#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 6.62 0.12 0.55 1.01 -1.26 -2.28 116.67 121.43 3kbp s ASP 10 Ca 0.00 2.80 -0.31 0.00 0.71 0.00 0.00 52.55 55.75 3kbp s ASP 10 Cb 0.00 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.19 3kbp s ASP 10 CO 0.00 -0.66 1.47 -0.04 0.21 0.00 0.00 175.17 176.15 3kbp s MET 11 N -1.73 4.27 1.11 8.23 -1.94 -0.63 -4.80 119.30 123.81 3kbp s MET 11 Ca 0.51 2.18 -0.12 0.00 -1.71 0.00 0.00 55.69 56.54 3kbp s MET 11 Cb -0.42 -3.28 0.26 0.00 2.01 0.00 0.00 34.83 33.40 3kbp s MET 11 CO 0.55 -0.53 1.05 -1.25 -0.01 0.00 0.00 175.02 174.83 3kbp s PRO 12 N 1.36 -0.52 0.27 2.03 0.04 -1.26 -4.92 135.00 132.00 3kbp s PRO 12 Ca 0.67 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 3kbp s PRO 12 Cb -0.39 -1.60 0.35 0.00 0.04 0.00 0.00 34.50 32.91 3kbp s PRO 12 CO 0.30 -3.47 1.89 -0.07 0.04 0.00 0.00 177.00 175.70 3kbp h LEU 13 N -2.44 0.97 -1.80 -3.56 3.38 -2.01 -2.40 115.31 107.44 3kbp h LEU 13 Ca -0.59 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3kbp h LEU 13 Cb 1.32 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kbp h LEU 13 CO 0.50 0.78 0.00 -2.24 0.09 0.00 0.00 178.44 177.58 3kbp h ASP 14 N 1.08 0.00 -0.74 -0.43 2.03 -1.96 -3.44 116.42 112.96 3kbp h ASP 14 Ca 0.27 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.97 3kbp h ASP 14 Cb 0.04 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.57 3kbp h ASP 14 CO -0.04 0.00 0.18 -1.20 -1.03 0.00 0.00 179.24 177.15 3kbp n SER 15 N -3.00 0.26 -0.17 4.15 7.64 -0.91 -4.73 113.62 116.86 3kbp n SER 15 Ca -0.00 0.87 0.29 0.00 1.01 0.00 0.00 58.87 61.04 3kbp n SER 15 Cb 0.23 -0.68 0.69 0.00 -1.01 0.00 0.00 64.21 63.44 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 2.67 0.00 -0.09 6.43 2.03 -1.90 0.13 116.42 125.68 3kbp h ASP 16 Ca -0.36 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.81 3kbp h ASP 16 Cb 1.05 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 3kbp h ASP 16 CO 0.56 0.00 -0.34 1.62 -1.03 0.00 0.00 179.24 180.04 3kbp h VAL 17 N 0.00 1.29 -0.16 4.15 3.04 -1.95 -2.96 116.25 119.65 3kbp h VAL 17 Ca 0.44 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 3kbp h VAL 17 Cb 2.07 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.80 3kbp h VAL 17 CO -0.00 0.47 0.00 0.49 -1.01 0.00 0.00 177.57 177.52 3kbp n PHE 18 N -4.06 0.22 -1.92 3.17 3.72 0.44 -4.15 117.46 114.87 3kbp n PHE 18 Ca -0.01 -0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 56.87 3kbp n PHE 18 Cb 0.48 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.78 4.21 -0.16 -1.08 0.52 -1.12 -4.95 118.95 114.58 3kbp s ARG 19 Ca 0.14 2.43 -0.21 0.00 -0.52 0.00 0.00 55.73 57.58 3kbp s ARG 19 Cb 0.07 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 3kbp s ARG 19 CO 0.10 -0.40 0.62 0.54 0.02 0.00 0.00 175.30 176.18 3kbp s VAL 20 N -1.09 5.06 0.17 3.52 0.11 -1.26 -5.00 120.40 121.90 3kbp s VAL 20 Ca 0.52 1.20 -0.34 0.00 -2.93 0.00 0.00 61.98 60.43 3kbp s VAL 20 Cb -0.44 -3.94 -0.15 0.00 -1.53 0.00 0.00 36.38 30.32 3kbp s VAL 20 CO 0.59 0.18 1.43 -0.81 -3.33 0.00 0.00 175.10 173.15 3kbp n PRO 21 N 4.55 1.77 -2.27 1.54 -0.04 -1.26 -4.90 135.00 134.40 3kbp n PRO 21 Ca -0.02 0.64 -0.37 0.00 -0.04 0.00 0.00 63.50 63.71 3kbp n PRO 21 Cb 0.50 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 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 0.30 3.68 0.00 0.54 0.04 -1.26 -4.75 135.00 133.56 3kbp s PRO 22 Ca 0.76 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3kbp s PRO 22 Cb -0.75 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3kbp s PRO 22 CO 0.45 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.29 3kbp n GLY 23 N 0.37 3.87 3.68 0.56 0.00 -1.26 -4.85 105.19 107.56 3kbp n GLY 23 Ca 0.08 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.65 3.04 -1.12 1.61 5.04 -1.26 -2.98 117.35 120.04 3kbp s TYR 24 Ca 0.00 1.11 -0.06 0.00 -2.44 0.00 0.00 57.07 55.68 3kbp s TYR 24 Cb 0.00 -3.47 -0.04 0.00 0.35 0.00 0.00 41.96 38.80 3kbp s TYR 24 CO 0.00 -1.53 0.91 -1.71 -1.34 0.00 0.00 175.55 171.88 3kbp n ASN 25 N 5.73 -4.93 -4.64 4.32 4.05 -1.26 -3.54 115.26 114.99 3kbp n ASN 25 Ca 0.12 -0.73 -0.42 0.00 0.45 0.00 0.00 54.58 54.00 3kbp n ASN 25 Cb 0.46 -4.89 -0.05 0.00 1.23 0.00 0.00 39.78 36.53 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 -3.42 3.64 -0.16 5.20 0.00 -1.16 -4.09 121.76 121.78 3kbp s ALA 26 Ca 0.31 -0.19 -0.35 0.00 0.00 0.00 0.00 51.96 51.74 3kbp s ALA 26 Cb -0.05 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 3kbp s ALA 26 CO 0.76 -0.90 1.93 -0.35 0.00 0.00 0.00 175.76 177.20 3kbp n PRO 27 N 5.94 1.89 -4.56 0.00 -0.04 -1.26 -4.68 135.00 132.28 3kbp n PRO 27 Ca 0.04 0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 63.88 3kbp n PRO 27 Cb 0.48 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.26 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 4.44 2.10 -1.49 0.54 -2.07 0.10 -4.77 119.66 118.51 3kbp s GLN 28 Ca 0.96 -2.18 -0.02 0.00 -1.82 0.00 0.00 55.36 52.31 3kbp s GLN 28 Cb -0.74 -1.67 0.01 0.00 -1.09 0.00 0.00 33.01 29.51 3kbp s GLN 28 CO 0.52 -0.21 0.15 1.04 -1.32 0.00 0.00 175.29 175.47 3kbp n GLN 29 N -1.16 -2.56 -1.77 9.60 6.02 -1.26 -0.10 117.38 126.14 3kbp n GLN 29 Ca -0.10 0.83 -0.41 0.00 -0.01 0.00 0.00 57.00 57.31 3kbp n GLN 29 Cb 0.67 -5.52 -0.01 0.00 1.02 0.00 0.00 30.24 26.40 3kbp n GLN 29 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kbp s VAL 30 N -2.93 2.03 -0.28 5.09 1.01 -1.26 -4.45 120.40 119.60 3kbp s VAL 30 Ca 0.09 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 3kbp s VAL 30 Cb -0.04 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.43 3kbp s VAL 30 CO 0.11 0.00 0.83 -1.38 0.00 0.00 0.00 175.10 174.66 3kbp s HIS 31 N -0.45 -0.80 0.38 5.22 -3.43 -0.06 -3.93 115.29 112.23 3kbp s HIS 31 Ca 0.59 1.65 0.08 0.00 -0.80 0.00 0.00 55.06 56.58 3kbp s HIS 31 Cb -0.48 0.47 -0.06 0.00 -1.43 0.00 0.00 32.58 31.09 3kbp s HIS 31 CO 0.54 -0.39 0.10 0.96 -2.00 0.00 0.00 174.74 173.95 3kbp s ILE 32 N 1.28 2.43 0.21 -5.38 -4.36 -0.58 -1.31 121.20 113.49 3kbp s ILE 32 Ca -0.07 -1.83 -0.22 0.00 -0.26 0.00 0.00 60.65 58.26 3kbp s ILE 32 Cb -0.04 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.78 3kbp s ILE 32 CO -0.15 -0.08 0.70 -0.89 0.24 0.00 0.00 174.94 174.76 3kbp s THR 33 N -2.57 0.00 0.13 8.37 2.01 -1.06 -3.58 115.64 118.94 3kbp s THR 33 Ca 0.38 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 3kbp s THR 33 Cb 0.03 -1.58 -0.09 0.00 0.01 0.00 0.00 72.50 70.87 3kbp s THR 33 CO 0.21 0.00 1.53 -1.58 -0.69 0.00 0.00 174.62 174.09 3kbp s GLN 34 N -3.77 4.24 0.03 4.92 0.74 -1.26 -0.12 119.66 124.43 3kbp s GLN 34 Ca 0.07 2.26 0.24 0.00 0.05 0.00 0.00 55.36 57.98 3kbp s GLN 34 Cb -0.04 -3.26 0.30 0.00 1.10 0.00 0.00 33.01 31.11 3kbp s GLN 34 CO -0.02 -0.58 1.26 0.41 -0.55 0.00 0.00 175.29 175.81 3kbp n GLY 35 N 3.72 -1.23 0.00 2.59 0.00 0.47 -4.20 105.19 106.54 3kbp n GLY 35 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.67 0.75 0.03 1.61 5.68 -1.26 -4.68 116.55 117.01 3kbp n ASP 36 Ca 0.04 -0.52 -0.08 0.00 -0.50 0.00 0.00 54.79 53.73 3kbp n ASP 36 Cb 0.37 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.03 -2.07 -2.12 5.85 -1.90 -3.40 115.31 111.71 3kbp h LEU 37 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kbp h LEU 37 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3kbp h LEU 37 CO 0.00 1.04 0.00 1.33 -0.34 0.00 0.00 178.44 180.47 3kbp n VAL 38 N -3.24 0.52 0.00 1.05 0.24 -1.26 0.05 118.33 115.70 3kbp n VAL 38 Ca -0.08 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 3kbp n VAL 38 Cb 0.99 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 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 -0.13 1.08 2.52 7.63 0.00 -1.26 -4.63 105.19 110.40 3kbp n GLY 39 Ca 0.01 0.00 -0.34 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 -0.46 2.98 -3.56 1.61 1.85 -1.26 -4.43 116.66 113.38 3kbp n ARG 40 Ca 0.00 -3.71 -0.16 0.00 -1.00 0.00 0.00 57.85 52.98 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 -3.84 -1.80 0.08 2.89 0.00 -1.26 -1.23 121.76 116.60 3kbp s ALA 41 Ca 0.55 1.58 0.03 0.00 0.00 0.00 0.00 51.96 54.12 3kbp s ALA 41 Cb 0.45 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3kbp s ALA 41 CO -0.18 -0.35 -0.09 -1.64 0.00 0.00 0.00 175.76 173.50 3kbp s MET 42 N -0.66 0.76 -0.23 0.00 -1.94 -0.22 -0.39 119.30 116.61 3kbp s MET 42 Ca -0.06 -1.05 -0.01 0.00 -1.71 0.00 0.00 55.69 52.85 3kbp s MET 42 Cb -0.02 -0.45 0.02 0.00 2.01 0.00 0.00 34.83 36.39 3kbp s MET 42 CO 0.06 0.07 -0.08 0.42 -0.01 0.00 0.00 175.02 175.48 3kbp s ILE 43 N -2.19 2.81 -0.18 2.53 1.01 0.82 -1.43 121.20 124.56 3kbp s ILE 43 Ca 0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3kbp s ILE 43 Cb -0.04 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3kbp s ILE 43 CO -0.00 0.28 0.23 -0.63 0.00 0.00 0.00 174.94 174.82 3kbp s ILE 44 N 1.34 5.34 -0.02 2.92 -1.09 0.18 -2.57 121.20 127.31 3kbp s ILE 44 Ca 0.02 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 3kbp s ILE 44 Cb -0.16 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 3kbp s ILE 44 CO -0.06 0.39 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.47 3kbp s SER 45 N 0.54 1.62 0.37 3.58 0.01 -0.43 -0.94 113.70 118.45 3kbp s SER 45 Ca 0.13 -0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.06 3kbp s SER 45 Cb -0.12 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.89 3kbp s SER 45 CO 0.02 0.15 0.61 -1.66 0.41 0.00 0.00 173.24 172.77 3kbp s TRP 46 N -0.22 0.71 -0.00 2.43 -2.14 -0.75 -0.88 118.94 118.08 3kbp s TRP 46 Ca 0.03 -1.12 0.03 0.00 2.66 0.00 0.00 56.10 57.71 3kbp s TRP 46 Cb -0.06 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.59 3kbp s TRP 46 CO -0.00 -1.33 -0.11 0.08 -2.66 0.00 0.00 176.95 172.93 3kbp s VAL 47 N -2.69 0.85 -0.04 -0.66 1.01 0.86 -0.30 120.40 119.43 3kbp s VAL 47 Ca 0.25 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3kbp s VAL 47 Cb -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3kbp s VAL 47 CO 0.17 0.20 -0.23 0.42 0.00 0.00 0.00 175.10 175.66 3kbp s THR 48 N -0.33 2.25 -0.08 3.92 -4.23 -0.22 0.02 115.64 116.97 3kbp s THR 48 Ca 0.03 -1.02 0.12 0.00 -1.18 0.00 0.00 61.69 59.65 3kbp s THR 48 Cb -0.05 -1.81 -0.18 0.00 1.34 0.00 0.00 72.50 71.80 3kbp s THR 48 CO -0.00 0.58 0.15 0.23 -0.54 0.00 0.00 174.62 175.03 3kbp n MET 49 N 2.63 1.31 -0.02 3.99 2.81 -1.26 -0.08 117.12 126.50 3kbp n MET 49 Ca -0.17 -0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.56 3kbp n MET 49 Cb 0.52 -1.32 -0.08 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.07 -5.10 7.83 3.32 -1.94 -3.46 116.42 117.00 3kbp h ASP 50 Ca -0.19 -0.54 -0.05 0.00 0.02 0.00 0.00 57.03 56.26 3kbp h ASP 50 Cb 1.28 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.72 3kbp h ASP 50 CO 0.01 0.63 -0.10 -1.83 -1.72 0.00 0.00 179.24 176.24 3kbp s GLU 51 N -2.72 1.11 0.07 3.56 -1.05 -1.26 -5.05 118.70 113.36 3kbp s GLU 51 Ca -0.13 -0.79 -0.13 0.00 -0.15 0.00 0.00 54.97 53.77 3kbp s GLU 51 Cb -0.01 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3kbp s GLU 51 CO 0.49 -0.43 0.83 -2.30 0.95 0.00 0.00 175.26 174.79 3kbp n PRO 52 N -0.23 -0.19 0.00 -4.83 -0.02 -1.26 -4.84 135.00 123.63 3kbp n PRO 52 Ca -0.14 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kbp n PRO 52 Cb 0.63 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 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 -1.11 -1.23 3.78 -1.23 0.00 -1.26 -4.79 105.19 99.35 3kbp n GLY 53 Ca 0.01 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.37 6.61 -0.14 1.61 0.15 -1.26 -4.97 113.70 113.32 3kbp s SER 54 Ca 0.00 0.72 0.05 0.00 0.70 0.00 0.00 55.95 57.42 3kbp s SER 54 Cb 0.00 -2.21 0.35 0.00 -1.71 0.00 0.00 66.02 62.45 3kbp s SER 54 CO 0.00 0.19 1.19 -1.20 1.20 0.00 0.00 173.24 174.62 3kbp n SER 55 N 2.84 3.24 -4.89 5.45 7.64 -1.26 -4.64 113.62 122.00 3kbp n SER 55 Ca -0.12 -2.53 -0.30 0.00 1.01 0.00 0.00 58.87 56.92 3kbp n SER 55 Cb 0.52 -0.61 -0.04 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 -1.71 3.50 -0.05 -0.43 0.00 -1.26 -0.51 121.76 121.30 3kbp s ALA 56 Ca 0.25 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3kbp s ALA 56 Cb 0.20 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3kbp s ALA 56 CO 0.07 0.22 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 3kbp s VAL 57 N -2.12 1.06 -0.17 0.00 1.01 0.20 -4.48 120.40 115.89 3kbp s VAL 57 Ca 0.48 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3kbp s VAL 57 Cb -0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3kbp s VAL 57 CO 0.28 0.33 0.09 -0.60 0.00 0.00 0.00 175.10 175.20 3kbp s ARG 58 N 0.51 3.89 0.09 2.72 3.52 -0.57 -1.03 118.95 128.09 3kbp s ARG 58 Ca -0.11 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.11 3kbp s ARG 58 Cb -0.14 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3kbp s ARG 58 CO 0.03 0.39 0.26 1.52 -0.81 0.00 0.00 175.30 176.69 3kbp s TYR 59 N 0.05 0.02 0.02 5.12 1.13 0.26 -0.13 117.35 123.83 3kbp s TYR 59 Ca 0.07 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.08 3kbp s TYR 59 Cb -0.12 0.04 0.10 0.00 -1.10 0.00 0.00 41.96 40.88 3kbp s TYR 59 CO 0.00 -0.57 0.85 1.67 -2.51 0.00 0.00 175.55 174.99 3kbp s TRP 60 N -3.59 -0.37 0.32 -3.49 -2.14 -0.25 -0.49 118.94 108.93 3kbp s TRP 60 Ca 0.02 0.21 -0.07 0.00 2.66 0.00 0.00 56.10 58.93 3kbp s TRP 60 Cb 0.03 0.55 -0.06 0.00 -3.10 0.00 0.00 33.47 30.89 3kbp s TRP 60 CO -0.10 -0.60 0.62 -1.54 -2.66 0.00 0.00 176.95 172.67 3kbp s SER 61 N -2.53 6.47 0.12 -2.66 1.04 -1.20 -0.34 113.70 114.60 3kbp s SER 61 Ca 0.05 0.84 -0.20 0.00 0.48 0.00 0.00 55.95 57.11 3kbp s SER 61 Cb -0.01 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 3kbp s SER 61 CO -0.09 -0.26 1.72 -0.08 0.98 0.00 0.00 173.24 175.51 3kbp h GLU 62 N 1.56 0.02 0.00 4.02 4.81 -1.88 -3.17 114.58 119.94 3kbp h GLU 62 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kbp h GLU 62 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3kbp h GLU 62 CO 0.65 0.01 0.00 0.36 -0.73 0.00 0.00 179.01 179.31 3kbp n LYS 63 N -5.16 0.00 -2.86 1.92 2.85 -1.26 -4.22 118.16 109.44 3kbp n LYS 63 Ca -0.03 0.30 -0.43 0.00 -1.05 0.00 0.00 58.31 57.09 3kbp n LYS 63 Cb 0.10 -1.26 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.01 6.55 0.00 -5.58 3.84 -1.24 -4.89 114.94 111.61 3kbp s ASN 64 Ca 0.00 -1.82 0.00 0.00 0.21 0.00 0.00 52.86 51.25 3kbp s ASN 64 Cb 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3kbp s ASN 64 CO 0.00 -1.18 0.34 0.61 -2.79 0.00 0.00 177.10 174.08 3kbp n GLY 65 N 5.69 0.70 3.61 1.21 0.00 -1.20 -3.22 105.19 111.99 3kbp n GLY 65 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 0.47 3.65 -0.03 1.61 3.52 -1.26 -4.90 118.95 122.00 3kbp s ARG 66 Ca 0.00 1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 56.42 3kbp s ARG 66 Cb 0.00 -4.