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kbp s VAL 324 N -0.11 3.49 -1.16 3.57 1.01 -1.26 -4.95 120.40 121.00 3kbp s VAL 324 Ca 0.00 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.49 3kbp s VAL 324 Cb 0.00 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 3kbp s VAL 324 CO 0.00 -0.17 1.97 1.41 0.00 0.00 0.00 175.10 178.31 3kbp n HIS 325 N 4.74 2.35 -2.92 5.22 -0.00 -1.20 -3.21 115.22 120.20 3kbp n HIS 325 Ca -0.12 -1.21 0.00 0.00 -0.00 0.00 0.00 57.72 56.39 3kbp n HIS 325 Cb 0.44 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.83 3kbp n HIS 325 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kbp n ALA 326 N 15.41 0.00 -2.51 -1.41 0.00 -1.23 0.08 120.51 130.85 3kbp n ALA 326 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.69 3kbp n ALA 326 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 3kbp n ALA 326 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3kbp s TYR 327 N -2.93 1.48 -0.19 0.00 5.04 0.25 -3.36 117.35 117.66 3kbp s TYR 327 Ca 0.00 -0.52 -0.29 0.00 -2.44 0.00 0.00 57.07 53.82 3kbp s TYR 327 Cb 0.00 -0.78 0.12 0.00 0.35 0.00 0.00 41.96 41.65 3kbp s TYR 327 CO 0.00 0.17 0.98 -2.00 -1.34 0.00 0.00 175.55 173.36 3kbp s GLU 328 N -2.57 0.61 0.06 4.97 2.12 -1.16 -1.64 118.70 121.08 3kbp s GLU 328 Ca 0.09 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.76 3kbp s GLU 328 Cb -0.06 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 3kbp s GLU 328 CO 0.04 -0.16 -0.11 0.50 -0.54 0.00 0.00 175.26 174.99 3kbp s ARG 329 N -0.70 0.66 0.35 4.30 3.52 0.10 -1.86 118.95 125.33 3kbp s ARG 329 Ca -0.01 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 3kbp s ARG 329 Cb -0.02 -0.53 -0.06 0.00 -1.56 0.00 0.00 34.95 32.77 3kbp s ARG 329 CO -0.00 0.11 0.05 -1.12 -0.81 0.00 0.00 175.30 173.53 3kbp s SER 330 N -1.67 2.76 0.37 -2.12 0.01 -1.02 0.10 113.70 112.13 3kbp s SER 330 Ca -0.06 -1.40 -0.11 0.00 1.31 0.00 0.00 55.95 55.68 3kbp s SER 330 Cb -0.10 -0.09 -0.07 0.00 0.21 0.00 0.00 66.02 65.97 3kbp s SER 330 CO 0.01 -0.60 0.74 -1.61 0.41 0.00 0.00 173.24 172.19 3kbp s GLU 331 N -3.84 3.82 -0.25 12.44 0.41 0.43 -4.57 118.70 127.13 3kbp s GLU 331 Ca 0.34 0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 55.09 3kbp s GLU 331 Cb 0.08 -2.42 -0.03 0.00 -1.78 0.00 0.00 34.13 29.98 3kbp s GLU 331 CO 0.16 0.03 1.79 1.03 -0.49 0.00 0.00 175.26 177.78 3kbp s ARG 332 N -3.62 3.55 -0.00 1.61 0.52 -1.26 -4.65 118.95 115.09 3kbp s ARG 332 Ca 0.51 1.68 -0.02 0.00 -0.52 0.00 0.00 55.73 57.38 3kbp s ARG 332 Cb -0.10 -4.15 -0.00 0.00 0.52 0.00 0.00 34.95 31.21 3kbp s ARG 332 CO 0.28 -1.60 0.04 0.08 0.02 0.00 0.00 175.30 174.11 3kbp s VAL 333 N 6.24 0.05 0.44 3.52 1.01 -1.25 -1.84 120.40 128.57 3kbp s VAL 333 Ca 0.80 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3kbp s VAL 333 Cb -0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3kbp s VAL 333 CO 0.33 -0.21 0.05 -0.94 0.00 0.00 0.00 175.10 174.33 3kbp s SER 334 N -0.62 3.46 -0.40 3.32 1.04 -0.81 -4.72 113.70 114.97 3kbp s SER 334 Ca -0.07 -1.56 0.05 0.00 0.48 0.00 0.00 55.95 54.85 3kbp s SER 334 Cb -0.04 0.24 0.32 0.00 0.10 0.00 0.00 66.02 66.63 3kbp s SER 334 CO -0.00 -0.76 1.24 -3.20 0.98 0.00 0.00 173.24 171.50 3kbp n ASN 335 N -1.13 -1.84 -1.30 7.02 2.85 -1.26 -2.03 115.26 117.57 3kbp n ASN 335 Ca -0.10 -2.85 -0.08 0.00 -0.11 0.00 0.00 54.58 51.44 3kbp n ASN 335 Cb 0.66 1.55 0.17 0.00 1.24 0.00 0.00 39.78 43.41 3kbp n ASN 335 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 3kbp n ILE 336 N 0.31 2.60 0.14 -1.44 -5.35 -1.26 -4.61 119.36 109.75 3kbp n ILE 336 Ca -0.00 -2.96 0.05 0.00 -0.27 0.00 0.00 62.75 59.57 3kbp n ILE 336 Cb 0.73 -0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 38.10 3kbp n ILE 336 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kbp n ALA 337 N -1.08 2.69 -1.74 -1.28 0.00 -1.26 -5.01 120.51 112.83 3kbp n ALA 337 Ca 0.36 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 3kbp n ALA 337 Cb 1.00 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 3kbp n ALA 337 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kbp n TYR 338 N -1.70 2.76 -2.69 0.00 9.36 -1.14 -4.78 117.16 118.98 3kbp n TYR 338 Ca -0.01 0.29 -0.07 0.00 3.32 0.00 0.00 57.90 61.43 3kbp n TYR 338 Cb 0.25 -2.57 0.03 0.00 -0.63 0.00 0.00 39.34 36.42 3kbp n TYR 338 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kbp n LYS 339 N 2.04 1.35 0.00 2.98 4.76 -1.26 -5.05 118.16 122.98 3kbp n LYS 339 Ca 0.09 -3.35 0.00 0.00 -2.87 0.00 0.00 58.31 52.18 3kbp n LYS 339 Cb 0.36 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3kbp n LYS 339 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3kbp n ILE 340 N -0.20 0.00 1.19 -0.18 2.08 -1.26 -3.57 119.36 117.43 3kbp n ILE 340 Ca 0.10 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.54 3kbp n ILE 340 Cb 0.81 0.00 0.49 0.00 -0.75 0.00 0.00 39.64 40.20 3kbp n ILE 340 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3kbp n THR 341 N 0.00 0.00 1.41 1.39 -2.24 -1.26 -3.99 114.28 109.59 3kbp n THR 341 Ca 0.00 -0.04 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 3kbp n THR 341 Cb 0.00 -0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 3kbp n THR 341 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kbp n ASP 342 N -1.19 0.99 0.00 3.42 5.75 -1.23 -4.92 116.55 119.37 3kbp n ASP 342 Ca 0.10 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3kbp n ASP 342 Cb 0.31 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3kbp n ASP 342 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kbp n GLY 343 N 0.76 0.00 2.13 6.12 0.00 -1.26 -4.83 105.19 108.12 3kbp n GLY 343 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 3kbp n GLY 343 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbp n LEU 344 N 0.00 5.62 -2.84 0.99 4.77 -1.26 -4.57 117.00 119.70 3kbp n LEU 344 Ca 0.00 -3.24 -0.38 0.00 -0.03 0.00 0.00 56.01 52.37 3kbp n LEU 344 Cb 0.00 -1.34 0.03 0.00 -2.33 0.00 0.00 43.42 39.78 3kbp n LEU 344 CO 0.00 1.58 1.30 0.00 -1.33 0.00 0.00 177.39 178.94 3kbp s THR 346 N -5.16 -0.06 0.19 0.00 2.01 -1.26 -5.08 115.64 106.28 3kbp s THR 346 Ca 0.51 0.23 -0.33 0.00 0.31 0.00 0.00 61.69 62.42 3kbp s THR 346 Cb 0.43 -0.09 -0.14 0.00 0.01 0.00 0.00 72.50 72.71 3kbp s THR 346 CO -0.38 0.10 1.42 -2.65 -0.69 0.00 0.00 174.62 172.42 3kbp n PRO 347 N 4.27 1.85 -4.33 4.92 -0.02 -1.26 -4.85 135.00 135.59 3kbp n PRO 347 Ca -0.26 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 3kbp n PRO 347 Cb 0.50 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 3kbp n PRO 347 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kbp s VAL 348 N 0.29 1.76 0.30 -1.45 -7.23 -0.86 -4.89 120.40 108.32 3kbp s VAL 348 Ca 0.74 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 3kbp s VAL 348 Cb -0.72 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3kbp s VAL 348 CO 0.46 -0.38 1.20 -0.75 -0.31 0.00 0.00 175.10 175.32 3kbp s LYS 349 N -2.95 4.50 -0.06 4.82 2.20 -1.26 -1.92 119.74 125.07 3kbp s LYS 349 Ca 0.16 2.00 -0.02 0.00 -0.36 0.00 0.00 55.97 57.75 3kbp s LYS 349 Cb -0.05 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3kbp s LYS 349 CO 0.06 0.02 0.12 0.34 -0.36 0.00 0.00 175.35 175.53 3kbp s ASP 350 N -0.66 0.21 0.00 1.43 -1.08 -0.76 -4.77 116.67 111.04 3kbp s ASP 350 Ca 0.47 0.24 0.28 0.00 -0.52 0.00 0.00 52.55 53.02 3kbp s ASP 350 Cb -0.36 0.14 1.26 0.00 -1.46 0.00 0.00 42.92 42.50 3kbp s ASP 350 CO 0.46 -0.17 1.86 0.00 0.52 0.00 0.00 175.17 177.84 3kbp n GLN 351 N 4.53 1.47 0.00 4.34 1.13 -1.26 -3.07 117.38 124.52 3kbp n GLN 351 Ca -0.20 -0.68 0.11 0.00 -1.94 0.00 0.00 57.00 54.28 3kbp