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 3kbp s ARG 66 CO 0.00 -1.47 1.01 0.15 -0.81 0.00 0.00 175.30 174.18 3kbp s LYS 67 N 4.81 4.50 0.29 5.12 1.02 -1.26 -4.51 119.74 129.70 3kbp s LYS 67 Ca 0.63 1.45 0.09 0.00 0.02 0.00 0.00 55.97 58.15 3kbp s LYS 67 Cb -0.16 -3.49 -0.06 0.00 -0.52 0.00 0.00 37.83 33.61 3kbp s LYS 67 CO 0.30 -0.17 -0.11 1.03 -0.92 0.00 0.00 175.35 175.48 3kbp s ARG 68 N 1.41 1.62 -0.05 1.68 0.52 0.35 -4.94 118.95 119.55 3kbp s ARG 68 Ca 0.51 -1.80 0.04 0.00 -0.52 0.00 0.00 55.73 53.96 3kbp s ARG 68 Cb -0.21 -1.43 -0.00 0.00 0.52 0.00 0.00 34.95 33.83 3kbp s ARG 68 CO 0.24 0.14 -0.17 0.42 0.02 0.00 0.00 175.30 175.95 3kbp s ILE 69 N -2.79 1.45 -0.06 1.52 1.01 -1.26 -0.57 121.20 120.50 3kbp s ILE 69 Ca 0.30 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.28 3kbp s ILE 69 Cb 0.01 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3kbp s ILE 69 CO 0.13 0.42 -0.24 0.00 0.00 0.00 0.00 174.94 175.25 3kbp s ALA 70 N 0.10 2.23 -0.13 9.38 0.00 -0.20 -4.93 121.76 128.22 3kbp s ALA 70 Ca -0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3kbp s ALA 70 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3kbp s ALA 70 CO 0.03 0.43 -0.02 0.21 0.00 0.00 0.00 175.76 176.41 3kbp s LYS 71 N -0.22 3.41 0.00 0.00 2.36 -1.26 0.61 119.74 124.64 3kbp s LYS 71 Ca -0.02 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 3kbp s LYS 71 Cb -0.13 -2.88 0.00 0.00 -1.05 0.00 0.00 37.83 33.77 3kbp s LYS 71 CO 0.03 0.43 0.00 0.41 1.55 0.00 0.00 175.35 177.77 3kbp n GLY 72 N 2.98 3.64 3.08 5.54 0.00 0.33 -4.68 105.19 116.08 3kbp n GLY 72 Ca -0.18 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 2.89 0.58 -0.02 1.61 2.36 -0.94 -4.86 119.74 121.35 3kbp s LYS 73 Ca 0.00 -0.85 0.08 0.00 -2.55 0.00 0.00 55.97 52.65 3kbp s LYS 73 Cb 0.00 -0.28 -0.02 0.00 -1.05 0.00 0.00 37.83 36.48 3kbp s LYS 73 CO 0.00 0.04 -0.26 1.41 1.55 0.00 0.00 175.35 178.09 3kbp s MET 74 N -1.92 2.15 0.21 4.03 -2.45 -1.26 -1.92 119.30 118.14 3kbp s MET 74 Ca -0.07 -0.93 -0.05 0.00 -1.25 0.00 0.00 55.69 53.40 3kbp s MET 74 Cb -0.08 -2.05 -0.03 0.00 1.25 0.00 0.00 34.83 33.92 3kbp s MET 74 CO -0.00 0.54 0.24 -1.54 1.05 0.00 0.00 175.02 175.31 3kbp s SER 75 N -0.57 0.08 0.09 1.11 1.04 -0.01 -4.95 113.70 110.50 3kbp s SER 75 Ca 0.09 -1.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.15 3kbp s SER 75 Cb -0.10 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3kbp s SER 75 CO -0.01 -0.92 0.39 0.42 0.98 0.00 0.00 173.24 174.11 3kbp s THR 76 N -4.09 0.07 0.14 2.02 -4.23 -1.26 -0.35 115.64 107.93 3kbp s THR 76 Ca 0.31 -0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 3kbp s THR 76 Cb 0.05 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3kbp s THR 76 CO 0.09 -0.31 0.18 -0.72 -0.54 0.00 0.00 174.62 173.33 3kbp s TYR 77 N -3.25 0.51 0.05 3.99 1.13 -1.26 -5.00 117.35 113.52 3kbp s TYR 77 Ca -0.00 -0.90 0.09 0.00 -1.41 0.00 0.00 57.07 54.85 3kbp s TYR 77 Cb 0.01 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.63 3kbp s TYR 77 CO -0.08 -0.62 -0.26 1.03 -2.51 0.00 0.00 175.55 173.12 3kbp s ARG 78 N -3.98 1.81 0.00 -3.49 0.52 -1.26 -0.67 118.95 111.89 3kbp s ARG 78 Ca 0.17 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 3kbp s ARG 78 Cb 0.05 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3kbp s ARG 78 CO -0.01 0.51 0.00 0.34 0.02 0.00 0.00 175.30 176.16 3kbp n PHE 79 N 1.73 0.00 0.00 -0.53 7.35 -0.81 -4.95 117.46 120.24 3kbp n PHE 79 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 3kbp n PHE 79 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 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 -2.37 0.00 -0.80 -5.13 7.35 -1.26 -4.79 117.46 110.45 3kbp n PHE 80 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 3kbp n PHE 80 Cb 0.00 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.17 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 0.00 5.15 -4.91 -2.13 6.94 -1.26 -4.91 115.26 114.14 3kbp n ASN 81 Ca 0.00 -2.96 -0.21 0.00 -0.02 0.00 0.00 54.58 51.39 3kbp n ASN 81 Cb 0.00 -0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 36.70 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 -2.70 3.25 -0.21 -2.53 5.04 -1.26 -5.11 117.35 113.83 3kbp s TYR 82 Ca 0.51 -0.10 -0.06 0.00 -2.44 0.00 0.00 57.07 54.98 3kbp s TYR 82 Cb 0.40 -1.59 0.10 0.00 0.35 0.00 0.00 41.96 41.22 3kbp s TYR 82 CO 0.14 0.39 0.41 -1.12 -1.34 0.00 0.00 175.55 174.03 3kbp s SER 83 N -3.96 -0.16 1.14 4.32 0.01 -1.26 -1.93 113.70 111.85 3kbp s SER 83 Ca 0.36 0.84 -0.13 0.00 1.31 0.00 0.00 55.95 58.33 3kbp s SER 83 Cb -0.08 1.30 0.27 0.00 0.21 0.00 0.00 66.02 67.71 3kbp s SER 83 CO 0.28 -0.24 1.04 -0.94 0.41 0.00 0.00 173.24 173.79 3kbp s SER 84 N 2.60 1.29 0.00 2.44 1.04 0.16 -5.01 113.70 116.21 3kbp s SER 84 Ca 0.01 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.78 3kbp s SER 84 Cb -0.13 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.91 3kbp s SER 84 CO -0.13 -3.98 0.00 0.61 0.98 0.00 0.00 173.24 170.71 3kbp n GLY 85 N 0.21 0.76 3.53 7.32 0.00 -1.26 -4.78 105.19 110.97 3kbp n GLY 85 Ca 0.04 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 0.92 3.20 0.00 1.61 0.08 0.88 -4.61 117.98 120.06 3kbp s PHE 86 Ca 0.00 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.72 3kbp s PHE 86 Cb 0.00 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.65 3kbp s PHE 86 CO 0.00 -0.51 0.58 0.42 -0.10 0.00 0.00 175.22 175.61 3kbp s ILE 87 N 2.06 4.90 0.05 0.64 1.01 0.53 -1.05 121.20 129.34 3kbp s ILE 87 Ca 0.12 1.22 0.07 0.00 0.00 0.00 0.00 60.65 62.06 3kbp s ILE 87 Cb -0.17 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3kbp s ILE 87 CO 0.12 0.43 -0.19 -1.00 0.00 0.00 0.00 174.94 174.30 3kbp s HIS 88 N -0.29 1.69 -0.15 3.97 3.76 0.59 -0.83 115.29 124.03 3kbp s HIS 88 Ca 0.30 -0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 3kbp s HIS 88 Cb -0.18 -0.99 0.07 0.00 1.11 0.00 0.00 32.58 32.58 3kbp s HIS 88 CO 0.17 0.10 0.19 -1.01 -0.85 0.00 0.00 174.74 173.34 3kbp s HIS 89 N -0.87 -0.19 0.05 1.40 3.76 -0.81 -1.81 115.29 116.81 3kbp s HIS 89 Ca 0.06 0.36 0.08 0.00 -0.15 0.00 0.00 55.06 55.41 3kbp s HIS 89 Cb -0.09 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 3kbp s HIS 89 CO 0.02 -0.45 -0.22 0.99 -0.85 0.00 0.00 174.74 174.23 3kbp s THR 90 N 2.30 1.77 -0.29 1.30 2.01 -0.11 -2.20 115.64 120.42 3kbp s THR 90 Ca 0.04 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.78 3kbp s THR 90 Cb -0.14 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 70.88 3kbp s THR 90 CO -0.09 0.23 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.15 3kbp s THR 91 N -0.81 2.80 0.09 -0.82 2.01 -1.26 0.50 115.64 118.15 3kbp s THR 91 Ca 0.08 -1.41 -0.24 0.00 0.31 0.00 0.00 61.69 60.43 3kbp s THR 91 Cb -0.09 -2.60 -0.07 0.00 0.01 0.00 0.00 72.50 69.75 3kbp s THR 91 CO 0.02 -0.07 0.72 -0.63 -0.69 0.00 0.00 174.62 173.97 3kbp s ILE 92 N 1.22 4.62 0.34 1.82 1.01 -0.52 -4.91 121.20 124.79 3kbp s ILE 92 Ca -0.06 1.55 0.04 0.00 0.00 0.00 0.00 60.65 62.19 3kbp s ILE 92 Cb -0.20 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3kbp s ILE 92 CO -0.02 0.46 0.18 0.00 0.00 0.00 0.00 174.94 175.56 3kbp s ARG 93 N -0.63 1.72 -1.41 2.79 1.70 -1.26 -1.06 118.95 120.81 3kbp s ARG 93 Ca 0.35 -2.01 -0.10 0.00 -0.47 0.00 0.00 55.73 53.50 3kbp s ARG 93 Cb -0.21 -0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.07 3kbp s ARG 93 CO 0.23 -0.51 1.10 1.63 -1.08 0.00 0.00 175.30 176.67 3kbp n LYS 94 N -0.68 -7.04 -1.71 3.89 4.76 -0.37 -4.93 118.16 112.08 3kbp n LYS 94 Ca 0.01 0.75 -0.31 0.00 -2.87 0.00 0.00 58.31 55.89 3kbp n LYS 94 Cb 0.64 -5.74 0.05 0.00 -1.84 0.00 0.00 35.03 28.14 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 -7.24 2.97 0.21 -0.35 1.43 -0.65 -5.04 118.68 110.01 3kbp s LEU 95 Ca 0.57 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.95 3kbp s LEU 95 Cb -0.26 -4.21 -0.07 0.00 0.03 0.00 0.00 46.19 41.67 3kbp s LEU 95 CO 0.77 -1.41 0.54 -0.54 0.23 0.00 0.00 176.35 175.94 3kbp s LYS 96 N -5.18 3.82 0.53 1.70 1.02 -1.26 -4.76 119.74 115.61 3kbp s LYS 96 Ca 0.58 0.29 -0.19 0.00 0.02 0.00 0.00 55.97 56.67 3kbp s LYS 96 Cb -0.13 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.42 3kbp s LYS 96 CO 0.54 0.35 1.06 0.71 -0.92 0.00 0.00 175.35 177.09 3kbp s TYR 97 N -1.76 2.91 -0.87 3.18 2.02 -1.26 -4.09 117.35 117.48 3kbp s TYR 97 Ca 0.46 1.55 -0.05 0.00 -0.37 0.00 0.00 57.07 58.66 3kbp s TYR 97 Cb -0.12 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 3kbp s TYR 97 CO 0.21 -1.08 0.66 -1.71 -1.57 0.00 0.00 175.55 172.06 3kbp n ASN 98 N -1.34 -5.69 -3.76 2.29 5.15 0.27 -4.94 115.26 107.25 3kbp n ASN 98 Ca 0.10 -0.75 -0.13 0.00 -0.60 0.00 0.00 54.58 53.20 3kbp n ASN 98 Cb 0.52 -2.91 -0.11 0.00 -0.53 0.00 0.00 39.78 36.75 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 -3.09 -0.01 0.24 -0.44 2.01 -1.21 -4.88 115.64 108.26 3kbp s THR 99 Ca 0.09 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3kbp s THR 99 Cb -0.04 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 3kbp s THR 99 CO 0.86 0.01 0.98 -0.75 -0.69 0.00 0.00 174.62 175.03 3kbp s LYS 100 N 0.41 4.80 0.03 4.92 2.20 -1.26 -0.91 119.74 129.93 3kbp s LYS 100 Ca -0.02 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.22 3kbp s LYS 100 Cb -0.04 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3kbp s LYS 100 CO -0.02 0.42 -0.18 0.71 -0.36 0.00 0.00 175.35 175.93 3kbp s TYR 101 N -1.10 1.58 -0.14 4.03 2.02 0.22 -2.58 117.35 121.38 3kbp s TYR 101 Ca 0.42 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.76 3kbp s TYR 101 Cb -0.27 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3kbp s TYR 101 CO 0.34 0.05 -0.10 0.71 -1.57 0.00 0.00 175.55 174.98 3kbp s TYR 102 N -0.72 2.88 0.00 2.71 2.02 0.54 -1.22 117.35 123.56 3kbp s TYR 102 Ca 0.06 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 3kbp s TYR 102 Cb -0.08 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.59 3kbp s TYR 102 CO 0.01 -0.15 -0.09 1.52 -1.57 0.00 0.00 175.55 175.27 3kbp s TYR 103 N 0.34 0.84 0.05 2.71 -0.85 0.78 -1.09 117.35 120.13 3kbp s TYR 103 Ca -0.09 -0.19 0.09 0.00 -0.52 0.00 0.00 57.07 56.36 3kbp s TYR 103 Cb -0.15 -0.53 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 3kbp s TYR 103 CO 0.05 -0.01 -0.25 -1.21 -1.52 0.00 0.00 175.55 172.61 3kbp s GLU 104 N -0.37 1.82 -0.01 -3.49 2.02 0.81 0.73 118.70 120.21 3kbp s GLU 104 Ca 0.03 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.91 3kbp s GLU 104 Cb -0.04 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.18 3kbp s GLU 104 CO -0.00 0.51 -0.01 0.54 0.02 0.00 0.00 175.26 176.32 3kbp s VAL 105 N -0.86 0.13 0.00 2.63 0.11 0.05 -1.50 120.40 120.95 3kbp s VAL 105 Ca 0.13 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3kbp s VAL 105 Cb -0.10 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 3kbp s VAL 105 CO 0.03 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 3kbp n GLY 106 N 3.51 0.88 0.35 6.54 0.00 -1.26 -1.44 105.19 113.77 3kbp n GLY 106 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.76 -0.01 0.99 3.38 -1.84 -2.67 115.31 115.92 3kbp h LEU 107 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kbp h LEU 107 Cb 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kbp h LEU 107 CO 0.00 0.50 -0.00 0.03 0.09 0.00 0.00 178.44 179.06 3kbp h ARG 108 N 0.87 0.02 0.00 1.13 3.08 -1.95 -3.46 114.38 114.07 3kbp h ARG 108 Ca 0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3kbp h ARG 108 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kbp h ARG 108 CO -0.11 0.42 0.00 0.09 -1.07 0.00 0.00 179.97 179.31 3kbp n ASN 109 N -4.88 0.00 -4.28 7.04 4.13 -1.21 -5.00 115.26 111.06 3kbp n ASN 109 Ca -0.08 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.79 3kbp n ASN 109 Cb 0.22 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.34 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 4.01 0.13 3.41 -4.23 -1.23 -5.01 115.64 112.72 3kbp s THR 110 Ca 0.00 -1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 3kbp s THR 110 Cb 0.00 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 3kbp s THR 110 CO 0.00 -0.30 1.00 -0.89 -0.54 0.00 0.00 174.62 173.88 3kbp s THR 111 N 1.42 4.33 -0.05 3.99 2.01 -1.01 -4.28 115.64 122.05 3kbp s THR 111 Ca 0.01 1.96 0.05 0.00 0.31 0.00 0.00 61.69 64.02 3kbp s THR 111 Cb -0.21 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 3kbp s THR 111 CO 0.03 0.31 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.93 3kbp s ARG 112 N -0.12 2.21 -0.03 4.92 0.52 -0.52 -4.93 118.95 121.00 3kbp s ARG 112 Ca 0.47 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3kbp s ARG 112 Cb -0.25 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 3kbp s ARG 112 CO 0.31 0.31 0.07 0.50 0.02 0.00 0.00 175.30 176.51 3kbp s ARG 113 N -0.06 3.08 0.32 3.54 3.52 -1.26 -0.77 118.95 127.31 3kbp s ARG 113 Ca -0.04 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 3kbp s ARG 113 Cb -0.13 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 3kbp s ARG 113 CO 0.03 0.67 0.41 -0.06 -0.81 0.00 0.00 175.30 175.54 3kbp s PHE 114 N -1.12 1.14 -0.01 5.12 0.08 0.22 -4.97 117.98 118.44 3kbp s PHE 114 Ca 0.20 -1.32 -0.13 0.00 0.12 0.00 0.00 56.93 55.80 3kbp s PHE 114 Cb -0.12 -0.22 0.02 0.00 -0.57 0.00 0.00 43.02 42.13 3kbp s PHE 114 CO 0.11 -1.03 0.27 -1.54 -0.10 0.00 0.00 175.22 172.93 3kbp s SER 115 N -3.24 -0.14 0.07 1.36 1.04 -1.26 -0.16 113.70 111.38 3kbp s SER 115 Ca 0.33 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 3kbp s SER 115 Cb 0.01 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 3kbp s SER 115 CO 0.20 -0.42 0.17 0.72 0.98 0.00 0.00 173.24 174.88 3kbp s PHE 116 N -1.31 0.16 -0.16 5.02 -0.12 -0.36 -4.44 117.98 116.78 3kbp s PHE 116 Ca -0.14 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 3kbp s PHE 116 Cb -0.06 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 3kbp s PHE 116 CO 0.04 -0.49 -0.20 0.42 -0.05 0.00 0.00 175.22 174.94 3kbp s ILE 117 N -3.48 2.21 0.57 -4.49 1.01 -1.26 0.69 121.20 116.45 3kbp s ILE 117 Ca 0.02 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 3kbp s ILE 117 Cb 0.03 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3kbp s ILE 117 CO -0.09 0.54 1.28 0.42 0.00 0.00 0.00 174.94 177.09 3kbp s THR 118 N 0.96 2.33 0.88 2.92 -4.23 -0.09 -4.81 115.64 113.60 3kbp s THR 118 Ca -0.03 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.59 3kbp s THR 118 Cb -0.15 -3.10 0.17 0.00 1.34 0.00 0.00 72.50 70.76 3kbp s THR 118 CO -0.04 -0.02 1.21 -2.16 -0.54 0.00 0.00 174.62 173.06 3kbp s PRO 119 N -3.10 1.07 0.79 3.99 0.04 -1.26 -2.45 135.00 134.07 3kbp s PRO 119 Ca 0.75 -0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.11 3kbp s PRO 119 Cb -0.36 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3kbp s PRO 119 CO 0.40 -2.05 1.08 -1.25 0.04 0.00 0.00 177.00 175.23 3kbp s PRO 120 N -5.64 2.17 0.31 0.56 0.04 -1.26 -0.56 135.00 130.63 3kbp s PRO 120 Ca 0.71 0.89 -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 0.50 -1.62 1.36 -1.14 0.04 0.00 0.00 177.00 176.14 3kbp s GLN 121 N -5.02 4.31 0.04 4.56 0.74 -1.26 -3.98 119.66 119.06 3kbp s GLN 121 Ca 0.61 2.28 -0.38 0.00 0.05 0.00 0.00 55.36 57.91 3kbp s GLN 121 Cb -0.16 -3.07 -0.18 0.00 1.10 0.00 0.00 33.01 30.70 3kbp s GLN 121 CO 0.55 -0.28 1.19 2.41 -0.55 0.00 0.00 175.29 178.61 3kbp n THR 122 N 1.16 0.04 -3.57 -0.34 -1.04 -1.26 -4.76 114.28 104.51 3kbp n THR 122 Ca 0.02 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.92 3kbp n THR 122 Cb 0.41 -0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.20 -0.43 0.08 3.41 0.00 -0.98 -5.00 107.32 104.60 3kbp s GLY 123 Ca 0.87 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 45.60 3kbp s GLY 123 CO 0.52 0.06 1.60 -2.00 0.00 0.00 0.00 173.10 173.29 3kbp h LEU 124 N 2.01 0.23 -3.32 0.66 5.85 -1.77 -3.26 115.31 115.72 3kbp h LEU 124 Ca -0.29 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.10 3kbp h LEU 124 Cb 1.29 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 3kbp h LEU 124 CO 0.33 0.35 -0.08 0.47 -0.34 0.00 0.00 178.44 179.18 3kbp n ASP 125 N -4.85 2.66 -4.62 1.25 8.00 -1.26 -3.88 116.55 113.85 3kbp n ASP 125 Ca -0.05 -3.64 -0.43 0.00 0.71 0.00 0.00 54.79 51.38 3kbp n ASP 125 Cb 0.13 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 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 4.48 0.64 2.53 1.01 -1.23 -4.79 120.40 119.88 3kbp s VAL 126 Ca 0.44 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 3kbp s VAL 126 Cb 0.39 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3kbp s VAL 126 CO 0.01 -0.58 1.04 -2.16 0.00 0.00 0.00 175.10 173.41 3kbp s PRO 127 N 3.73 3.39 -0.13 2.72 0.04 -1.26 -3.63 135.00 139.86 3kbp s PRO 127 Ca 0.44 0.78 -0.31 0.00 0.04 0.00 0.00 61.00 61.95 3kbp s PRO 127 Cb -0.11 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.50 3kbp s PRO 127 CO 0.19 -0.73 1.06 -0.47 0.04 0.00 0.00 177.00 177.09 3kbp s TYR 128 N -3.16 -0.26 -0.11 0.56 5.04 -1.07 -4.87 117.35 113.49 3kbp s TYR 128 Ca 0.56 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 55.45 3kbp s TYR 128 Cb -0.12 0.50 0.03 0.00 0.35 0.00 0.00 41.96 42.73 3kbp s TYR 128 CO 0.54 -0.34 -0.02 -0.08 -1.34 0.00 0.00 175.55 174.31 3kbp s THR 129 N -2.18 0.65 -0.05 4.34 -1.32 -1.26 -0.70 115.64 115.12 3kbp s THR 129 Ca 0.05 -0.14 -0.10 0.00 -1.21 0.00 0.00 61.69 60.29 3kbp s THR 129 Cb -0.01 -0.81 -0.05 0.00 -1.51 0.00 0.00 72.50 70.13 3kbp s THR 129 CO -0.05 0.23 0.27 -0.36 -2.21 0.00 0.00 174.62 172.50 3kbp s PHE 130 N 1.85 3.65 0.05 9.09 0.40 -0.95 -0.61 117.98 131.46 3kbp s PHE 130 Ca 0.04 0.72 -0.05 0.00 -0.60 0.00 0.00 56.93 57.04 3kbp s PHE 130 Cb -0.13 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 3kbp s PHE 130 CO -0.07 0.68 0.28 0.20 0.70 0.00 0.00 175.22 177.01 3kbp s GLY 131 N -1.17 2.23 -0.15 4.36 0.00 0.14 -0.84 107.32 111.89 3kbp s GLY 131 Ca 0.21 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.30 3kbp s GLY 131 CO 0.10 -0.51 -0.17 1.08 0.00 0.00 0.00 173.10 173.60 3kbp s LEU 132 N -2.13 2.40 -0.04 0.66 1.02 0.78 -0.21 118.68 121.16 3kbp s LEU 132 Ca 0.32 -0.50 -0.03 0.00 0.02 0.00 0.00 54.13 53.95 3kbp s LEU 132 Cb -0.13 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.56 3kbp s LEU 132 CO 0.21 0.09 0.09 -0.63 0.02 0.00 0.00 176.35 176.12 3kbp s ILE 133 N 0.81 -0.01 -0.02 -0.59 1.01 -1.07 -0.85 121.20 120.48 3kbp s ILE 133 Ca -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 3kbp s ILE 133 Cb -0.15 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.20 3kbp s ILE 133 CO -0.00 0.02 0.25 -0.83 0.00 0.00 0.00 174.94 174.37 3kbp s GLY 134 N 0.26 -0.09 -1.27 6.18 0.00 -1.22 -2.08 107.32 109.09 3kbp s GLY 134 Ca -0.02 0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.85 3kbp s GLY 134 CO -0.01 0.06 1.09 1.22 0.00 0.00 0.00 173.10 175.47 3kbp n ASP 135 N 1.55 -6.10 0.29 1.64 9.92 0.01 -2.66 116.55 121.20 3kbp n ASP 135 Ca -0.21 -0.50 -0.17 0.00 -0.53 0.00 0.00 54.79 53.38 3kbp n ASP 135 Cb 0.56 -4.72 -0.09 0.00 -0.64 0.00 0.00 41.12 36.23 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 -2.50 -1.04 0.00 0.64 5.85 -1.76 -0.54 115.31 115.96 3kbp h LEU 136 Ca -0.53 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kbp h LEU 136 Cb 1.34 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3kbp h LEU 136 CO 0.52 -0.58 0.00 0.61 -0.34 0.00 0.00 178.44 178.66 3kbp n GLY 137 N -1.51 0.11 2.53 3.75 0.00 -0.94 -1.56 105.19 107.57 3kbp n GLY 137 Ca -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.31 1.53 -2.17 1.61 10.64 -1.24 -4.83 117.38 122.61 3kbp n GLN 138 Ca 0.00 -3.28 -0.27 0.00 -1.83 0.00 0.00 57.00 51.62 3kbp n GLN 138 Cb 0.00 -1.36 0.15 0.00 -0.86 0.00 0.00 30.24 28.17 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 -3.47 3.65 0.29 2.61 1.04 -1.17 -1.60 113.70 115.04 3kbp s SER 139 Ca 0.30 0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.80 3kbp s SER 139 Cb 0.34 -0.27 0.43 0.00 0.10 0.00 0.00 66.02 66.62 3kbp s SER 139 CO -0.06 -2.37 1.83 -0.26 0.98 0.00 0.00 173.24 173.37 3kbp h PHE 140 N -1.20 0.80 -0.64 5.02 0.04 -1.77 -2.12 116.94 117.08 3kbp h PHE 140 Ca -0.42 -0.08 0.08 0.00 2.80 0.00 0.00 57.97 60.36 3kbp h PHE 140 Cb 1.25 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 39.10 3kbp h PHE 140 CO -0.72 0.69 0.29 -0.44 -0.60 0.00 0.00 178.31 177.53 3kbp h ASP 141 N 0.75 0.36 -0.73 2.17 3.32 -1.90 0.11 116.42 120.51 3kbp h ASP 141 Ca 0.16 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.36 3kbp h ASP 141 Cb 0.30 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 3kbp h ASP 141 CO 0.00 0.22 0.39 0.28 -1.72 0.00 0.00 179.24 178.40 3kbp h SER 142 N 0.52 0.53 -0.30 6.45 0.02 -1.51 0.57 113.55 119.82 3kbp h SER 142 Ca 0.31 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 3kbp h SER 142 Cb 0.32 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3kbp h SER 142 CO -0.26 0.31 0.06 -1.13 -1.14 0.00 0.00 176.83 174.67 3kbp h ASN 143 N 0.66 0.01 -0.13 3.07 -1.24 -0.63 -0.84 115.58 116.48 3kbp h ASN 143 Ca 0.35 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.43 3kbp h ASN 143 Cb 0.33 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3kbp h ASN 143 CO -0.25 0.04 0.01 0.74 -1.29 0.00 0.00 177.43 176.68 3kbp h THR 144 N 0.16 0.93 0.08 -3.57 2.02 0.17 -1.03 112.91 111.67 3kbp h THR 144 Ca 0.14 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3kbp h THR 144 Cb 0.15 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kbp h THR 144 CO -0.19 0.01 -0.11 0.74 0.37 0.00 0.00 175.52 176.35 3kbp h THR 145 N 0.06 0.75 -0.99 3.16 2.02 -0.56 0.30 112.91 117.64 3kbp h THR 145 Ca 0.06 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.43 3kbp h THR 145 Cb 0.06 0.75 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 3kbp h THR 145 CO -0.09 0.00 0.61 0.25 0.37 0.00 0.00 175.52 176.67 3kbp h LEU 146 N -0.22 0.74 -0.22 2.58 5.85 -0.79 0.24 115.31 123.49 3kbp h LEU 146 Ca 0.01 0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 3kbp h LEU 146 Cb 0.23 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.22 3kbp h LEU 146 CO -0.05 0.27 -0.79 0.77 -0.34 0.00 0.00 178.44 178.30 3kbp h SER 147 N 0.73 0.80 -0.65 1.25 4.64 0.29 -0.06 113.55 120.54 3kbp h SER 147 Ca 0.56 -0.54 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3kbp h SER 147 Cb 0.92 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 3kbp h SER 147 CO -0.35 1.32 0.38 0.45 -0.87 0.00 0.00 176.83 177.77 3kbp h HIS 148 N 0.45 0.71 -0.54 4.77 3.86 0.26 -0.65 115.15 124.01 3kbp h HIS 148 Ca -0.05 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3kbp h HIS 148 Cb 1.41 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 3kbp h HIS 148 CO 0.07 0.37 0.01 -0.92 0.86 0.00 0.00 177.93 178.32 3kbp h TYR 149 N 0.72 0.99 0.00 2.45 3.20 -0.72 0.54 116.97 124.14 3kbp h TYR 149 Ca 0.28 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3kbp h TYR 149 Cb 0.11 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3kbp h TYR 149 CO -0.07 0.89 0.00 0.93 -1.64 0.00 0.00 178.16 178.27 3kbp h GLU 150 N 0.85 0.00 0.00 1.82 5.08 0.39 -3.02 114.58 119.70 3kbp h GLU 150 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3kbp h GLU 150 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kbp h GLU 150 CO 0.02 0.00 -0.44 1.28 -1.00 0.00 0.00 179.01 178.87 3kbp n LEU 151 N -2.86 0.21 -4.72 1.33 4.77 -0.35 -5.00 117.00 110.38 3kbp n LEU 151 Ca -0.02 -0.41 -0.62 0.00 -0.03 0.00 0.00 56.01 54.93 3kbp n LEU 151 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3kbp n LEU 151 CO 0.19 0.05 1.22 -1.20 -1.33 0.00 0.00 177.39 176.31 3kbp n SER 152 N -1.23 1.77 -0.27 -1.43 7.64 0.03 -4.78 113.62 115.36 3kbp n SER 152 Ca 0.01 1.13 0.08 0.00 1.01 0.00 0.00 58.87 61.10 3kbp n SER 152 Cb 0.10 -1.02 0.22 0.00 -1.01 0.00 0.00 64.21 62.50 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 6.03 0.35 -6.33 1.43 0.13 -1.91 -3.24 132.00 128.46 3kbp h PRO 153 Ca -0.46 -0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3kbp h PRO 153 Cb 1.35 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 3kbp h PRO 153 CO 0.96 0.23 0.99 -1.59 -0.23 0.00 0.00 178.00 178.36 3kbp s LYS 154 N -5.99 3.91 -0.13 0.86 0.00 -1.26 -4.95 119.74 112.18 3kbp s LYS 154 Ca -0.12 1.33 -0.21 0.00 0.00 0.00 0.00 55.97 56.97 3kbp s LYS 154 Cb 0.22 -3.90 -0.03 0.00 0.00 0.00 0.00 37.83 34.12 3kbp s LYS 154 CO 0.77 -1.13 0.60 -1.59 0.00 0.00 0.00 175.35 173.99 3kbp s LYS 155 N 4.23 4.33 0.65 1.78 0.00 -1.22 -5.03 119.74 124.47 3kbp s LYS 155 Ca 0.59 0.64 -0.17 0.00 0.00 0.00 0.00 55.97 57.03 3kbp s LYS 155 Cb -0.18 -3.49 -0.01 0.00 0.00 0.00 0.00 37.83 34.15 3kbp s LYS 155 CO 0.24 -0.01 1.18 0.20 0.00 0.00 0.00 175.35 176.95 3kbp s GLY 156 N 0.88 2.46 -0.00 0.59 0.00 -1.26 -4.82 107.32 105.17 3kbp s GLY 156 Ca 0.31 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3kbp s GLY 156 CO 0.13 1.22 0.00 -1.06 0.00 0.00 0.00 173.10 173.39 3kbp n GLN 157 N -2.12 6.84 -3.58 2.90 6.02 0.22 -4.96 117.38 122.71 3kbp n GLN 157 Ca 0.13 -0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 3kbp n GLN 157 Cb 0.50 -0.51 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 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 -1.02 0.00 -0.16 5.09 2.01 -1.24 -4.57 115.64 115.75 3kbp s THR 158 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3kbp s THR 158 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3kbp s THR 158 CO 0.00 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.20 3kbp s VAL 159 N -0.46 3.77 -0.33 3.82 1.01 -0.76 0.28 120.40 127.74 3kbp s VAL 159 Ca -0.04 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3kbp s VAL 159 Cb -0.02 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3kbp s VAL 159 CO 0.04 0.49 0.39 -0.76 0.00 0.00 0.00 175.10 175.26 3kbp s LEU 160 N 0.46 4.32 -0.38 3.92 1.43 0.70 -0.52 118.68 128.62 3kbp s LEU 160 Ca -0.04 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3kbp s LEU 160 Cb -0.14 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.67 3kbp s LEU 160 CO 0.03 -0.33 0.30 0.12 0.23 0.00 0.00 176.35 176.70 3kbp s PHE 161 N 2.10 3.23 -0.68 0.29 2.19 -0.18 -2.61 117.98 122.33 3kbp s PHE 161 Ca 0.14 -0.38 0.01 0.00 0.33 0.00 0.00 56.93 57.03 3kbp s PHE 161 Cb -0.16 -2.58 0.08 0.00 -1.31 0.00 0.00 43.02 39.04 3kbp s PHE 161 CO 0.12 -0.50 0.75 1.55 1.83 0.00 0.00 175.22 178.97 3kbp n VAL 162 N 5.17 0.53 0.00 3.12 3.14 -0.89 -2.12 118.33 127.28 3kbp n VAL 162 Ca -0.11 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3kbp n VAL 162 Cb 0.48 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 0.14 2.41 2.72 7.55 0.00 -1.14 -4.09 105.19 112.77 3kbp n GLY 163 Ca 0.04 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 -7.19 -0.05 1.61 9.92 -1.26 -0.81 116.55 118.77 3kbp n ASP 164 Ca 0.00 1.42 -0.21 0.00 -0.53 0.00 0.00 54.79 55.46 3kbp n ASP 164 Cb 0.00 -5.27 -0.13 0.00 -0.64 0.00 0.00 41.12 35.08 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 3.20 0.18 -0.01 0.64 4.07 -1.93 -3.08 115.31 118.38 3kbp h LEU 165 Ca -0.06 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.18 3kbp h LEU 165 Cb 0.16 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3kbp h LEU 165 CO 0.09 1.56 0.00 -1.54 -1.08 0.00 0.00 178.44 177.47 3kbp n SER 166 N -4.13 0.01 -1.95 -0.43 3.41 -1.26 -2.21 113.62 107.07 3kbp n SER 166 Ca -0.29 -0.16 -0.20 0.00 -0.26 0.00 0.00 58.87 57.96 3kbp n SER 166 Cb 0.80 0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.10 -0.50 0.25 7.33 4.02 -1.26 -4.48 117.16 122.41 3kbp n TYR 167 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3kbp n TYR 167 Cb 0.02 -3.66 0.62 0.00 -0.02 0.00 0.00 39.34 36.31 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 0.50 1.70 0.00 -0.72 0.00 -1.89 -1.56 119.26 117.30 3kbp h ALA 168 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kbp h ALA 168 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kbp h ALA 168 CO 0.59 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 3kbp n ASP 169 N -4.23 0.00 0.01 0.00 5.75 -1.26 -1.31 116.55 115.52 3kbp n ASP 169 Ca -0.03 -0.43 -0.07 0.00 -0.01 0.00 0.00 54.79 54.25 3kbp n ASP 169 Cb 0.19 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.64 -3.42 114.38 105.14 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 0.62 0.29 0.71 -1.07 0.00 0.00 179.97 180.52 3kbp s TYR 171 N -2.68 2.56 0.18 3.04 1.51 -0.42 -4.93 117.35 116.60 3kbp s TYR 171 Ca -0.02 1.