n GLN 351 Cb 0.51 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.34 3kbp n GLN 351 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3kbp n SER 352 N -0.16 0.77 -4.81 1.08 7.64 -1.26 -4.93 113.62 111.94 3kbp n SER 352 Ca 0.20 -0.67 -0.34 0.00 1.01 0.00 0.00 58.87 59.07 3kbp n SER 352 Cb 0.28 0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 64.36 3kbp n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbp s ALA 353 N -3.08 3.18 0.80 -0.43 0.00 -1.17 -4.24 121.76 116.82 3kbp s ALA 353 Ca 0.06 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 3kbp s ALA 353 Cb 0.16 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.30 3kbp s ALA 353 CO 0.84 0.20 1.10 -1.25 0.00 0.00 0.00 175.76 176.65 3kbp s PRO 354 N -2.71 2.06 -0.26 0.00 0.04 -1.20 -4.57 135.00 128.35 3kbp s PRO 354 Ca 0.55 0.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 3kbp s PRO 354 Cb -0.13 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3kbp s PRO 354 CO 0.18 -1.63 0.52 0.08 0.04 0.00 0.00 177.00 176.19 3kbp s VAL 355 N -3.18 5.07 -0.36 -0.36 1.01 -0.54 -4.14 120.40 117.89 3kbp s VAL 355 Ca 0.61 0.89 -0.20 0.00 0.00 0.00 0.00 61.98 63.28 3kbp s VAL 355 Cb -0.14 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3kbp s VAL 355 CO 0.54 0.08 0.64 -0.31 0.00 0.00 0.00 175.10 176.05 3kbp s TYR 356 N 2.31 3.15 0.00 5.22 1.51 -1.26 -2.18 117.35 126.10 3kbp s TYR 356 Ca 0.21 0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.65 3kbp s TYR 356 Cb -0.16 -3.14 -0.03 0.00 -0.11 0.00 0.00 41.96 38.52 3kbp s TYR 356 CO 0.09 -0.63 -0.07 0.42 -1.11 0.00 0.00 175.55 174.25 3kbp s ILE 357 N 2.71 3.62 -0.11 2.71 1.01 -0.53 -2.44 121.20 128.18 3kbp s ILE 357 Ca 0.24 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3kbp s ILE 357 Cb -0.14 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.77 3kbp s ILE 357 CO 0.15 0.40 -0.14 0.42 0.00 0.00 0.00 174.94 175.77 3kbp s THR 358 N -0.98 1.43 -0.35 2.92 -4.23 -0.78 -2.15 115.64 111.49 3kbp s THR 358 Ca 0.17 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 60.19 3kbp s THR 358 Cb -0.11 -1.32 0.45 0.00 1.34 0.00 0.00 72.50 72.86 3kbp s THR 358 CO 0.07 0.43 1.10 2.30 -0.54 0.00 0.00 174.62 177.98 3kbp n ILE 359 N 4.32 2.02 -0.04 2.99 -0.00 0.51 -3.00 119.36 126.17 3kbp n ILE 359 Ca -0.18 -4.13 -0.04 0.00 -0.00 0.00 0.00 62.75 58.39 3kbp n ILE 359 Cb 0.51 -0.55 0.02 0.00 -0.00 0.00 0.00 39.64 39.62 3kbp n ILE 359 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kbp n GLY 360 N -0.48 2.71 1.46 3.28 0.00 -1.20 -3.53 105.19 107.43 3kbp n GLY 360 Ca 0.31 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3kbp n GLY 360 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kbp n ASP 361 N 0.75 3.64 -0.01 1.61 5.75 -1.24 -3.22 116.55 123.83 3kbp n ASP 361 Ca 0.09 -3.80 0.14 0.00 -0.01 0.00 0.00 54.79 51.21 3kbp n ASP 361 Cb 0.59 -0.56 0.62 0.00 -1.03 0.00 0.00 41.12 40.74 3kbp n ASP 361 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kbp n ALA 362 N -0.98 2.52 0.00 2.12 0.00 -1.07 -0.30 120.51 122.81 3kbp n ALA 362 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3kbp n ALA 362 Cb 0.92 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3kbp n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbp n GLY 363 N 1.42 3.36 7.00 0.00 0.00 -1.24 -3.99 105.19 111.74 3kbp n GLY 363 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kbp n GLY 363 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kbp n ASN 364 N 0.00 0.00 -1.89 1.61 6.94 -0.37 0.76 115.26 122.31 3kbp n ASN 364 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.38 3kbp n ASN 364 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 3kbp n ASN 364 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kbp n TYR 365 N 14.00 1.81 -2.29 -2.53 4.11 -1.26 -3.00 117.16 128.00 3kbp n TYR 365 Ca 0.00 -1.91 -0.09 0.00 -0.00 0.00 0.00 57.90 55.90 3kbp n TYR 365 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 39.34 38.41 3kbp n TYR 365 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3kbp n GLY 366 N -0.02 0.03 3.05 -7.48 0.00 0.23 -4.68 105.19 96.32 3kbp n GLY 366 Ca 0.35 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3kbp n GLY 366 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbp s VAL 367 N -2.55 1.25 -0.05 1.61 1.01 -1.24 -5.07 120.40 115.37 3kbp s VAL 367 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kbp s VAL 367 Cb -0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3kbp s VAL 367 CO 0.04 0.38 0.08 -0.63 0.00 0.00 0.00 175.10 174.97 3kbp s ILE 368 N 0.58 4.81 -0.30 2.22 -1.09 -1.26 -4.86 121.20 121.29 3kbp s ILE 368 Ca -0.14 -0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 57.85 3kbp s ILE 368 Cb -0.16 -3.14 -0.01 0.00 -1.58 0.00 0.00 42.46 37.57 3kbp s ILE 368 CO 0.04 0.47 0.59 -1.81 -1.23 0.00 0.00 174.94 172.99 3kbp s ASP 369 N -1.40 6.45 -0.02 3.58 1.01 0.11 -4.91 116.67 121.50 3kbp s ASP 369 Ca 0.19 0.38 0.06 0.00 0.71 0.00 0.00 52.55 53.89 3kbp s ASP 369 Cb -0.12 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.42 3kbp s ASP 369 CO 0.09 -0.43 0.10 -1.54 0.21 0.00 0.00 175.17 173.60 3kbp n SER 370 N 5.78 3.66 -4.65 0.27 3.41 -1.26 -4.58 113.62 116.24 3kbp n SER 370 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 3kbp n SER 370 Cb 0.49 1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 65.53 3kbp n SER 370 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kbp s ASN 371 N -2.91 6.43 0.37 4.04 -0.87 -1.26 -4.96 114.94 115.77 3kbp s ASN 371 Ca -0.02 2.47 0.08 0.00 -1.57 0.00 0.00 52.86 53.81 3kbp s ASN 371 Cb 0.03 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 3kbp s ASN 371 CO 0.24 -1.10 0.23 -0.04 -2.57 0.00 0.00 177.10 173.86 3kbp s MET 372 N 4.51 2.44 -0.10 -0.60 -1.94 -1.26 -1.62 119.30 120.74 3kbp s MET 372 Ca 0.85 -1.56 -0.23 0.00 -1.71 0.00 0.00 55.69 53.04 3kbp s MET 372 Cb -0.39 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 3kbp s MET 372 CO 0.38 -0.01 0.69 0.42 -0.01 0.00 0.00 175.02 176.49 3kbp s ILE 373 N -2.45 5.04 -0.14 2.53 -1.09 -0.02 -4.65 121.20 120.41 3kbp s ILE 373 Ca 0.41 1.40 -0.00 0.00 -2.23 0.00 0.00 60.65 60.23 3kbp s ILE 373 Cb -0.02 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 3kbp s ILE 373 CO 0.25 0.22 -0.12 -1.58 -1.23 0.00 0.00 174.94 172.47 3kbp s GLN 374 N 1.07 3.40 0.47 2.79 2.00 -1.26 -3.50 119.66 124.62 3kbp s GLN 374 Ca 0.36 -0.68 -0.04 0.00 -2.00 0.00 0.00 55.36 53.00 3kbp s GLN 374 Cb -0.17 -2.66 -0.03 0.00 0.80 0.00 0.00 33.01 30.95 3kbp s GLN 374 CO 0.16 0.19 0.76 -1.25 -0.50 0.00 0.00 175.29 174.65 3kbp s PRO 375 N 0.40 3.45 -0.28 1.67 0.04 -1.26 -5.07 135.00 133.95 3kbp s PRO 375 Ca -0.10 0.07 -0.36 0.00 0.04 0.00 0.00 61.00 60.65 3kbp s PRO 375 Cb -0.16 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.84 3kbp s PRO 375 CO 0.05 -0.20 2.02 0.94 0.04 0.00 0.00 177.00 179.85 3kbp n GLN 376 N -2.21 1.32 -1.17 4.56 7.27 -1.23 -4.90 117.38 121.02 3kbp n GLN 376 Ca 0.00 0.43 -0.31 0.00 0.07 0.00 0.00 57.00 57.19 3kbp n GLN 376 Cb 0.56 -2.42 0.12 0.00 2.41 0.00 0.00 30.24 30.90 3kbp n GLN 376 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3kbp s PRO 377 N 5.17 1.73 0.17 3.69 0.04 -1.26 -4.92 135.00 139.62 3kbp s PRO 377 Ca 1.04 1.08 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 3kbp s PRO 377 Cb -0.87 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 31.92 3kbp s PRO 377 CO 0.53 -1.98 1.61 0.93 0.04 0.00 0.00 177.00 178.13 3kbp h GLU 378 N -1.37 -0.18 -0.79 4.56 3.07 -1.97 -0.92 114.58 116.97 3kbp h GLU 378 Ca -0.46 0.01 0.22 0.00 -0.50 0.00 0.00 59.36 58.63 3kbp h GLU 378 Cb 1.25 