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.98 3kbp s TYR 171 Cb 0.09 -3.13 -0.08 0.00 -0.11 0.00 0.00 41.96 38.73 3kbp s TYR 171 CO 0.82 -2.08 1.21 -1.25 -1.11 0.00 0.00 175.55 173.14 3kbp s PRO 172 N -5.02 4.48 -1.75 -1.71 0.04 -1.26 -1.91 135.00 127.87 3kbp s PRO 172 Ca 0.62 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3kbp s PRO 172 Cb -0.16 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3kbp s PRO 172 CO 0.56 -0.11 0.00 0.09 0.04 0.00 0.00 177.00 177.58 3kbp n ASN 173 N 2.60 -5.61 -1.62 6.66 5.03 -1.26 -0.75 115.26 120.30 3kbp n ASN 173 Ca 0.05 0.06 -0.11 0.00 0.87 0.00 0.00 54.58 55.44 3kbp n ASN 173 Cb 0.45 -4.67 -0.04 0.00 -1.02 0.00 0.00 39.78 34.49 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 -3.78 -0.73 0.00 3.10 8.25 -0.80 -4.27 115.22 116.98 3kbp n HIS 174 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3kbp n HIS 174 Cb 0.67 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.38 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 -0.67 0.00 0.00 0.41 -0.08 0.07 -4.46 116.55 111.81 3kbp n ASP 175 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 3kbp n ASP 175 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.26 1.67 5.03 -1.26 -0.74 115.26 119.70 3kbp n ASN 176 Ca 0.00 0.13 -0.03 0.00 0.87 0.00 0.00 54.58 55.55 3kbp n ASN 176 Cb 0.00 -0.13 0.13 0.00 -1.02 0.00 0.00 39.78 38.76 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 1.24 0.00 2.41 2.07 -1.97 0.20 116.25 120.20 3kbp h VAL 177 Ca 0.00 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3kbp h VAL 177 Cb 0.25 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kbp h VAL 177 CO 0.00 0.29 0.02 0.03 0.02 0.00 0.00 177.57 177.93 3kbp h ARG 178 N 1.09 0.00 0.17 1.57 2.47 -1.24 1.02 114.38 119.46 3kbp h ARG 178 Ca 0.26 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.69 3kbp h ARG 178 Cb 0.12 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3kbp h ARG 178 CO -0.03 0.00 -1.34 -1.49 0.56 0.00 0.00 179.97 177.67 3kbp h TRP 179 N 0.00 0.66 -0.24 3.04 4.06 -0.80 -2.80 115.95 119.86 3kbp h TRP 179 Ca 0.00 -0.48 -0.07 0.00 2.06 0.00 0.00 58.89 60.40 3kbp h TRP 179 Cb 0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3kbp h TRP 179 CO 0.00 1.38 -0.12 -0.44 -3.56 0.00 0.00 178.44 175.70 3kbp h ASP 180 N 0.10 0.52 -0.05 -3.49 3.32 0.13 -2.13 116.42 114.82 3kbp h ASP 180 Ca -0.18 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.47 3kbp h ASP 180 Cb 2.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 3kbp h ASP 180 CO 0.23 0.82 -0.04 0.71 -1.72 0.00 0.00 179.24 179.24 3kbp h THR 181 N 0.23 0.88 -0.86 0.35 1.35 -0.82 -1.73 112.91 112.31 3kbp h THR 181 Ca 0.05 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.00 3kbp h THR 181 Cb 0.62 0.88 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 3kbp h THR 181 CO 0.04 0.00 0.56 -0.25 -0.25 0.00 0.00 175.52 175.61 3kbp h TRP 182 N -0.05 0.92 -0.72 4.73 7.01 -1.48 0.42 115.95 126.78 3kbp h TRP 182 Ca 0.04 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 3kbp h TRP 182 Cb 0.10 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 3kbp h TRP 182 CO -0.14 0.44 0.26 0.78 -2.79 0.00 0.00 178.44 176.99 3kbp h GLY 183 N 0.87 1.17 1.22 2.65 0.00 -0.64 -1.47 103.07 106.87 3kbp h GLY 183 Ca 0.39 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 3kbp h GLY 183 CO -0.15 0.62 -0.69 3.21 0.00 0.00 0.00 176.54 179.52 3kbp h ARG 184 N 1.06 0.79 0.28 4.80 3.08 -0.02 -2.82 114.38 121.55 3kbp h ARG 184 Ca 0.24 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3kbp h ARG 184 Cb 0.25 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3kbp h ARG 184 CO -0.01 1.20 -0.27 0.35 -1.07 0.00 0.00 179.97 180.18 3kbp h PHE 185 N 0.56 -0.71 0.00 3.04 3.57 0.27 -3.09 116.94 120.58 3kbp h PHE 185 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kbp h PHE 185 Cb 1.31 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.32 3kbp h PHE 185 CO 0.08 -0.39 0.00 0.25 -2.23 0.00 0.00 178.31 176.02 3kbp n THR 186 N -5.39 0.35 -0.31 4.41 -2.24 -0.60 -4.08 114.28 106.41 3kbp n THR 186 Ca -0.09 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.82 3kbp n THR 186 Cb 0.29 -0.63 0.34 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.34 -0.08 -0.78 4.81 -1.41 0.34 114.58 117.80 3kbp h GLU 187 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3kbp h GLU 187 Cb 0.52 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kbp h GLU 187 CO 0.00 0.23 0.39 0.07 -0.73 0.00 0.00 179.01 178.97 3kbp h ARG 188 N 0.35 0.00 0.00 1.92 0.11 -1.79 0.72 114.38 115.69 3kbp h ARG 188 Ca 0.60 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.68 3kbp h ARG 188 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3kbp h ARG 188 CO -0.57 0.00 -0.71 0.45 0.10 0.00 0.00 179.97 179.24 3kbp n SER 189 N -3.01 1.54 0.33 0.08 2.88 0.06 -4.69 113.62 110.81 3kbp n SER 189 Ca -0.00 0.25 0.21 0.00 -1.33 0.00 0.00 58.87 58.01 3kbp n SER 189 Cb 0.46 -0.64 1.15 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.71 0.09 0.00 2.46 -1.51 -1.20 0.01 116.25 115.39 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 0.71 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 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 -2.11 1.99 -0.01 5.19 0.00 0.23 -1.53 120.51 124.28 3kbp n ALA 191 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3kbp n ALA 191 Cb 0.10 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.23 0.00 -3.82 0.00 4.02 -0.06 -4.56 117.16 110.52 3kbp n TYR 192 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 3kbp n TYR 192 Cb 0.33 -0.17 -0.13 0.00 -0.02 0.00 0.00 39.34 39.36 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 -2.42 0.15 0.73 -0.72 -2.07 -0.89 -4.48 119.66 109.97 3kbp s GLN 193 Ca -0.02 0.21 -0.16 0.00 -1.82 0.00 0.00 55.36 53.57 3kbp s GLN 193 Cb 0.04 0.05 0.04 0.00 -1.09 0.00 0.00 33.01 32.05 3kbp s GLN 193 CO 0.27 -0.04 1.25 -0.35 -1.32 0.00 0.00 175.29 175.11 3kbp n PRO 194 N 3.15 0.63 -4.71 9.60 -0.04 -1.26 -4.24 135.00 138.14 3kbp n PRO 194 Ca -0.14 0.28 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 3kbp n PRO 194 Cb 0.58 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.39 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 -1.76 1.65 -0.22 0.54 0.52 -1.23 -1.83 118.94 116.60 3kbp s TRP 195 Ca 0.78 -0.61 -0.20 0.00 0.02 0.00 0.00 56.10 56.09 3kbp s TRP 195 Cb -0.33 -1.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 3kbp s TRP 195 CO 0.46 -0.29 0.60 0.42 0.02 0.00 0.00 176.95 178.16 3kbp s ILE 196 N 0.56 5.03 0.03 2.03 -1.09 0.33 -4.70 121.20 123.38 3kbp s ILE 196 Ca -0.14 1.11 -0.20 0.00 -2.23 0.00 0.00 60.65 59.19 3kbp s ILE 196 Cb -0.16 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.75 3kbp s ILE 196 CO 0.04 0.09 0.57 0.26 -1.23 0.00 0.00 174.94 174.68 3kbp s TRP 197 N 2.08 3.74 -0.09 3.97 0.52 -1.26 -1.01 118.94 126.89 3kbp s TRP 197 Ca 0.27 1.22 0.02 0.00 0.02 0.00 0.00 56.10 57.62 3kbp s TRP 197 Cb -0.16 -2.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.64 3kbp s TRP 197 CO 0.09 0.47 -0.12 0.99 0.02 0.00 0.00 176.95 178.40 3kbp s THR 198 N -0.62 1.23 0.07 2.01 2.01 -0.90 -5.00 115.64 114.44 3kbp s THR 198 Ca 0.30 -0.50 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 3kbp s THR 198 Cb -0.19 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.10 3kbp s THR 198 CO 0.18 0.38 1.57 0.00 -0.69 0.00 0.00 174.62 176.06 3kbp s ALA 199 N 0.96 3.67 0.51 7.40 0.00 -1.26 -2.89 121.76 130.15 3kbp s ALA 199 Ca -0.09 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.09 3kbp s ALA 199 Cb -0.15 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.35 3kbp s ALA 199 CO -0.00 -0.98 0.46 0.20 0.00 0.00 0.00 175.76 175.44 3kbp s GLY 200 N 2.02 2.20 0.32 0.00 0.00 -1.26 -4.63 107.32 105.97 3kbp s GLY 200 Ca 0.70 -1.60 0.13 0.00 0.00 0.00 0.00 44.72 43.96 3kbp s GLY 200 CO 0.31 -1.83 1.69 3.45 0.00 0.00 0.00 173.10 176.72 3kbp h ASN 201 N 0.74 0.00 0.66 1.64 -1.07 -1.95 -0.79 115.58 114.81 3kbp h ASN 201 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 3kbp h ASN 201 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 3kbp h ASN 201 CO 0.55 0.50 0.00 0.45 0.07 0.00 0.00 177.43 179.00 3kbp h HIS 202 N 0.00 0.00 0.00 4.14 3.86 -1.97 -1.95 115.15 119.23 3kbp h HIS 202 Ca -0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3kbp h HIS 202 Cb 0.95 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 3kbp h HIS 202 CO 0.00 0.00 -0.58 0.93 0.86 0.00 0.00 177.93 179.14 3kbp h GLU 203 N 0.00 0.00 -0.18 2.45 3.07 -1.53 -3.37 114.58 115.02 3kbp h GLU 203 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3kbp h GLU 203 Cb 0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 3kbp h GLU 203 CO 0.00 0.41 -0.24 0.82 -1.40 0.00 0.00 179.01 178.60 3kbp h ILE 204 N 0.00 0.42 -6.31 3.13 2.04 -1.34 -3.25 117.51 112.21 3kbp h ILE 204 Ca -0.02 0.00 -0.46 0.00 1.00 0.00 0.00 64.86 65.37 3kbp h ILE 204 Cb 1.36 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3kbp h ILE 204 CO 0.05 0.00 -0.86 -0.62 0.00 0.00 0.00 178.15 176.73 3kbp n GLU 205 N -5.37 -4.11 -2.50 2.37 1.02 -1.26 0.02 120.64 110.82 3kbp n GLU 205 Ca -0.02 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 3kbp n GLU 205 Cb 0.28 -4.87 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 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 -3.79 2.28 -0.62 -0.32 5.36 -1.26 -4.76 117.98 114.86 3kbp s PHE 206 Ca 0.04 0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.21 3kbp s PHE 206 Cb -0.02 -4.55 0.27 0.00 -0.34 0.00 0.00 43.02 38.39 3kbp s PHE 206 CO 0.85 -2.01 0.79 0.00 -1.46 0.00 0.00 175.22 173.39 3kbp n ALA 207 N 9.53 4.18 -0.33 11.12 0.00 0.75 -4.90 120.51 140.86 3kbp n ALA 207 Ca 0.06 -4.72 0.18 0.00 0.00 0.00 0.00 53.44 48.95 3kbp n ALA 207 Cb 0.49 -0.86 0.38 0.00 0.00 0.00 0.00 19.45 19.47 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 3.87 0.47 -1.00 0.00 0.11 -1.84 0.16 132.00 133.77 3kbp h PRO 208 Ca 0.18 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.41 3kbp h PRO 208 Cb 0.63 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.54 3kbp h PRO 208 CO 0.82 0.31 0.62 0.93 -0.21 0.00 0.00 178.00 180.48 3kbp h GLU 209 N 0.48 0.87 -0.53 1.05 3.07 -1.90 0.96 114.58 118.58 3kbp h GLU 209 Ca 0.64 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.31 3kbp h GLU 209 Cb 1.28 -0.20 -0.08 0.00 -0.84 0.00 0.00 28.75 28.91 3kbp h GLU 209 CO -0.52 0.57 0.12 0.44 -1.40 0.00 0.00 179.01 178.23 3kbp n ILE 210 N -4.67 2.68 -2.60 3.13 -5.35 -0.04 -4.92 119.36 107.58 3kbp n ILE 210 Ca 0.21 -1.90 -0.21 0.00 -0.27 0.00 0.00 62.75 60.57 3kbp n ILE 210 Cb 0.45 -0.32 0.00 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 -0.42 -5.97 -4.31 7.28 3.02 0.33 -4.91 115.26 110.29 3kbp n ASN 211 Ca 0.34 -0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 3kbp n ASN 211 Cb 1.18 -4.92 -0.14 0.00 -0.61 0.00 0.00 39.78 35.29 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 -5.26 3.24 -0.01 3.52 0.41 -0.67 -4.94 118.70 114.99 3kbp s GLU 212 Ca 0.10 -0.73 0.01 0.00 -0.41 0.00 0.00 54.97 53.94 3kbp s GLU 212 Cb -0.04 -3.11 0.02 0.00 -1.78 0.00 0.00 34.13 29.21 3kbp s GLU 212 CO 0.12 -0.29 0.81 0.25 -0.49 0.00 0.00 175.26 175.66 3kbp n THR 213 N 4.80 0.15 -3.49 3.63 -2.24 -1.26 -0.18 114.28 115.69 3kbp n THR 213 Ca -0.17 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 3kbp n THR 213 Cb 0.50 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.20 2.81 0.24 -0.78 2.12 -1.26 -4.94 118.70 116.70 3kbp s GLU 214 Ca 0.02 -1.38 -0.29 0.00 0.36 0.00 0.00 54.97 53.68 3kbp s GLU 214 Cb 0.02 -3.96 -0.15 0.00 0.26 0.00 0.00 34.13 30.29 3kbp s GLU 214 CO 0.00 -0.98 0.95 -2.30 -0.54 0.00 0.00 175.26 172.39 3kbp n PRO 215 N 5.07 1.03 -1.85 4.30 -0.02 -1.26 -2.48 135.00 139.79 3kbp n PRO 215 Ca -0.11 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 3kbp n PRO 215 Cb 0.43 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.46 -0.31 0.20 6.00 3.72 0.10 -4.96 117.46 122.68 3kbp n PHE 216 Ca 0.12 