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.17 3kbp h GLU 378 CO 0.51 -0.12 0.56 0.10 -1.40 0.00 0.00 179.01 178.66 3kbp h TYR 379 N -0.19 0.13 -3.16 4.33 -0.00 -1.92 -3.40 116.97 112.76 3kbp h TYR 379 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 58.73 58.36 3kbp h TYR 379 Cb 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 36.73 37.14 3kbp h TYR 379 CO -0.52 0.04 0.92 0.45 -0.00 0.00 0.00 178.16 179.05 3kbp s SER 380 N -5.80 6.79 -0.00 0.10 0.15 -0.35 -0.43 113.70 114.16 3kbp s SER 380 Ca -0.06 1.23 0.04 0.00 0.70 0.00 0.00 55.95 57.86 3kbp s SER 380 Cb 0.21 -2.54 -0.24 0.00 -1.71 0.00 0.00 66.02 61.74 3kbp s SER 380 CO 0.76 -0.97 0.83 0.00 1.20 0.00 0.00 173.24 175.06 3kbp h ALA 381 N 8.75 0.49 -1.51 5.45 0.00 -0.56 -3.45 119.26 128.42 3kbp h ALA 381 Ca -0.24 -1.23 0.12 0.00 0.00 0.00 0.00 54.91 53.55 3kbp h ALA 381 Cb 1.09 0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.91 3kbp h ALA 381 CO 1.02 1.35 0.41 0.12 0.00 0.00 0.00 179.25 182.15 3kbp s PHE 382 N -2.62 -0.54 -0.01 0.00 5.36 -0.92 -4.96 117.98 114.29 3kbp s PHE 382 Ca -0.06 1.09 -0.04 0.00 -0.96 0.00 0.00 56.93 56.95 3kbp s PHE 382 Cb 0.08 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 3kbp s PHE 382 CO 0.83 -0.27 0.08 -0.98 -1.46 0.00 0.00 175.22 173.42 3kbp s ARG 383 N 1.26 0.28 -0.20 10.12 1.70 -1.26 0.02 118.95 130.87 3kbp s ARG 383 Ca -0.08 -0.21 -0.18 0.00 -0.47 0.00 0.00 55.73 54.79 3kbp s ARG 383 Cb -0.04 0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.51 3kbp s ARG 383 CO -0.14 -0.06 0.53 -2.00 -1.08 0.00 0.00 175.30 172.56 3kbp s GLU 384 N -0.76 0.62 -1.20 3.89 2.12 -0.65 -4.97 118.70 117.74 3kbp s GLU 384 Ca -0.08 0.75 -0.09 0.00 0.36 0.00 0.00 54.97 55.91 3kbp s GLU 384 Cb -0.05 0.29 0.21 0.00 0.26 0.00 0.00 34.13 34.84 3kbp s GLU 384 CO 0.00 -0.08 1.59 0.00 -0.54 0.00 0.00 175.26 176.23 3kbp n ALA 385 N 2.88 4.78 -2.26 6.30 0.00 -1.26 -0.58 120.51 130.37 3kbp n ALA 385 Ca -0.14 -4.44 -0.14 0.00 0.00 0.00 0.00 53.44 48.72 3kbp n ALA 385 Cb 0.56 -2.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 3kbp n ALA 385 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kbp s SER 386 N 0.94 1.54 0.18 0.00 0.01 -1.26 -4.96 113.70 110.15 3kbp s SER 386 Ca 0.38 -1.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 3kbp s SER 386 Cb 0.03 0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.24 3kbp s SER 386 CO 0.01 -0.48 0.60 -0.36 0.41 0.00 0.00 173.24 173.43 3kbp s PHE 387 N -3.50 3.58 -1.00 2.43 0.08 -1.26 -4.55 117.98 113.76 3kbp s PHE 387 Ca 0.22 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.40 3kbp s PHE 387 Cb 0.05 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 3kbp s PHE 387 CO 0.03 0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 3kbp n GLY 388 N 0.62 -1.39 1.62 4.36 0.00 0.59 -1.11 105.19 109.88 3kbp n GLY 388 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3kbp n GLY 388 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kbp n HIS 389 N 0.48 -0.00 -4.13 1.61 1.44 -1.22 -3.47 115.22 109.92 3kbp n HIS 389 Ca 0.00 -1.28 -0.11 0.00 -2.01 0.00 0.00 57.72 54.32 3kbp n HIS 389 Cb 0.00 0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.04 3kbp n HIS 389 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3kbp s GLY 390 N -2.20 1.06 -0.00 -1.39 0.00 0.03 -2.94 107.32 101.87 3kbp s GLY 390 Ca 0.11 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.42 3kbp s GLY 390 CO 0.08 -1.23 -0.02 1.06 0.00 0.00 0.00 173.10 172.99 3kbp s MET 391 N -4.08 0.21 -0.40 2.90 -1.94 -1.02 -0.47 119.30 114.49 3kbp s MET 391 Ca 0.29 -0.07 0.02 0.00 -1.71 0.00 0.00 55.69 54.22 3kbp s MET 391 Cb 0.06 -0.22 0.12 0.00 2.01 0.00 0.00 34.83 36.80 3kbp s MET 391 CO 0.06 0.04 0.16 0.12 -0.01 0.00 0.00 175.02 175.40 3kbp s PHE 392 N 0.03 2.66 -0.58 -0.03 2.19 0.16 -1.14 117.98 121.27 3kbp s PHE 392 Ca 0.00 -2.60 -0.22 0.00 0.33 0.00 0.00 56.93 54.44 3kbp s PHE 392 Cb -0.02 -2.34 0.06 0.00 -1.31 0.00 0.00 43.02 39.42 3kbp s PHE 392 CO -0.00 -0.84 0.83 0.34 1.83 0.00 0.00 175.22 177.38 3kbp s ASP 393 N 0.61 6.23 -0.06 6.13 -1.08 -0.32 -2.18 116.67 126.01 3kbp s ASP 393 Ca 0.14 -0.87 -0.30 0.00 -0.52 0.00 0.00 52.55 51.01 3kbp s ASP 393 Cb -0.22 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.84 3kbp s ASP 393 CO -0.07 -1.19 1.14 -0.63 0.52 0.00 0.00 175.17 174.94 3kbp s ILE 394 N 3.45 4.40 -0.02 4.11 1.01 0.80 -0.44 121.20 134.51 3kbp s ILE 394 Ca 0.21 1.71 -0.02 0.00 0.00 0.00 0.00 60.65 62.54 3kbp s ILE 394 Cb -0.17 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 3kbp s ILE 394 CO 0.12 0.01 -0.05 0.29 0.00 0.00 0.00 174.94 175.32 3kbp n LYS 395 N 5.02 0.07 -0.62 2.79 4.76 0.88 -2.41 118.16 128.64 3kbp n LYS 395 Ca 0.10 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 3kbp n LYS 395 Cb 0.47 -0.56 0.00 0.00 -1.84 0.00 0.00 35.03 33.10 3kbp n LYS 395 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kbp n ASN 396 N -2.78 1.95 -0.09 4.39 3.02 -0.42 -4.24 115.26 117.08 3kbp n ASN 396 Ca -0.02 -0.32 0.14 0.00 -0.03 0.00 0.00 54.58 54.36 3kbp n ASN 396 Cb 0.07 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 39.85 3kbp n ASN 396 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3kbp n ARG 397 N -0.01 0.59 -0.03 3.52 1.85 -1.25 -3.68 116.66 117.64 3kbp n ARG 397 Ca 0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 57.85 56.63 3kbp n ARG 397 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 3kbp n ARG 397 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kbp n THR 398 N -1.05 0.46 -5.08 8.89 -2.24 -1.26 -4.63 114.28 109.37 3kbp n THR 398 Ca 0.14 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 3kbp n THR 398 Cb 0.28 -0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 67.54 3kbp n THR 398 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kbp s HIS 399 N -2.16 2.41 -0.20 4.78 3.76 -1.24 -1.08 115.29 121.55 3kbp s HIS 399 Ca -0.03 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 3kbp s HIS 399 Cb 0.02 -1.49 0.06 0.00 1.11 0.00 0.00 32.58 32.28 3kbp s HIS 399 CO 0.27 0.07 0.51 0.00 -0.85 0.00 0.00 174.74 174.74 3kbp s ALA 400 N -0.71 -1.31 -0.28 -1.40 0.00 -1.09 -0.08 121.76 116.89 3kbp s ALA 400 Ca 0.11 1.69 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 3kbp s ALA 400 Cb -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3kbp s ALA 400 CO 0.01 -0.28 -0.02 -1.58 0.00 0.00 0.00 175.76 173.89 3kbp s HIS 401 N 1.00 3.16 0.43 0.00 2.46 0.42 0.59 115.29 123.36 3kbp s HIS 401 Ca -0.06 -1.62 -0.10 0.00 0.47 0.00 0.00 55.06 53.75 3kbp s HIS 401 Cb -0.06 -2.10 -0.06 0.00 -0.13 0.00 0.00 32.58 30.23 3kbp s HIS 401 CO -0.09 -0.74 0.79 0.12 -2.47 0.00 0.00 174.74 172.35 3kbp s PHE 402 N 1.32 3.50 0.08 3.88 5.36 -0.47 -1.18 117.98 130.47 3kbp s PHE 402 Ca -0.02 1.03 -0.13 0.00 -0.96 0.00 0.00 56.93 56.84 3kbp s PHE 402 Cb -0.18 -2.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.08 3kbp s PHE 402 CO -0.02 -0.18 0.31 -1.12 -1.46 0.00 0.00 175.22 172.75 3kbp s SER 403 N -3.39 -0.10 -0.27 6.13 0.01 -0.29 -2.05 113.70 113.73 3kbp s SER 403 Ca 0.51 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 3kbp s SER 403 Cb -0.10 0.39 0.09 0.00 0.21 0.00 0.00 66.02 66.61 3kbp s SER 403 CO 0.35 -0.73 0.12 0.86 0.41 0.00 0.00 173.24 174.25 3kbp s TRP 404 N -3.31 0.42 -0.23 2.43 -0.00 -0.59 -2.43 118.94 115.22 3kbp s TRP 404 Ca 0.00 -0.85 -0.23 0.00 -0.00 0.00 0.00 56.10 55.02 3kbp s TRP 404 Cb 0.02 -0.93 -0.01 0.00 -0.00 0.00 0.00 33.47 32.55 3kbp s TRP 404 CO -0.08 -0.77 0.76 1.21 -0.00 0.00 0.00 176.95 178.06 3kbp s ASN 405 N 2.07 6.77 0.52 5.86 3.84 -1.15 -1.76 114.94 131.09 