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.44 3kbp n PHE 216 Cb 0.29 -3.65 -0.04 0.00 -0.94 0.00 0.00 39.48 35.13 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 -0.53 -0.77 -1.08 3.64 -1.71 0.23 116.57 116.36 3kbp h LYS 217 Ca -0.45 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.07 3kbp h LYS 217 Cb 1.37 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.26 3kbp h LYS 217 CO 0.62 -0.35 0.51 -1.35 -2.27 0.00 0.00 179.45 176.60 3kbp h PRO 218 N -0.55 0.64 0.12 1.90 0.11 -1.89 -1.38 132.00 130.96 3kbp h PRO 218 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3kbp h PRO 218 Cb 0.43 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3kbp h PRO 218 CO 0.07 0.42 -0.06 0.35 -0.21 0.00 0.00 178.00 178.57 3kbp h PHE 219 N 0.66 -0.15 -0.70 0.65 3.57 -1.79 -2.19 116.94 116.98 3kbp h PHE 219 Ca 0.36 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3kbp h PHE 219 Cb 0.51 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 3kbp h PHE 219 CO -0.00 0.05 0.46 0.66 -2.23 0.00 0.00 178.31 177.25 3kbp h SER 220 N -0.33 0.66 -0.22 0.41 4.64 0.48 0.10 113.55 119.30 3kbp h SER 220 Ca -0.02 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 3kbp h SER 220 Cb 0.26 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3kbp h SER 220 CO 0.03 0.44 -0.44 1.88 -0.87 0.00 0.00 176.83 177.87 3kbp h TYR 221 N 0.76 0.95 0.12 4.77 0.05 -0.90 -3.33 116.97 119.39 3kbp h TYR 221 Ca 0.30 -0.30 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 3kbp h TYR 221 Cb 0.20 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3kbp h TYR 221 CO -0.00 1.08 -1.48 0.00 -1.05 0.00 0.00 178.16 176.70 3kbp h ARG 222 N 0.63 0.25 -5.02 4.88 3.08 -0.77 -3.45 114.38 113.97 3kbp h ARG 222 Ca 0.04 -0.42 -0.67 0.00 0.07 0.00 0.00 59.98 59.00 3kbp h ARG 222 Cb 1.00 0.16 -0.34 0.00 0.08 0.00 0.00 29.97 30.87 3kbp h ARG 222 CO 0.10 1.12 -0.82 0.71 -1.07 0.00 0.00 179.97 180.00 3kbp s TYR 223 N -2.62 2.87 0.16 3.04 2.02 0.29 -4.99 117.35 118.12 3kbp s TYR 223 Ca -0.08 -1.57 0.07 0.00 -0.37 0.00 0.00 57.07 55.13 3kbp s TYR 223 Cb 0.07 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3kbp s TYR 223 CO 0.86 -0.76 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.02 3kbp s HIS 224 N 1.31 2.78 0.06 2.71 3.76 -1.26 -4.53 115.29 120.11 3kbp s HIS 224 Ca 0.04 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 3kbp s HIS 224 Cb -0.14 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 3kbp s HIS 224 CO -0.10 0.50 -0.07 0.14 -0.85 0.00 0.00 174.74 174.36 3kbp s VAL 225 N -1.59 0.55 -1.42 -0.90 -7.23 -1.26 -4.94 120.40 103.61 3kbp s VAL 225 Ca 0.25 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 58.96 3kbp s VAL 225 Cb -0.10 -0.96 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 3kbp s VAL 225 CO 0.17 -0.57 2.63 -0.81 -0.31 0.00 0.00 175.10 176.21 3kbp n PRO 226 N 0.95 3.15 -0.03 4.82 -0.04 -1.26 -4.58 135.00 138.01 3kbp n PRO 226 Ca -0.19 -2.11 -0.08 0.00 -0.04 0.00 0.00 63.50 61.08 3kbp n PRO 226 Cb 0.57 -2.82 0.08 0.00 -0.04 0.00 0.00 33.50 31.29 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 5.56 0.77 0.00 0.54 -0.00 -1.91 -1.93 116.97 119.99 3kbp h TYR 227 Ca 0.73 -0.22 0.00 0.00 -0.00 0.00 0.00 58.73 59.24 3kbp h TYR 227 Cb 0.34 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 36.90 3kbp h TYR 227 CO 1.80 0.94 0.00 0.39 -0.00 0.00 0.00 178.16 181.29 3kbp n GLU 228 N -4.04 0.14 -0.15 0.10 4.71 -1.26 -2.33 120.64 117.81 3kbp n GLU 228 Ca -0.02 0.57 -0.10 0.00 -0.01 0.00 0.00 57.16 57.60 3kbp n GLU 228 Cb 0.52 -1.90 -0.01 0.00 -1.01 0.00 0.00 31.44 29.05 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 2.08 0.58 -3.02 0.62 0.00 -1.69 -3.40 119.26 114.42 3kbp h ALA 229 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kbp h ALA 229 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kbp h ALA 229 CO 0.00 0.32 0.00 0.43 0.00 0.00 0.00 179.25 180.00 3kbp n SER 230 N -4.46 0.00 -2.23 0.00 7.64 -0.98 -4.79 113.62 108.79 3kbp n SER 230 Ca -0.00 -0.34 -0.28 0.00 1.01 0.00 0.00 58.87 59.26 3kbp n SER 230 Cb 0.26 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.34 3.32 -2.20 1.43 3.00 -1.26 -4.97 117.38 116.37 3kbp n GLN 231 Ca 0.00 -4.00 -0.34 0.00 -0.01 0.00 0.00 57.00 52.65 3kbp n GLN 231 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 30.24 27.97 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 -3.03 5.69 -0.09 1.08 0.15 -1.16 -4.92 113.70 111.42 3kbp s SER 232 Ca 0.54 2.10 0.15 0.00 0.70 0.00 0.00 55.95 59.44 3kbp s SER 232 Cb 0.43 -2.57 0.51 0.00 -1.71 0.00 0.00 66.02 62.68 3kbp s SER 232 CO -0.05 -1.24 1.43 0.35 1.20 0.00 0.00 173.24 174.94 3kbp n THR 233 N -1.49 1.68 -3.63 6.45 -2.24 -1.26 -4.27 114.28 109.52 3kbp n THR 233 Ca 0.11 -1.35 -0.14 0.00 -2.27 0.00 0.00 64.05 60.41 3kbp n THR 233 Cb 0.51 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.27 -0.74 0.00 3.42 0.15 -1.26 -5.03 113.70 108.97 3kbp s SER 234 Ca 0.38 1.42 0.10 0.00 0.70 0.00 0.00 55.95 58.55 3kbp s SER 234 Cb 0.26 1.43 0.43 0.00 -1.71 0.00 0.00 66.02 66.43 3kbp s SER 234 CO 0.16 -0.24 1.31 -0.81 1.20 0.00 0.00 173.24 174.86 3kbp n PRO 235 N 2.70 0.01 0.10 5.44 -0.04 -1.26 -2.97 135.00 138.97 3kbp n PRO 235 Ca -0.14 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 3kbp n PRO 235 Cb 0.55 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.49 0.76 -3.72 0.54 3.72 -1.26 -4.74 117.46 111.28 3kbp n PHE 236 Ca 0.03 0.24 -0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3kbp n PHE 236 Cb 0.12 -0.90 -0.12 0.00 -0.94 0.00 0.00 39.48 37.64 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 -3.15 -0.45 0.07 1.38 -2.14 -1.16 -3.77 118.94 109.72 3kbp s TRP 237 Ca 0.09 1.00 -0.06 0.00 2.66 0.00 0.00 56.10 59.79 3kbp s TRP 237 Cb 0.12 0.14 0.02 0.00 -3.10 0.00 0.00 33.47 30.65 3kbp s TRP 237 CO 0.51 -0.28 0.29 2.48 -2.66 0.00 0.00 176.95 177.30 3kbp n TYR 238 N 4.20 -0.93 -3.89 1.66 4.11 -0.66 -4.70 117.16 116.95 3kbp n TYR 238 Ca -0.24 -0.41 -0.09 0.00 -0.00 0.00 0.00 57.90 57.16 3kbp n TYR 238 Cb 0.54 0.20 -0.07 0.00 -0.00 0.00 0.00 39.34 40.01 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 -1.70 0.05 -0.03 9.48 1.04 -1.26 -0.19 113.70 121.10 3kbp s SER 239 Ca 0.06 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 3kbp s SER 239 Cb -0.01 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3kbp s SER 239 CO 0.02 -0.82 0.34 0.27 0.98 0.00 0.00 173.24 174.02 3kbp s ILE 240 N -3.91 0.05 -0.02 -1.02 -4.36 -0.45 -4.49 121.20 107.00 3kbp s ILE 240 Ca 0.11 -0.40 0.02 0.00 -0.26 0.00 0.00 60.65 60.13 3kbp s ILE 240 Cb 0.04 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 43.09 3kbp s ILE 240 CO -0.05 -0.22 -0.06 -0.54 0.24 0.00 0.00 174.94 174.31 3kbp s LYS 241 N -1.16 2.63 -0.22 0.37 1.02 0.11 -0.78 119.74 121.71 3kbp s LYS 241 Ca -0.12 -0.66 -0.16 0.00 0.02 0.00 0.00 55.97 55.05 3kbp s LYS 241 Cb -0.05 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 3kbp s LYS 241 CO 0.04 0.62 0.55 0.50 -0.92 0.00 0.00 175.35 176.14 3kbp s ARG 242 N -1.25 0.59 4.54 1.68 3.52 -0.92 -4.07 118.95 123.04 3kbp s ARG 242 Ca 0.16 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 3kbp s ARG 242 Cb -0.11 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 3kbp s ARG 242 CO 0.06 -0.12 0.00 0.00 -0.81 0.00 0.00 175.30 174.43 3kbp n ALA 243 N 3.56 0.00 0.70 6.12 0.00 -1.26 -1.02 120.51 128.61 3kbp n ALA 243 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.34 3kbp n ALA 243 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 6.43 2.09 -4.93 0.00 3.41 -1.24 -2.33 113.62 117.06 3kbp n SER 244 Ca 0.00 -1.55 -0.28 0.00 -0.26 0.00 0.00 58.87 56.79 3kbp n SER 244 Cb 0.00 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.57 3.94 -0.18 7.33 0.00 -0.19 -2.54 121.76 128.55 3kbp s ALA 245 Ca 0.17 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3kbp s ALA 245 Cb 0.13 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3kbp s ALA 245 CO 0.28 0.59 -0.14 -1.58 0.00 0.00 0.00 175.76 174.91 3kbp s HIS 246 N -1.71 2.83 -0.13 0.00 2.46 0.15 -2.17 115.29 116.72 3kbp s HIS 246 Ca 0.36 -1.22 0.01 0.00 0.47 0.00 0.00 55.06 54.67 3kbp s HIS 246 Cb -0.12 -1.96 -0.01 0.00 -0.13 0.00 0.00 32.58 30.37 3kbp s HIS 246 CO 0.28 -0.61 -0.15 0.42 -2.47 0.00 0.00 174.74 172.21 3kbp s ILE 247 N 1.17 2.78 -0.11 0.89 1.01 0.04 -1.38 121.20 125.59 3kbp s ILE 247 Ca 0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 3kbp s ILE 247 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3kbp s ILE 247 CO -0.06 0.53 -0.11 -0.63 0.00 0.00 0.00 174.94 174.67 3kbp s ILE 248 N 0.50 3.26 -0.16 2.92 1.01 -0.61 -1.33 121.20 126.78 3kbp s ILE 248 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3kbp s ILE 248 Cb -0.16 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 3kbp s ILE 248 CO 0.05 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.69 3kbp s VAL 249 N 0.05 2.73 0.45 2.92 1.01 0.74 -0.55 120.40 127.76 3kbp s VAL 249 Ca -0.04 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3kbp s VAL 249 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3kbp s VAL 249 CO 0.04 0.51 0.23 -0.76 0.00 0.00 0.00 175.10 175.12 3kbp s LEU 250 N 0.80 2.97 -0.26 3.92 1.43 -0.39 -1.65 118.68 125.50 3kbp s LEU 250 Ca -0.05 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 3kbp s LEU 250 Cb -0.15 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.77 3kbp s LEU 250 CO 0.00 -0.71 -0.00 -0.55 0.23 0.00 0.00 176.35 175.31 3kbp s SER 251 N -4.01 3.92 0.53 2.29 0.15 -1.25 -4.65 113.70 110.68 3kbp s SER 251 Ca 0.37 -1.35 0.27 0.00 0.70 0.00 0.00 55.95 55.93 3kbp s SER 251 Cb 0.02 -1.13 1.48 0.00 -1.71 0.00 0.00 66.02 64.68 3kbp s SER 251 CO 0.21 -0.29 2.10 0.28 1.20 0.00 0.00 173.24 176.73 3kbp h SER 252 N 7.96 0.00 -0.55 5.45 0.02 -1.93 -2.03 113.55 122.48 3kbp h SER 252 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3kbp h SER 252 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3kbp h SER 252 CO 0.43 0.10 0.00 -1.22 -1.14 0.00 0.00 176.83 175.00 3kbp n TYR 253 N -3.73 0.73 -3.09 3.45 4.01 -1.26 -4.88 117.16 112.39 3kbp n TYR 253 Ca -0.02 -0.50 -0.02 0.00 -0.16 0.00 0.00 57.90 57.20 3kbp n TYR 253 Cb 0.21 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.10 0.38 -4.89 7.72 7.64 -0.76 -5.11 113.62 119.69 3kbp n SER 254 Ca 0.18 -1.17 -0.33 0.00 1.01 0.00 0.00 58.87 58.56 3kbp n SER 254 Cb 0.53 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.08 3.92 -0.04 -0.43 0.00 -1.26 -5.00 121.76 116.88 3kbp s ALA 255 Ca 0.06 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3kbp s ALA 255 Cb -0.00 -1.83 0.08 0.00 0.00 0.00 0.00 23.12 21.37 3kbp s ALA 255 CO 0.04 0.76 0.94 2.48 0.00 0.00 0.00 175.76 179.97 3kbp n TYR 256 N 0.81 0.00 -0.76 0.00 0.18 -1.26 -4.00 117.16 112.14 3kbp n TYR 256 Ca -0.10 -0.44 -0.32 0.00 1.88 0.00 0.00 57.90 58.92 3kbp n TYR 256 Cb 0.52 -0.07 0.14 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 -0.56 -1.71 3.67 -7.48 0.00 -1.26 -4.53 105.19 93.31 3kbp n GLY 257 Ca 0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.84 4.23 0.00 1.61 3.52 -1.26 -1.73 118.95 121.48 3kbp s ARG 258 Ca 0.59 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 3kbp s ARG 258 Cb -0.21 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 3kbp s ARG 258 CO 0.66 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3kbp n GLY 259 N 3.79 3.11 3.77 8.12 0.00 -1.26 -5.06 105.19 117.66 3kbp n GLY 259 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.81 3.35 0.20 2.61 -4.23 -0.70 -4.72 115.64 109.33 3kbp s THR 260 Ca 0.00 0.44 -0.10 0.00 -1.18 0.00 0.00 61.69 60.85 3kbp s THR 260 Cb 0.00 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.01 3kbp s THR 260 CO 0.00 -0.57 1.81 -0.65 -0.54 0.00 0.00 174.62 174.67 3kbp h PRO 261 N -1.12 0.66 -0.33 3.99 0.11 -1.87 0.12 132.00 133.56 3kbp h PRO 261 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3kbp h PRO 261 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kbp h PRO 261 CO 0.52 0.44 0.11 0.37 -0.21 0.00 0.00 178.00 179.23 3kbp h GLN 262 N 0.68 0.51 0.13 1.05 4.15 -1.91 0.11 115.11 119.82 3kbp h GLN 262 Ca 0.28 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.62 3kbp h GLN 262 Cb 0.15 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 3kbp h GLN 262 CO -0.16 0.53 -0.33 -0.92 -1.93 0.00 0.00 178.83 176.01 3kbp h TYR 263 N 0.38 -0.91 -0.37 3.99 5.03 -1.55 -0.43 116.97 123.11 3kbp h TYR 263 Ca 0.11 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.52 3kbp h TYR 263 Cb 0.23 0.38 -0.08 0.00 1.55 0.00 0.00 36.73 38.82 3kbp h TYR 263 CO 0.00 -0.44 -0.14 1.15 -1.32 0.00 0.00 178.16 177.42 3kbp h THR 264 N -0.56 0.54 0.45 1.81 2.02 -0.46 -2.37 112.91 114.33 3kbp h THR 264 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3kbp h THR 264 Cb 0.59 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3kbp h THR 264 CO -0.19 0.00 -0.23 -0.25 0.37 0.00 0.00 175.52 175.22 3kbp h TRP 265 N -0.06 -0.59 -0.94 3.16 7.01 -0.34 -2.97 115.95 121.22 3kbp h TRP 265 Ca 0.18 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.34 3kbp h TRP 265 Cb 0.34 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.52 3kbp h TRP 265 CO -0.37 -0.36 0.60 1.25 -2.79 0.00 0.00 178.44 176.77 3kbp h LEU 266 N -0.62 0.66 0.30 0.65 5.85 -0.81 0.66 115.31 122.00 3kbp h LEU 266 Ca -0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kbp h LEU 266 Cb 0.48 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3kbp h LEU 266 CO 0.09 0.29 -0.15 0.50 -0.34 0.00 0.00 178.44 178.83 3kbp h LYS 267 N 0.67 -0.40 -0.77 1.25 3.64 -1.31 -0.74 116.57 118.92 3kbp h LYS 267 Ca 0.50 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 60.08 3kbp h LYS 267 Cb 0.87 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.67 3kbp h LYS 267 CO -0.26 -0.26 0.23 -0.22 -2.27 0.00 0.00 179.45 176.67 3kbp h LYS 268 N -0.41 0.31 -0.71 1.90 1.63 -1.33 -0.45 116.57 117.51 3kbp h LYS 268 Ca -0.04 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3kbp h LYS 268 Cb 0.32 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3kbp h LYS 268 CO 0.06 0.20 0.46 1.49 -3.45 0.00 0.00 179.45 178.21 3kbp h GLU 269 N 0.32 0.88 -0.69 1.90 4.57 -0.75 -1.36 114.58 119.44 3kbp h GLU 269 Ca 0.44 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.63 3kbp h GLU 269 Cb 0.76 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 3kbp h GLU 269 CO -0.50 0.58 0.45 -0.07 -1.18 0.00 0.00 179.01 178.29 3kbp h LEU 270 N 0.90 0.63 -1.19 1.64 3.38 0.48 0.28 115.31 121.44 3kbp h LEU 270 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 3kbp h LEU 270 Cb -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kbp h LEU 270 CO -0.09 0.41 -0.13 0.03 0.09 0.00 0.00 178.44 178.75 3kbp h ARG 271 N 0.72 0.00 -0.01 1.13 3.08 -1.02 -2.89 114.38 115.39 3kbp h ARG 271 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3kbp h ARG 271 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kbp h ARG 271 CO -0.09 0.13 -0.03 1.63 -1.07 0.00 0.00 179.97 180.53 3kbp n LYS 272 N -3.26 1.07 -2.47 0.04 5.02 0.98 -4.88 118.16 114.65 3kbp n LYS 272 Ca 0.01 -0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 55.55 3kbp n LYS 272 Cb 0.39 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.16 3.90 -0.33 -0.18 1.01 -1.09 -5.01 120.40 116.53 3kbp s VAL 273 Ca 0.39 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.93 3kbp s VAL 273 Cb 0.21 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.70 3kbp s VAL 273 CO 0.40 0.22 0.04 -0.54 0.00 0.00 0.00 175.10 175.22 3kbp s LYS 274 N 0.09 1.80 0.59 2.72 1.02 -1.26 -4.97 119.74 119.72 3kbp s LYS 274 Ca 0.52 -1.71 0.38 0.00 0.02 0.00 0.00 55.97 55.18 3kbp s LYS 274 Cb -0.30 -3.22 1.78 0.00 -0.52 0.00 0.00 37.83 35.57 3kbp s LYS 274 CO 0.33 -0.87 2.13 0.00 -0.92 0.00 0.00 175.35 176.02 3kbp h ARG 275 N 7.76 0.00 0.00 1.68 2.47 -1.92 0.21 114.38 124.57 3kbp h ARG 275 Ca -0.10 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3kbp h ARG 275 Cb 1.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3kbp h ARG 275 CO 0.54 0.00 -0.02 0.66 0.56 0.00 0.00 179.97 181.71 3kbp h SER 276 N 0.00 0.00 0.00 7.04 4.64 -1.95 -2.80 113.55 120.48 3kbp h SER 276 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3kbp h SER 276 Cb 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3kbp h SER 276 CO 0.00 0.02 -2.05 1.21 -0.87 0.00 0.00 176.83 175.14 3kbp n GLU 277 N -3.11 0.53 -3.92 4.77 2.13 -0.12 -4.52 120.64 116.39 3kbp n GLU 277 Ca 0.02 0.23 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 3kbp n GLU 277 Cb 0.38 -1.40 -0.14 0.00 0.27 0.00 0.00 31.44 30.56 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 -2.56 2.46 0.25 6.31 -4.23 0.54 -2.97 115.64 115.44 3kbp s THR 278 Ca -0.33 -3.25 -0.03 0.00 -1.18 0.00 0.00 61.69 56.90 3kbp s THR 278 Cb 0.11 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.47 3kbp s THR 278 CO 0.44 -0.81 1.77 1.55 -0.54 0.00 0.00 174.62 177.03 3kbp h PRO 279 N 6.51 0.62 -5.67 3.99 0.13 -1.21 -3.37 132.00 132.99 3kbp h PRO 279 Ca -0.07 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.41 3kbp h PRO 279 Cb 0.89 -0.14 -0.11 0.00 0.13 0.00 0.00 31.00 31.78 3kbp h PRO 279 CO 0.67 0.41 0.31 -1.58 -0.23 0.00 0.00 178.00 177.58 3kbp s TRP 280 N -6.00 3.22 -0.35 1.56 0.52 -1.06 -4.86 118.94 111.98 3kbp s TRP 280 Ca -0.12 0.77 -0.07 0.00 0.02 0.00 0.00 56.10 56.70 3kbp s TRP 280 Cb 0.21 -3.11 0.04 0.00 -1.15 0.00 0.00 33.47 29.46 3kbp s TRP 280 CO 0.78 -0.51 0.13 -1.17 0.02 0.00 0.00 176.95 176.20 3kbp s LEU 281 N 2.81 4.42 0.02 2.99 2.96 -1.26 0.35 118.68 130.97 3kbp s LEU 281 Ca 0.30 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.12 3kbp s LEU 281 Cb -0.15 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3kbp s LEU 281 CO 0.12 -0.35 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.06 3kbp s ILE 282 N 1.43 3.31 0.02 6.68 1.01 -0.48 -1.65 121.20 131.51 3kbp s ILE 282 Ca -0.01 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3kbp s ILE 282 Cb -0.20 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 3kbp s ILE 282 CO 0.03 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.45 3kbp s VAL 283 N -0.97 1.61 0.08 2.92 1.01 -1.00 -1.58 120.40 122.47 3kbp s VAL 283 Ca 0.16 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3kbp s VAL 283 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3kbp s VAL 283 CO 0.07 0.31 -0.25 -0.76 0.00 0.00 0.00 175.10 174.47 3kbp s LEU 284 N -0.87 2.23 0.08 3.92 1.43 0.29 -1.88 118.68 123.88 3kbp s LEU 284 Ca 0.07 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 3kbp s LEU 284 Cb -0.08 -1.15 0.08 0.00 0.03 0.00 0.00 46.19 45.06 3kbp s LEU 284 CO 0.01 0.19 0.92 0.00 0.23 0.00 0.00 176.35 177.70 3kbp s MET 285 N -1.54 1.03 -0.08 1.70 0.23 -0.93 -1.26 119.30 118.45 3kbp s MET 285 Ca 0.11 -0.50 -0.05 0.00 -1.03 0.00 0.00 55.69 54.23 3kbp s MET 285 Cb -0.10 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 3kbp s MET 285 CO 0.03 -0.46 -0.09 1.25 -2.03 0.00 0.00 175.02 173.72 3kbp h HIS 286 N 2.00 0.00 -3.11 3.16 2.76 -1.82 -3.28 115.15 114.86 3kbp h HIS 286 Ca -0.24 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.38 3kbp h HIS 286 Cb 1.24 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 3kbp h HIS 286 CO 0.32 0.00 0.69 0.45 -1.30 0.00 0.00 177.93 178.09 3kbp s SER 287 N -4.72 7.09 0.11 3.26 0.15 -1.26 -0.17 113.70 118.15 3kbp s SER 287 Ca -0.07 1.72 -0.30 0.00 0.70 0.00 0.00 55.95 58.00 3kbp s SER 287 Cb 0.01 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 3kbp s SER 287 CO 0.11 -0.57 1.07 -2.16 1.20 0.00 0.00 173.24 172.89 3kbp s PRO 288 N 2.32 4.57 0.21 5.44 0.04 -1.26 -4.84 135.00 141.47 3kbp s PRO 288 Ca 0.54 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 3kbp s PRO 288 Cb -0.23 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 31.13 3kbp s PRO 288 CO 0.20 0.01 1.55 -0.07 0.04 0.00 0.00 177.00 178.73 3kbp h LEU 289 N 5.85 0.64 -8.04 -3.56 3.38 -1.95 -3.31 115.31 108.33 3kbp h LEU 289 Ca -0.43 -0.30 -0.68 0.00 0.09 0.00 0.00 57.88 56.56 3kbp h LEU 289 Cb 1.21 -0.18 -0.33 0.00 0.09 0.00 0.00 40.66 41.45 3kbp h LEU 289 CO 0.75 1.00 -0.74 -0.31 0.09 0.00 0.00 178.44 179.22 3kbp s TYR 290 N -4.18 3.19 -0.10 1.13 2.02 -1.26 -4.62 117.35 113.52 3kbp s TYR 290 Ca -0.08 -1.85 -0.05 0.00 -0.37 0.00 0.00 57.07 54.72 3kbp s TYR 290 Cb 0.12 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3kbp s TYR 290 CO 0.83 -0.79 0.24 1.21 -1.57 0.00 0.00 175.55 175.47 3kbp s ASN 291 N 1.25 -0.21 -0.03 2.29 3.04 -1.26 -4.94 114.94 115.07 3kbp s ASN 291 Ca -0.04 0.52 0.13 0.00 0.04 0.00 0.00 52.86 53.51 3kbp s ASN 291 Cb -0.19 0.41 0.39 0.00 -1.54 0.00 0.00 41.25 40.33 3kbp s ASN 291 CO -0.03 -0.17 1.33 -1.54 -3.04 0.00 0.00 177.10 173.65 3kbp n SER 292 N 4.31 3.27 -4.93 -4.21 3.41 -1.26 -4.56 113.62 109.64 3kbp n SER 292 Ca -0.24 -2.17 -0.25 0.00 -0.26 0.00 0.00 58.87 55.95 3kbp n SER 292 Cb 0.53 -0.32 0.00 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 -1.30 3.44 0.07 7.33 1.51 -1.26 0.36 117.35 127.50 3kbp s TYR 293 Ca 0.30 0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 56.72 3kbp s TYR 293 Cb 0.18 -2.20 -0.16 0.00 -0.11 0.00 0.00 41.96 39.67 3kbp s TYR 293 CO 0.17 -0.21 1.28 -0.91 -1.11 0.00 0.00 175.55 174.78 3kbp h ASN 294 N 0.41 0.74 -2.55 2.29 2.35 -1.56 -3.31 115.58 113.93 3kbp h ASN 294 Ca -0.48 -0.61 -0.53 0.00 -0.55 0.00 0.00 56.30 54.13 3kbp h ASN 294 Cb 1.22 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 39.40 3kbp h ASN 294 CO 0.61 1.22 1.10 -2.28 -1.65 0.00 0.00 177.43 176.43 3kbp s HIS 295 N -3.81 2.00 -1.20 1.19 2.46 -1.26 -1.10 115.29 113.57 3kbp s HIS 295 Ca -0.12 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.42 3kbp s HIS 295 Cb 0.07 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 3kbp s HIS 295 CO 0.85 -4.58 0.00 0.72 -2.47 0.00 0.00 174.74 169.26 3kbp n HIS 296 N 6.30 0.00 -1.68 3.88 8.25 -1.26 -4.91 115.22 125.80 3kbp n HIS 296 Ca 0.18 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.18 3kbp n HIS 296 Cb 0.40 -2.38 -0.04 0.00 1.12 0.00 0.00 29.99 29.09 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 -2.47 2.35 -1.67 4.41 7.35 -0.25 -2.32 117.46 124.86 3kbp n PHE 297 Ca -0.11 0.13 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 3kbp n PHE 297 Cb 0.47 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.67 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 4.62 -0.76 0.10 -4.13 2.81 -1.26 -4.93 117.12 113.57 3kbp n MET 298 Ca 0.19 0.71 -0.18 0.00 -1.81 0.00 0.00 57.70 56.61 3kbp n MET 298 Cb 0.30 -4.71 -0.12 0.00 -0.71 0.00 0.00 33.22 27.99 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 0.41 0.00 0.03 5.08 -1.76 -3.22 114.58 115.12 3kbp h GLU 299 Ca -0.23 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 3kbp h GLU 299 Cb 0.88 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3kbp h GLU 299 CO 0.30 1.25 0.00 0.41 -1.00 0.00 0.00 179.01 179.97 3kbp n GLY 300 N 1.39 -0.66 0.32 -3.84 0.00 -1.25 -3.57 105.19 97.58 3kbp n GLY 300 Ca -0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.23 -0.05 1.61 4.39 -1.81 0.37 114.58 118.85 3kbp h GLU 301 Ca 0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3kbp h GLU 301 Cb 0.10 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3kbp h GLU 301 CO 0.00 -0.16 -0.14 0.00 -1.16 0.00 0.00 179.01 177.56 3kbp h ALA 302 N -0.33 -0.50 -0.16 3.43 0.00 -1.85 0.18 119.26 120.03 3kbp h ALA 302 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kbp h ALA 302 Cb 0.41 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kbp h ALA 302 CO -0.46 -0.56 0.29 1.98 0.00 0.00 0.00 179.25 180.49 3kbp h MET 303 N -0.13 0.00 0.33 0.00 1.85 -1.77 -1.07 114.93 114.14 3kbp h MET 303 Ca 0.01 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 3kbp h MET 303 Cb 0.16 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.20 3kbp h MET 303 CO -0.12 0.00 -0.16 -0.09 -0.40 0.00 0.00 176.91 176.14 3kbp h ARG 304 N 0.00 -0.43 0.00 0.39 2.43 0.19 -1.11 114.38 115.86 3kbp h ARG 304 Ca 0.08 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kbp h ARG 304 Cb 0.65 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3kbp h ARG 304 CO -0.00 -0.10 0.44 1.79 -1.51 0.00 0.00 179.97 180.59 3kbp h THR 305 N -0.88 0.00 0.00 0.20 1.35 0.60 -2.20 112.91 111.98 3kbp h THR 305 Ca -0.05 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.45 3kbp h THR 305 Cb 0.53 0.45 -0.07 0.00 -1.73 0.00 0.00 68.15 67.32 3kbp h THR 305 CO 0.07 0.00 -2.37 0.29 -0.25 0.00 0.00 175.52 173.26 3kbp n LYS 306 N -2.57 0.72 -0.00 4.72 4.01 -1.07 -4.81 118.16 119.16 3kbp n LYS 306 Ca -0.01 0.07 0.02 0.00 -0.51 0.00 0.00 58.31 57.88 3kbp n LYS 306 Cb 0.47 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.47 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 -2.99 0.00 -0.06 2.13 3.72 -0.44 -4.75 117.46 115.07 3kbp n PHE 307 Ca -0.38 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 56.93 3kbp n PHE 307 Cb 1.04 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.54 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 -0.30 -0.61 -1.08 4.81 -1.62 -1.28 114.58 114.49 3kbp h GLU 308 Ca 0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3kbp h GLU 308 Cb 0.11 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.45 3kbp h GLU 308 CO 0.00 -0.20 -0.03 0.00 -0.73 0.00 0.00 179.01 178.05 3kbp h ALA 309 N 0.61 0.56 -0.34 2.92 0.00 -1.85 0.10 119.26 121.26 3kbp h ALA 309 Ca 0.13 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3kbp h ALA 309 Cb 0.53 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3kbp h ALA 309 CO -0.44 -0.40 0.06 -1.49 0.00 0.00 0.00 179.25 176.97 3kbp h TRP 310 N 0.09 0.09 -0.43 0.00 4.06 -1.57 0.71 115.95 118.90 3kbp h TRP 310 Ca 0.31 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.33 3kbp h TRP 310 Cb 0.51 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 3kbp h TRP 310 CO -0.39 0.00 0.17 0.74 -3.56 0.00 0.00 178.44 175.41 3kbp h PHE 311 N 0.17 0.31 -0.09 0.49 0.04 -0.03 0.17 116.94 118.01 3kbp h PHE 311 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3kbp h PHE 311 Cb 0.19 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3kbp h PHE 311 CO -0.19 0.13 0.02 0.28 -0.60 0.00 0.00 178.31 177.95 3kbp h VAL 312 N 0.36 1.21 -0.92 -0.55 2.07 -0.07 -1.32 116.25 117.03 3kbp h VAL 312 Ca 0.20 -0.66 0.14 0.00 0.82 0.00 0.00 66.70 67.20 3kbp h VAL 312 Cb 0.16 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 3kbp h VAL 312 CO -0.18 0.19 0.53 0.50 0.02 0.00 0.00 177.57 178.63 3kbp h LYS 313 N -0.08 0.75 -0.18 1.57 3.64 0.96 -1.14 116.57 122.08 3kbp h LYS 313 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kbp h LYS 313 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3kbp h LYS 313 CO 0.00 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.34 3kbp n TYR 314 N -4.77 0.23 -3.51 1.91 4.02 0.56 -4.96 117.16 110.64 3kbp n TYR 314 Ca 0.18 -0.11 -0.19 0.00 -0.01 0.00 0.00 57.90 57.77 3kbp n TYR 314 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.76 -6.75 -1.93 -0.72 5.02 -0.43 -4.93 118.16 109.18 3kbp n LYS 315 Ca 0.17 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.87 3kbp n LYS 315 Cb 0.45 -5.80 -0.01 0.00 -0.02 0.00 0.00 35.03 29.65 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 -3.38 2.37 -0.00 -0.18 -7.23 -0.71 -4.73 120.40 106.54 3kbp s VAL 316 Ca 0.16 0.35 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 3kbp s VAL 316 Cb -0.07 -3.22 -0.09 0.00 0.56 0.00 0.00 36.38 33.56 3kbp s VAL 316 CO 0.74 0.07 0.84 0.44 -0.31 0.00 0.00 175.10 176.89 3kbp h ASP 317 N 3.85 -0.52 -3.23 4.85 3.32 -1.67 -3.17 116.42 119.85 3kbp h