3kbp s ASN 405 Ca 0.08 0.95 -0.17 0.00 0.21 0.00 0.00 52.86 53.92 3kbp s ASN 405 Cb -0.16 -2.40 -0.07 0.00 -0.55 0.00 0.00 41.25 38.06 3kbp s ASN 405 CO -0.31 -0.44 1.01 -0.13 -2.79 0.00 0.00 177.10 174.44 3kbp s ARG 406 N 2.56 3.81 0.40 0.43 0.52 -1.26 -3.41 118.95 122.00 3kbp s ARG 406 Ca 0.32 1.09 0.18 0.00 -0.52 0.00 0.00 55.73 56.81 3kbp s ARG 406 Cb -0.16 -2.11 0.82 0.00 0.52 0.00 0.00 34.95 34.03 3kbp s ARG 406 CO 0.09 -0.39 1.82 -0.91 0.02 0.00 0.00 175.30 175.92 3kbp h ASN 407 N 1.02 0.00 -0.24 0.23 4.21 -1.50 -2.83 115.58 116.47 3kbp h ASN 407 Ca -0.47 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.88 3kbp h ASN 407 Cb 1.20 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 3kbp h ASN 407 CO 0.60 0.34 -0.43 1.56 -1.29 0.00 0.00 177.43 178.20 3kbp h GLN 408 N 0.00 0.79 -7.37 0.81 7.50 -1.92 -3.45 115.11 111.48 3kbp h GLN 408 Ca -0.00 -0.44 -0.42 0.00 0.50 0.00 0.00 58.65 58.29 3kbp h GLN 408 Cb 0.72 0.02 0.19 0.00 0.05 0.00 0.00 27.48 28.46 3kbp h GLN 408 CO 0.04 1.07 0.13 -0.51 -1.50 0.00 0.00 178.83 178.07 3kbp s ASP 409 N -6.87 1.19 0.46 1.46 1.01 -1.07 -5.02 116.67 107.83 3kbp s ASP 409 Ca -0.10 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 53.87 3kbp s ASP 409 Cb 0.11 -1.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.88 3kbp s ASP 409 CO 0.86 -3.97 0.78 -0.83 0.21 0.00 0.00 175.17 172.22 3kbp s GLY 410 N -3.74 1.58 0.25 0.21 0.00 -1.26 -4.92 107.32 99.43 3kbp s GLY 410 Ca 0.70 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.03 3kbp s GLY 410 CO 0.57 -0.29 1.17 -0.62 0.00 0.00 0.00 173.10 173.92 3kbp n VAL 411 N -2.07 -0.31 -0.07 1.40 0.31 -1.26 -0.69 118.33 115.65 3kbp n VAL 411 Ca 0.01 1.58 0.11 0.00 -0.01 0.00 0.00 64.34 66.02 3kbp n VAL 411 Cb 0.55 -2.41 0.29 0.00 -0.91 0.00 0.00 33.84 31.35 3kbp n VAL 411 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kbp n ALA 412 N -2.94 2.40 -2.56 3.52 0.00 -1.26 -4.58 120.51 115.08 3kbp n ALA 412 Ca 0.22 -1.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 3kbp n ALA 412 Cb 0.73 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 3kbp n ALA 412 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kbp s VAL 413 N -1.13 4.56 -1.19 0.00 1.01 0.14 -4.99 120.40 118.80 3kbp s VAL 413 Ca 0.44 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 3kbp s VAL 413 Cb 0.23 -4.37 0.09 0.00 0.00 0.00 0.00 36.38 32.32 3kbp s VAL 413 CO 0.30 -0.75 1.57 -1.61 0.00 0.00 0.00 175.10 174.60 3kbp s GLU 414 N 3.53 3.89 0.62 2.72 2.02 -1.26 -4.09 118.70 126.13 3kbp s GLU 414 Ca 0.34 -1.90 0.24 0.00 0.02 0.00 0.00 54.97 53.68 3kbp s GLU 414 Cb -0.11 -5.36 1.13 0.00 0.10 0.00 0.00 34.13 29.89 3kbp s GLU 414 CO 0.24 -2.12 1.60 0.00 0.02 0.00 0.00 175.26 175.00 3kbp h ALA 415 N 8.09 2.18 -2.54 5.21 0.00 -1.70 -3.39 119.26 127.10 3kbp h ALA 415 Ca 0.35 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3kbp h ALA 415 Cb 0.91 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.55 3kbp h ALA 415 CO 1.39 -0.96 -0.28 0.34 0.00 0.00 0.00 179.25 179.74 3kbp s ASP 416 N -4.22 -0.15 -0.14 0.00 2.15 -1.14 -4.99 116.67 108.19 3kbp s ASP 416 Ca -0.03 -0.04 -0.23 0.00 0.43 0.00 0.00 52.55 52.68 3kbp s ASP 416 Cb 0.11 0.32 0.06 0.00 -0.30 0.00 0.00 42.92 43.11 3kbp s ASP 416 CO 0.38 -0.50 0.57 -0.55 -0.17 0.00 0.00 175.17 174.90 3kbp s SER 417 N -1.61 -0.56 -0.19 -0.34 0.15 -1.26 -1.55 113.70 108.34 3kbp s SER 417 Ca -0.10 0.87 -0.20 0.00 0.70 0.00 0.00 55.95 57.21 3kbp s SER 417 Cb -0.04 0.86 0.06 0.00 -1.71 0.00 0.00 66.02 65.18 3kbp s SER 417 CO 0.01 -0.37 0.57 -0.69 1.20 0.00 0.00 173.24 173.96 3kbp s VAL 418 N -0.41 0.00 -0.11 4.45 1.01 -0.87 -5.00 120.40 119.47 3kbp s VAL 418 Ca -0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3kbp s VAL 418 Cb -0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3kbp s VAL 418 CO 0.04 -0.01 0.26 0.26 0.00 0.00 0.00 175.10 175.65 3kbp s TRP 419 N 0.13 3.57 -0.21 5.22 0.52 -1.26 -1.37 118.94 125.55 3kbp s TRP 419 Ca -0.01 0.65 -0.08 0.00 0.02 0.00 0.00 56.10 56.68 3kbp s TRP 419 Cb -0.04 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 3kbp s TRP 419 CO 0.02 0.52 0.07 -0.06 0.02 0.00 0.00 176.95 177.52 3kbp s PHE 420 N -0.45 3.20 -0.26 -1.98 0.40 0.20 -4.89 117.98 114.19 3kbp s PHE 420 Ca 0.17 -0.