ASP 317 Ca -0.49 0.02 -0.45 0.00 0.02 0.00 0.00 57.03 56.13 3kbp h ASP 317 Cb 1.23 0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.77 3kbp h ASP 317 CO 0.70 -0.21 -0.68 -0.69 -1.72 0.00 0.00 179.24 176.63 3kbp s VAL 318 N -3.68 1.50 -0.15 -1.35 1.01 -1.24 -1.34 120.40 115.14 3kbp s VAL 318 Ca -0.09 -2.12 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 3kbp s VAL 318 Cb 0.01 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 34.12 3kbp s VAL 318 CO 0.27 -0.37 0.18 -0.69 0.00 0.00 0.00 175.10 174.48 3kbp s VAL 319 N -3.11 -0.26 -0.12 2.92 1.01 -0.68 -2.38 120.40 117.77 3kbp s VAL 319 Ca 0.27 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 3kbp s VAL 319 Cb 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3kbp s VAL 319 CO 0.10 -0.07 0.12 -0.36 0.00 0.00 0.00 175.10 174.89 3kbp s PHE 320 N 2.29 3.51 0.25 5.22 0.08 -0.79 -0.91 117.98 127.64 3kbp s PHE 320 Ca 0.04 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.57 3kbp s PHE 320 Cb -0.14 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 3kbp s PHE 320 CO -0.09 0.66 0.20 0.00 -0.10 0.00 0.00 175.22 175.89 3kbp s ALA 321 N -0.90 1.42 0.00 5.36 0.00 -0.83 -2.18 121.76 124.63 3kbp s ALA 321 Ca 0.14 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3kbp s ALA 321 Cb -0.12 1.42 0.00 0.00 0.00 0.00 0.00 23.12 24.42 3kbp s ALA 321 CO 0.03 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3kbp n GLY 322 N -0.41 3.50 4.41 0.00 0.00 0.76 -0.02 105.19 113.42 3kbp n GLY 322 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.88 1.61 -0.00 -1.23 -4.36 115.22 107.36 3kbp n HIS 323 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 3kbp n HIS 323 Cb 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 29.99 29.81 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 -0.13 3.07 -0.57 3.57 1.01 -1.26 -4.95 120.40 121.14 3kbp s VAL 324 Ca 0.00 -1.53 -0.27 0.00 0.00 0.00 0.00 61.98 60.18 3kbp s VAL 324 Cb 0.00 -2.84 -0.27 0.00 0.00 0.00 0.00 36.38 33.27 3kbp s VAL 324 CO 0.00 -0.24 1.83 1.41 0.00 0.00 0.00 175.10 178.11 3kbp n HIS 325 N 4.62 0.89 -3.94 5.22 -0.00 -1.21 -3.32 115.22 117.48 3kbp n HIS 325 Ca -0.10 -0.74 0.01 0.00 -0.00 0.00 0.00 57.72 56.88 3kbp n HIS 325 Cb 0.43 -1.65 0.00 0.00 -0.00 0.00 0.00 29.99 28.78 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 12.43 -1.25 -2.54 -1.41 0.00 -1.24 -0.04 120.51 126.47 3kbp n ALA 326 Ca 0.46 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 3kbp n ALA 326 Cb 0.44 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.46 1.77 -0.14 0.00 5.04 0.14 -3.45 117.35 118.25 3kbp s TYR 327 Ca 0.10 -0.43 -0.30 0.00 -2.44 0.00 0.00 57.07 54.01 3kbp s TYR 327 Cb -0.00 -0.96 0.11 0.00 0.35 0.00 0.00 41.96 41.46 3kbp s TYR 327 CO -0.01 0.21 0.90 -2.00 -1.34 0.00 0.00 175.55 173.32 3kbp s GLU 328 N -2.01 0.73 0.04 4.97 2.12 -1.12 -0.92 118.70 122.51 3kbp s GLU 328 Ca 0.07 0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.67 3kbp s GLU 328 Cb -0.09 0.34 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 3kbp s GLU 328 CO 0.04 -0.21 -0.08 0.50 -0.54 0.00 0.00 175.26 174.97 3kbp s ARG 329 N -0.97 0.57 0.40 4.30 3.52 0.66 -1.83 118.95 125.61 3kbp s ARG 329 Ca -0.04 -0.71 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 3kbp s ARG 329 Cb -0.01 -0.40 -0.06 0.00 -1.56 0.00 0.00 34.95 32.92 3kbp s ARG 329 CO 0.03 0.08 0.03 -1.12 -0.81 0.00 0.00 175.30 173.52 3kbp s SER 330 N -1.40 3.42 0.39 -2.12 0.01 -1.01 0.16 113.70 113.15 3kbp s SER 330 Ca -0.07 -1.44 -0.13 0.00 1.31 0.00 0.00 55.95 55.63 3kbp s SER 330 Cb -0.09 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.96 3kbp s SER 330 CO 0.01 -0.59 0.78 -1.61 0.41 0.00 0.00 173.24 172.24 3kbp s GLU 331 N -3.79 3.88 -0.17 12.44 0.41 0.61 -4.58 118.70 127.49 3kbp s GLU 331 Ca 0.30 0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 3kbp s GLU 331 Cb 0.08 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 30.01 3kbp s GLU 331 CO 0.15 0.01 1.74 1.03 -0.49 0.00 0.00 175.26 177.70 3kbp s ARG 332 N -3.56 3.78 -0.01 1.61 0.52 -1.26 -4.67 118.95 115.36 3kbp s ARG 332 Ca 0.53 1.88 -0.07 0.00 -0.52 0.00 0.00 55.73 57.55 3kbp s ARG 332 Cb -0.10 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.28 3kbp s ARG 332 CO 0.26 -1.32 0.14 0.08 0.02 0.00 0.00 175.30 174.48 3kbp s VAL 333 N 5.42 0.06 0.41 3.52 1.01 -1.25 -1.97 120.40 127.60 3kbp s VAL 333 Ca 0.78 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3kbp s VAL 333 Cb -0.29 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3kbp s VAL 333 CO 0.32 -0.28 0.07 -0.94 0.00 0.00 0.00 175.10 174.27 3kbp s SER 334 N -0.98 3.08 -0.40 3.32 1.04 -0.76 -4.71 113.70 114.28 3kbp s SER 334 Ca -0.11 -1.56 0.05 0.00 0.48 0.00 0.00 55.95 54.82 3kbp s SER 334 Cb -0.06 0.26 0.32 0.00 0.10 0.00 0.00 66.02 66.64 3kbp s SER 334 CO 0.01 -0.78 1.23 -3.20 0.98 0.00 0.00 173.24 171.49 3kbp n ASN 335 N -1.09 -1.86 -1.28 7.02 2.85 -1.26 -1.89 115.26 117.74 3kbp n ASN 335 Ca -0.08 -2.88 -0.07 0.00 -0.11 0.00 0.00 54.58 51.45 3kbp n ASN 335 Cb 0.66 1.56 0.18 0.00 1.24 0.00 0.00 39.78 43.42 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 0.30 2.61 0.08 -1.44 -5.35 -1.26 -4.61 119.36 109.69 3kbp n ILE 336 Ca -0.00 -2.87 0.06 0.00 -0.27 0.00 0.00 62.75 59.66 3kbp n ILE 336 Cb 0.73 -0.41 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.09 2.61 -1.71 -1.28 0.00 -1.26 -5.01 120.51 112.77 3kbp n ALA 337 Ca 0.36 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 3kbp n ALA 337 Cb 1.03 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.81 2.47 -2.70 0.00 9.36 -1.00 -4.79 117.16 118.69 3kbp n TYR 338 Ca -0.01 0.39 -0.07 0.00 3.32 0.00 0.00 57.90 61.53 3kbp n TYR 338 Cb 0.29 -2.50 0.04 0.00 -0.63 0.00 0.00 39.34 36.53 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 1.70 1.46 0.00 2.98 4.76 -1.26 -5.05 118.16 122.75 3kbp n LYS 339 Ca 0.09 -3.40 0.00 0.00 -2.87 0.00 0.00 58.31 52.13 3kbp n LYS 339 Cb 0.35 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 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 -0.26 0.00 0.99 -0.18 2.08 -1.26 -3.66 119.36 117.07 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 0.47 0.00 -0.75 0.00 0.00 39.64 40.18 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 0.02 1.65 1.39 -2.24 -1.26 -4.01 114.28 109.83 3kbp n THR 341 Ca 0.00 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3kbp n THR 341 Cb 0.00 -0.22 0.21 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.52 0.64 0.00 3.42 5.75 -1.24 -4.91 116.55 118.68 3kbp n ASP 342 Ca 0.06 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 3kbp n ASP 342 Cb 0.34 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.77 0.00 2.15 6.12 0.00 -1.26 -4.82 105.19 108.15 3kbp n GLY 343 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 6.84 -2.75 0.99 4.77 -1.26 -4.59 117.00 121.01 3kbp n LEU 344 Ca 0.00 -3.71 -0.35 0.00 -0.03 0.00 0.00 56.01 51.91 3kbp n LEU 344 Cb 0.11 -1.48 0.03 0.00 -2.33 0.00 0.00 43.42 39.75 3kbp n LEU 344 CO 0.00 1.86 1.08 0.00 -1.33 0.00 0.00 177.39 179.00 3kbp s THR 346 N -5.21 -0.02 0.16 0.00 2.01 -1.26 -5.08 115.64 106.24 3kbp s THR 346 Ca 0.51 0.25 -0.34 0.00 0.31 0.00 0.00 61.69 62.42 3kbp s THR 346 Cb 0.43 -0.15 -0.15 0.00 0.01 0.00 0.00 72.50 72.64 3kbp s THR 346 CO -0.33 0.13 1.37 -2.65 -0.69 0.00 0.00 174.62 172.45 3kbp n PRO 347 N 4.50 1.59 -4.32 4.92 -0.02 -1.26 -4.85 135.00 135.55 3kbp n PRO 347 Ca -0.21 0.57 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 3kbp n PRO 347 Cb 0.50 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.31 1.78 0.31 -1.45 -7.23 -0.79 -4.90 120.40 108.43 3kbp s VAL 348 Ca 0.77 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 3kbp s VAL 348 Cb -0.79 -1.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 3kbp s VAL 348 CO 0.46 -0.28 1.30 -0.75 -0.31 0.00 0.00 175.10 175.53 3kbp s LYS 349 N -2.64 4.37 -0.07 4.82 2.20 -1.26 -1.84 119.74 125.32 3kbp s LYS 349 Ca 0.14 2.18 -0.03 0.00 -0.36 0.00 0.00 55.97 57.90 3kbp s LYS 349 Cb -0.06 -3.09 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3kbp s LYS 349 CO 0.06 -0.18 0.15 0.34 -0.36 0.00 0.00 175.35 175.36 3kbp s ASP 350 N -0.40 0.28 0.00 1.43 -1.08 -0.83 -4.77 116.67 111.30 3kbp s ASP 350 Ca 0.50 0.31 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 3kbp s ASP 350 Cb -0.39 0.23 1.27 0.00 -1.46 0.00 0.00 42.92 42.57 3kbp s ASP 350 CO 0.51 -0.19 1.85 0.00 0.52 0.00 0.00 175.17 177.86 3kbp n GLN 351 N 4.72 1.35 0.00 4.34 1.13 -1.26 -3.00 117.38 124.66 3kbp n GLN 351 Ca -0.17 -0.51 0.11 0.00 -1.94 0.00 0.00 57.00 54.49 3kbp n GLN 351 Cb 0.51 -1.44 -0.07 0.00 0.11 0.00 0.00 30.24 29.35 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 -0.34 0.73 -4.82 1.08 7.64 -1.26 -4.94 113.62 111.72 3kbp n SER 352 Ca 0.19 -0.65 -0.34 0.00 1.01 0.00 0.00 58.87 59.08 3kbp n SER 352 Cb 0.22 1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 64.42 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 -3.11 3.13 0.79 -0.43 0.00 -1.16 -4.28 121.76 116.69 3kbp s ALA 353 Ca 0.05 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 3kbp s ALA 353 Cb 0.16 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 20.26 3kbp s ALA 353 CO 0.85 0.18 1.10 -1.25 0.00 0.00 0.00 175.76 176.64 3kbp s PRO 354 N -2.88 2.16 -0.19 0.00 0.04 -1.20 -4.57 135.00 128.36 3kbp s PRO 354 Ca 0.58 0.54 -0.19 0.00 0.04 0.00 0.00 61.00 61.97 3kbp s PRO 354 Cb -0.11 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3kbp s PRO 354 CO 0.16 -1.54 0.53 0.08 0.04 0.00 0.00 177.00 176.27 3kbp s VAL 355 N -3.23 5.10 -0.32 -0.36 1.01 -0.45 -4.09 120.40 118.06 3kbp s VAL 355 Ca 0.61 0.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 3kbp s VAL 355 Cb -0.14 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3kbp s VAL 355 CO 0.53 0.18 0.47 -0.31 0.00 0.00 0.00 175.10 175.97 3kbp s TYR 356 N 1.59 3.21 0.01 5.22 1.51 -1.26 -1.69 117.35 125.94 3kbp s TYR 356 Ca 0.25 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.63 3kbp s TYR 356 Cb -0.15 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.87 3kbp s TYR 356 CO 0.10 -0.43 -0.14 0.42 -1.11 0.00 0.00 175.55 174.39 3kbp s ILE 357 N 2.27 3.05 -0.10 2.71 1.01 -0.08 -2.40 121.20 127.66 3kbp s ILE 357 Ca 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3kbp s ILE 357 Cb -0.16 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3kbp s ILE 357 CO 0.12 0.42 -0.11 0.42 0.00 0.00 0.00 174.94 175.79 3kbp s THR 358 N -0.89 1.23 -0.31 2.92 -4.23 -0.76 -1.97 115.64 111.62 3kbp s THR 358 Ca 0.14 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.29 3kbp s THR 358 Cb -0.11 -1.17 0.46 0.00 1.34 0.00 0.00 72.50 73.02 3kbp s THR 358 CO 0.04 0.39 1.15 2.30 -0.54 0.00 0.00 174.62 177.97 3kbp n ILE 359 N 4.47 2.22 0.48 2.99 -0.00 0.97 -2.78 119.36 127.71 3kbp n ILE 359 Ca -0.17 -4.08 0.00 0.00 -0.00 0.00 0.00 62.75 58.50 3kbp n ILE 359 Cb 0.51 -0.68 0.00 0.00 -0.00 0.00 0.00 39.64 39.47 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 -0.62 1.85 1.80 3.28 0.00 -1.21 -3.41 105.19 106.88 3kbp n GLY 360 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 0.87 4.72 0.02 1.61 5.75 -1.24 -3.30 116.55 124.98 3kbp n ASP 361 Ca 0.00 -3.78 0.13 0.00 -0.01 0.00 0.00 54.79 51.13 3kbp n ASP 361 Cb 0.42 -0.56 0.45 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.88 2.71 0.00 2.12 0.00 -1.09 -0.51 120.51 122.86 3kbp n ALA 362 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3kbp n ALA 362 Cb 0.91 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 1.46 2.24 7.00 0.00 0.00 -1.23 -3.95 105.19 110.71 3kbp n GLY 363 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.55 1.61 6.94 -0.21 0.30 115.26 122.34 3kbp n ASN 364 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.45 3kbp n ASN 364 Cb 0.00 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.49 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 13.76 1.31 -2.28 -2.53 4.11 -1.26 -3.03 117.16 127.25 3kbp n TYR 365 Ca 0.00 -1.14 -0.02 0.00 -0.00 0.00 0.00 57.90 56.74 3kbp n TYR 365 Cb 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 39.34 38.77 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 -0.14 0.49 2.97 -7.48 0.00 0.15 -4.42 105.19 96.77 3kbp n GLY 366 Ca 0.25 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.49 0.91 -0.07 1.61 1.01 -1.24 -5.02 120.40 115.12 3kbp s VAL 367 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3kbp s VAL 367 Cb -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kbp s VAL 367 CO 0.03 0.31 0.08 -0.63 0.00 0.00 0.00 175.10 174.89 3kbp s ILE 368 N 0.77 4.90 -0.35 2.22 -1.09 -1.26 -4.86 121.20 121.53 3kbp s ILE 368 Ca -0.13 -0.14 -0.22 0.00 -2.23 0.00 0.00 60.65 57.93 3kbp s ILE 368 Cb -0.15 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 3kbp s ILE 368 CO 0.02 0.51 0.73 -1.81 -1.23 0.00 0.00 174.94 173.16 3kbp s ASP 369 N -1.26 6.52 -0.07 3.58 1.01 0.95 -4.91 116.67 122.49 3kbp s ASP 369 Ca 0.18 0.32 0.08 0.00 0.71 0.00 0.00 52.55 53.83 3kbp s ASP 369 Cb -0.12 -2.37 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 3kbp s ASP 369 CO 0.07 -0.66 0.06 -1.54 0.21 0.00 0.00 175.17 173.32 3kbp n SER 370 N 6.24 2.89 -4.63 0.27 3.41 -1.26 -4.61 113.62 115.93 3kbp n SER 370 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.20 3kbp n SER 370 Cb 0.48 0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 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 -3.87 6.43 0.46 4.04 0.01 -1.26 -4.95 114.94 115.81 3kbp s ASN 371 Ca -0.04 1.66 0.06 0.00 -0.71 0.00 0.00 52.86 53.82 3kbp s ASN 371 Cb 0.03 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 3kbp s ASN 371 CO 0.36 -1.21 0.21 0.00 -1.51 0.00 0.00 177.10 174.95 3kbp s MET 372 N 4.56 2.23 0.23 -0.60 0.23 -1.26 -1.58 119.30 123.10 3kbp s MET 372 Ca 0.70 -1.99 -0.30 0.00 -1.03 0.00 0.00 55.69 53.07 3kbp s MET 372 Cb -0.25 -1.93 -0.09 0.00 -1.53 0.00 0.00 34.83 31.03 3kbp s MET 372 CO 0.28 -0.29 1.27 0.42 -2.03 0.00 0.00 175.02 174.68 3kbp s ILE 373 N -2.69 3.19 -0.05 3.16 -1.09 0.16 -4.67 121.20 119.20 3kbp s ILE 373 Ca 0.33 1.