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 3kbp s PHE 420 Cb -0.13 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3kbp s PHE 420 CO 0.06 0.00 0.24 -0.06 0.70 0.00 0.00 175.22 176.16 3kbp s PHE 421 N 0.78 3.26 -0.24 0.36 0.08 -1.26 -2.67 117.98 118.28 3kbp s PHE 421 Ca 0.04 0.24 -0.35 0.00 0.12 0.00 0.00 56.93 56.98 3kbp s PHE 421 Cb -0.13 -2.41 -0.11 0.00 -0.57 0.00 0.00 43.02 39.80 3kbp s PHE 421 CO 0.02 -0.12 2.04 -1.71 -0.10 0.00 0.00 175.22 175.36 3kbp n ASN 422 N 4.91 2.71 0.23 1.36 2.85 -0.24 -4.70 115.26 122.39 3kbp n ASN 422 Ca -0.13 0.65 0.17 0.00 -0.11 0.00 0.00 54.58 55.15 3kbp n ASN 422 Cb 0.52 -1.32 0.73 0.00 1.24 0.00 0.00 39.78 40.95 3kbp n ASN 422 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3kbp h ARG 423 N 11.08 0.00 0.00 1.20 2.47 -1.85 0.49 114.38 127.76 3kbp h ARG 423 Ca -0.38 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.05 3kbp h ARG 423 Cb 1.30 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.56 3kbp h ARG 423 CO 0.98 0.00 -2.25 1.58 0.56 0.00 0.00 179.97 180.85 3kbp n HIS 424 N -3.16 0.09 -0.92 3.04 -0.00 -1.26 -4.45 115.22 108.55 3kbp n HIS 424 Ca 0.02 0.03 0.07 0.00 0.46 0.00 0.00 57.72 58.30 3kbp n HIS 424 Cb 0.54 -0.93 0.10 0.00 -0.12 0.00 0.00 29.99 29.58 3kbp n HIS 424 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3kbp n TRP 425 N -2.69 0.00 0.00 1.57 7.02 -0.60 -4.84 117.44 117.90 3kbp n TRP 425 Ca -0.26 -0.80 0.00 0.00 -1.02 0.00 0.00 57.50 55.42 3kbp n TRP 425 Cb 1.04 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.81 3kbp n TRP 425 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 3kbp n TYR 426 N -1.11 0.00 0.07 -5.99 9.36 0.16 -4.85 117.16 114.80 3kbp n TYR 426 Ca 0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.33 3kbp n TYR 426 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3kbp n TYR 426 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kbp n PRO 427 N 0.00 0.56 -2.54 2.98 -0.04 -1.12 -3.85 135.00 130.98 3kbp n PRO 427 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3kbp n PRO 427 Cb 0.00 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 3kbp n PRO 427 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kbp s VAL 428 N 0.70 3.77 -0.41 0.52 -7.23 -1.26 -4.87 120.40 111.61 3kbp s VAL 428 Ca 0.00 1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 61.04 3kbp s VAL 428 Cb 0.00 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.34 3kbp s VAL 428 CO 0.00 -0.18 2.32 -0.67 -0.31 0.00 0.00 175.10 176.26 3kbp n ASP 429 N -0.73 2.39 0.07 4.85 -0.08 -1.26 -4.78 116.55 117.01 3kbp n ASP 429 Ca 0.08 0.03 0.11 0.00 -1.51 0.00 0.00 54.79 53.50 3kbp n ASP 429 Cb 0.52 -1.43 -0.05 0.00 2.34 0.00 0.00 41.12 42.50 3kbp n ASP 429 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3kbp n ASP 430 N 12.46 0.59 -4.70 1.67 5.68 -1.26 -4.95 116.55 126.03 3kbp n ASP 430 Ca 0.38 0.21 -0.39 0.00 -0.50 0.00 0.00 54.79 54.50 3kbp n ASP 430 Cb 0.38 0.92 0.04 0.00 -1.14 0.00 0.00 41.12 41.33 3kbp n ASP 430 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kbp n SER 431 N -2.53 2.06 -0.45 -1.12 7.64 -1.26 -4.86 113.62 113.10 3kbp n SER 431 Ca -0.01 0.93 0.14 0.00 1.01 0.00 0.00 58.87 60.94 3kbp n SER 431 Cb 0.55 -1.51 0.55 0.00 -1.01 0.00 0.00 64.21 62.80 3kbp n SER 431 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38