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.81 3kbp s ILE 373 Cb 0.02 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 3kbp s ILE 373 CO 0.19 0.18 -0.12 -1.58 -1.23 0.00 0.00 174.94 172.38 3kbp s GLN 374 N -0.58 1.49 0.67 2.79 2.00 -1.26 -4.00 119.66 120.77 3kbp s GLN 374 Ca 0.53 -0.40 -0.11 0.00 -2.00 0.00 0.00 55.36 53.38 3kbp s GLN 374 Cb -0.36 -1.28 -0.01 0.00 0.80 0.00 0.00 33.01 32.16 3kbp s GLN 374 CO 0.41 0.08 1.06 -1.25 -0.50 0.00 0.00 175.29 175.09 3kbp s PRO 375 N 0.47 3.19 -0.21 1.67 0.04 -1.26 -5.07 135.00 133.84 3kbp s PRO 375 Ca -0.10 0.64 -0.34 0.00 0.04 0.00 0.00 61.00 61.24 3kbp s PRO 375 Cb -0.13 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3kbp s PRO 375 CO 0.03 -0.84 2.03 0.94 0.04 0.00 0.00 177.00 179.20 3kbp n GLN 376 N -2.91 1.72 -0.98 4.56 7.27 -1.26 -4.90 117.38 120.89 3kbp n GLN 376 Ca 0.07 0.57 -0.30 0.00 0.07 0.00 0.00 57.00 57.40 3kbp n GLN 376 Cb 0.55 -2.65 0.15 0.00 2.41 0.00 0.00 30.24 30.70 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 5.13 1.24 0.17 3.69 0.04 -1.26 -4.91 135.00 139.10 3kbp s PRO 377 Ca 1.00 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 3kbp s PRO 377 Cb -0.71 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.16 3kbp s PRO 377 CO 0.49 -2.36 1.65 0.93 0.04 0.00 0.00 177.00 177.75 3kbp h GLU 378 N -1.65 -0.06 -0.65 4.56 3.07 -1.98 -1.23 114.58 116.64 3kbp h GLU 378 Ca -0.47 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.56 3kbp h GLU 378 Cb 1.27 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.16 3kbp h GLU 378 CO 0.49 -0.04 0.45 0.10 -1.40 0.00 0.00 179.01 178.61 3kbp h TYR 379 N -0.06 0.15 -3.01 4.33 -0.00 -1.92 -3.41 116.97 113.05 3kbp h TYR 379 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 58.73 58.37 3kbp h TYR 379 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 36.73 37.01 3kbp h TYR 379 CO -0.40 0.05 0.93 0.45 -0.00 0.00 0.00 178.16 179.19 3kbp s SER 380 N -6.06 6.84 -0.04 0.10 0.15 -0.47 -0.28 113.70 113.94 3kbp s SER 380 Ca -0.06 1.48 0.03 0.00 0.70 0.00 0.00 55.95 58.10 3kbp s SER 380 Cb 0.20 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.72 3kbp s SER 380 CO 0.75 -0.89 0.68 0.00 1.20 0.00 0.00 173.24 174.98 3kbp h ALA 381 N 8.61 0.52 -1.60 5.45 0.00 -0.52 -3.45 119.26 128.28 3kbp h ALA 381 Ca -0.26 -1.32 0.09 0.00 0.00 0.00 0.00 54.91 53.43 3kbp h ALA 381 Cb 1.10 0.45 -0.26 0.00 0.00 0.00 0.00 17.79 19.07 3kbp h ALA 381 CO 1.00 1.37 0.37 0.12 0.00 0.00 0.00 179.25 182.11 3kbp s PHE 382 N -2.60 -0.59 -0.03 0.00 5.36 -0.89 -4.97 117.98 114.27 3kbp s PHE 382 Ca -0.10 1.24 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 3kbp s PHE 382 Cb 0.07 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.14 3kbp s PHE 382 CO 0.82 -0.29 0.16 -0.98 -1.46 0.00 0.00 175.22 173.47 3kbp s ARG 383 N 1.04 0.38 -0.14 10.12 1.04 -1.26 -0.24 118.95 129.88 3kbp s ARG 383 Ca -0.05 -0.11 -0.20 0.00 -1.04 0.00 0.00 55.73 54.32 3kbp s ARG 383 Cb -0.04 0.16 0.05 0.00 -2.04 0.00 0.00 34.95 33.08 3kbp s ARG 383 CO -0.13 -0.08 0.53 -2.00 -0.04 0.00 0.00 175.30 173.58 3kbp s GLU 384 N -0.75 0.71 -1.16 3.89 2.12 -0.09 -4.97 118.70 118.46 3kbp s GLU 384 Ca -0.08 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 3kbp s GLU 384 Cb -0.05 0.34 0.25 0.00 0.26 0.00 0.00 34.13 34.93 3kbp s GLU 384 CO 0.01 -0.14 1.41 0.00 -0.54 0.00 0.00 175.26 176.00 3kbp n ALA 385 N 2.19 4.59 -2.21 6.30 0.00 -1.26 -0.68 120.51 129.43 3kbp n ALA 385 Ca -0.16 -4.55 -0.12 0.00 0.00 0.00 0.00 53.44 48.60 3kbp n ALA 385 Cb 0.56 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 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 0.77 1.26 0.16 0.00 0.01 -1.26 -4.96 113.70 109.67 3kbp s SER 386 Ca 0.35 -1.08 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 3kbp s SER 386 Cb -0.01 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 3kbp s SER 386 CO 0.00 -0.49 0.65 -0.36 0.41 0.00 0.00 173.24 173.45 3kbp s PHE 387 N -3.60 3.72 -0.13 2.43 0.08 -1.26 -4.53 117.98 114.69 3kbp s PHE 387 Ca 0.18 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3kbp s PHE 387 Cb 0.05 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3kbp s PHE 387 CO -0.00 0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.98 3kbp n GLY 388 N 1.14 -1.20 2.94 4.36 0.00 0.33 -0.24 105.19 112.53 3kbp n GLY 388 Ca -0.06 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 0.14 -0.38 -4.24 1.61 1.44 -1.20 -3.50 115.22 109.10 3kbp n HIS 389 Ca 0.00 -2.46 -0.13 0.00 -2.01 0.00 0.00 57.72 53.11 3kbp n HIS 389 Cb 0.00 0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 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 -3.16 1.39 -0.01 -1.39 0.00 -0.03 -2.64 107.32 101.48 3kbp s GLY 390 Ca 0.29 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.34 3kbp s GLY 390 CO 0.21 -1.49 -0.04 1.06 0.00 0.00 0.00 173.10 172.84 3kbp s MET 391 N -4.04 0.42 -0.43 2.90 -1.94 -1.00 -0.16 119.30 115.06 3kbp s MET 391 Ca 0.32 -0.13 0.03 0.00 -1.71 0.00 0.00 55.69 54.20 3kbp s MET 391 Cb 0.07 -0.44 0.12 0.00 2.01 0.00 0.00 34.83 36.59 3kbp s MET 391 CO 0.09 0.05 0.18 0.12 -0.01 0.00 0.00 175.02 175.45 3kbp s PHE 392 N 0.17 2.79 -0.64 -0.03 5.36 -0.02 -1.47 117.98 124.13 3kbp s PHE 392 Ca -0.01 -2.74 -0.22 0.00 -0.96 0.00 0.00 56.93 52.99 3kbp s PHE 392 Cb -0.05 -2.44 0.07 0.00 -0.34 0.00 0.00 43.02 40.26 3kbp s PHE 392 CO -0.00 -0.82 0.94 0.34 -1.46 0.00 0.00 175.22 174.22 3kbp s ASP 393 N 0.42 6.19 0.06 6.13 -1.08 -0.72 -2.24 116.67 125.42 3kbp s ASP 393 Ca 0.15 -0.97 -0.30 0.00 -0.52 0.00 0.00 52.55 50.91 3kbp s ASP 393 Cb -0.23 -2.41 -0.05 0.00 -1.46 0.00 0.00 42.92 38.77 3kbp s ASP 393 CO -0.05 -1.40 1.14 -0.63 0.52 0.00 0.00 175.17 174.75 3kbp s ILE 394 N 3.96 4.21 0.00 4.11 1.01 0.13 -0.62 121.20 134.00 3kbp s ILE 394 Ca 0.22 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.49 3kbp s ILE 394 Cb -0.17 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3kbp s ILE 394 CO 0.11 0.14 0.00 0.29 0.00 0.00 0.00 174.94 175.48 3kbp n LYS 395 N 3.74 0.00 -0.58 2.79 4.76 0.11 -2.60 118.16 126.37 3kbp n LYS 395 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3kbp n LYS 395 Cb 0.47 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 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 -2.47 1.73 -0.20 4.39 3.02 -0.42 -4.20 115.26 117.10 3kbp n ASN 396 Ca 0.00 -0.31 0.14 0.00 -0.03 0.00 0.00 54.58 54.38 3kbp n ASN 396 Cb 0.00 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.04 1.05 -0.02 3.52 1.85 -1.25 -3.74 116.66 118.02 3kbp n ARG 397 Ca 0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 57.85 56.42 3kbp n ARG 397 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.89 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 -0.62 0.29 -5.20 8.89 -2.24 -1.26 -4.60 114.28 109.54 3kbp n THR 398 Ca 0.18 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3kbp n THR 398 Cb 0.27 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.10 2.44 -0.14 4.78 3.76 -1.25 -1.69 115.29 121.09 3kbp s HIS 399 Ca -0.02 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.40 3kbp s HIS 399 Cb 0.01 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.20 3kbp s HIS 399 CO 0.17 -0.00 0.35 0.00 -0.85 0.00 0.00 174.74 174.41 3kbp s ALA 400 N -0.59 -0.86 -0.29 -1.40 0.00 -1.09 0.06 121.76 117.60 3kbp s ALA 400 Ca 0.09 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 3kbp s ALA 400 Cb -0.11 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.33 3kbp s ALA 400 CO -0.00 -0.21 -0.04 -1.58 0.00 0.00 0.00 175.76 173.93 3kbp s HIS 401 N 0.97 3.26 0.40 0.00 2.46 0.21 0.94 115.29 123.53 3kbp s HIS 401 Ca -0.06 -2.01 -0.18 0.00 0.47 0.00 0.00 55.06 53.28 3kbp s HIS 401 Cb -0.07 -2.05 -0.10 0.00 -0.13 0.00 0.00 32.58 30.24 3kbp s HIS 401 CO -0.07 -0.83 0.86 0.12 -2.47 0.00 0.00 174.74 172.35 3kbp s PHE 402 N 1.21 3.36 0.09 3.88 5.36 -0.16 -1.76 117.98 129.96 3kbp s PHE 402 Ca -0.06 1.41 -0.09 0.00 -0.96 0.00 0.00 56.93 57.23 3kbp s PHE 402 Cb -0.20 -2.70 -0.00 0.00 -0.34 0.00 0.00 43.02 39.78 3kbp s PHE 402 CO -0.02 -0.06 0.19 -1.12 -1.46 0.00 0.00 175.22 172.75 3kbp s SER 403 N -2.37 0.11 -0.21 6.13 0.01 -0.54 -1.38 113.70 115.45 3kbp s SER 403 Ca 0.58 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 3kbp s SER 403 Cb -0.10 0.34 0.08 0.00 0.21 0.00 0.00 66.02 66.55 3kbp s SER 403 CO 0.18 -0.72 0.12 0.86 0.41 0.00 0.00 173.24 174.09 3kbp s TRP 404 N -3.78 0.14 -0.20 2.43 -0.00 -0.54 -2.36 118.94 114.63 3kbp s TRP 404 Ca 0.04 -0.38 -0.16 0.00 -0.00 0.00 0.00 56.10 55.60 3kbp s TRP 404 Cb 0.04 -0.69 -0.04 0.00 -0.00 0.00 0.00 33.47 32.79 3kbp s TRP 404 CO -0.11 -0.62 0.42 1.21 -0.00 0.00 0.00 176.95 177.86 3kbp s ASN 405 N 2.16 6.47 0.40 5.86 3.84 -1.08 -1.57 114.94 131.02 3kbp s ASN 405 Ca 0.05 0.55 -0.21 0.00 0.21 0.00 0.00 52.86 53.46 3kbp s ASN 405 Cb -0.16 -2.24 -0.11 0.00 -0.55 0.00 0.00 41.25 38.19 3kbp s ASN 405 CO -0.17 -0.09 0.92 -0.13 -2.79 0.00 0.00 177.10 174.84 3kbp s ARG 406 N 1.36 4.24 0.49 0.43 0.52 -1.26 -3.22 118.95 121.51 3kbp s ARG 406 Ca 0.20 1.09 0.25 0.00 -0.52 0.00 0.00 55.73 56.75 3kbp s ARG 406 Cb -0.15 -2.29 1.26 0.00 0.52 0.00 0.00 34.95 34.30 3kbp s ARG 406 CO 0.08 0.03 2.00 -0.91 0.02 0.00 0.00 175.30 176.52 3kbp h ASN 407 N 2.11 0.00 -0.11 0.23 4.21 -0.99 -2.53 115.58 118.49 3kbp h ASN 407 Ca -0.49 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 56.85 3kbp h ASN 407 Cb 1.18 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3kbp h ASN 407 CO 0.62 0.17 -0.57 1.56 -1.29 0.00 0.00 177.43 177.92 3kbp h GLN 408 N 0.00 0.71 -7.36 0.81 7.50 -1.92 -3.46 115.11 111.39 3kbp h GLN 408 Ca -0.00 -0.46 -0.43 0.00 0.50 0.00 0.00 58.65 58.26 3kbp h GLN 408 Cb 0.44 0.06 0.18 0.00 0.05 0.00 0.00 27.48 28.21 3kbp h GLN 408 CO 0.02 1.08 0.14 -0.51 -1.50 0.00 0.00 178.83 178.07 3kbp s ASP 409 N -6.95 1.43 0.58 1.46 1.01 -0.96 -5.03 116.67 108.21 3kbp s ASP 409 Ca -0.09 0.85 -0.08 0.00 0.71 0.00 0.00 52.55 53.94 3kbp s ASP 409 Cb 0.11 -1.27 -0.02 0.00 1.01 0.00 0.00 42.92 42.75 3kbp s ASP 409 CO 0.87 -3.84 0.92 -0.83 0.21 0.00 0.00 175.17 172.51 3kbp s GLY 410 N -3.67 1.59 0.36 0.21 0.00 -1.26 -4.92 107.32 99.63 3kbp s GLY 410 Ca 0.69 -0.41 0.19 0.00 0.00 0.00 0.00 44.72 45.18 3kbp s GLY 410 CO 0.57 -0.16 1.59 -2.08 0.00 0.00 0.00 173.10 173.01 3kbp h VAL 411 N -0.15 0.04 -0.69 1.40 2.07 -1.94 -0.40 116.25 116.58 3kbp h VAL 411 Ca -0.45 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kbp h VAL 411 Cb 1.22 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3kbp h VAL 411 CO 0.62 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.21 3kbp n ALA 412 N -2.32 2.66 -2.54 1.67 0.00 -1.26 -4.55 120.51 114.16 3kbp n ALA 412 Ca 0.36 -1.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.01 3kbp n ALA 412 Cb 1.22 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.35 4.76 -1.13 0.00 1.01 -0.16 -5.00 120.40 118.54 3kbp s VAL 413 Ca 0.49 0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3kbp s VAL 413 Cb 0.28 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.55 3kbp s VAL 413 CO 0.30 -0.56 1.46 -1.61 0.00 0.00 0.00 175.10 174.68 3kbp s GLU 414 N 3.00 3.85 0.62 2.72 2.02 -1.26 -4.08 118.70 125.57 3kbp s GLU 414 Ca 0.27 -1.93 0.25 0.00 0.02 0.00 0.00 54.97 53.58 3kbp s GLU 414 Cb -0.13 -5.23 1.25 0.00 0.10 0.00 0.00 34.13 30.12 3kbp s GLU 414 CO 0.19 -2.00 1.70 0.00 0.02 0.00 0.00 175.26 175.17 3kbp h ALA 415 N 8.21 2.04 -2.53 5.21 0.00 -1.65 -3.40 119.26 127.13 3kbp h ALA 415 Ca 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3kbp h ALA 415 Cb 0.93 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 3kbp h ALA 415 CO 1.31 -0.81 -0.22 0.34 0.00 0.00 0.00 179.25 179.87 3kbp s ASP 416 N -4.42 -0.17 -0.15 0.00 2.15 -1.12 -4.99 116.67 107.98 3kbp s ASP 416 Ca -0.03 -0.09 -0.28 0.00 0.43 0.00 0.00 52.55 52.57 3kbp s ASP 416 Cb 0.11 0.36 0.07 0.00 -0.30 0.00 0.00 42.92 43.17 3kbp s ASP 416 CO 0.39 -0.59 0.71 -0.55 -0.17 0.00 0.00 175.17 174.96 3kbp s SER 417 N -1.89 -0.69 -0.22 -0.34 0.15 -1.26 -1.47 113.70 107.97 3kbp s SER 417 Ca -0.07 1.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.40 3kbp s SER 417 Cb -0.02 0.93 0.06 0.00 -1.71 0.00 0.00 66.02 65.28 3kbp s SER 417 CO -0.01 -0.45 0.59 -0.69 1.20 0.00 0.00 173.24 173.88 3kbp s VAL 418 N -0.52 -0.00 -0.07 4.45 1.01 -0.48 -4.99 120.40 119.79 3kbp s VAL 418 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3kbp s VAL 418 Cb -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 3kbp s VAL 418 CO 0.06 0.00 0.37 0.26 0.00 0.00 0.00 175.10 175.79 3kbp s TRP 419 N 0.42 3.61 -0.20 5.22 0.52 -1.26 -0.98 118.94 126.25 3kbp s TRP 419 Ca -0.01 0.84 -0.07 0.00 0.02 0.00 0.00 56.10 56.87 3kbp s TRP 419 Cb -0.04 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 3kbp s TRP 419 CO -0.01 0.45 0.07 -0.06 0.02 0.00 0.00 176.95 177.42 3kbp s PHE 420 N -0.32 3.20 -0.26 -1.98 0.40 0.27 -4.89 117.98 114.40 3kbp s PHE 420 Ca 0.22 -0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.36 3kbp s PHE 420 Cb -0.15 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 3kbp s PHE 420 CO 0.10 0.00 0.28 -0.06 0.70 0.00 0.00 175.22 176.24 3kbp s PHE 421 N 0.76 3.27 -0.23 0.36 0.08 -1.26 -2.67 117.98 118.29 3kbp s PHE 421 Ca 0.04 0.32 -0.33 0.00 0.12 0.00 0.00 56.93 57.08 3kbp s PHE 421 Cb -0.13 -2.45 -0.10 0.00 -0.57 0.00 0.00 43.02 39.77 3kbp s PHE 421 CO 0.02 -0.11 2.10 -1.71 -0.10 0.00 0.00 175.22 175.42 3kbp n ASN 422 N 4.90 2.86 0.32 1.36 2.85 -0.68 -4.69 115.26 122.17 3kbp n ASN 422 Ca -0.11 0.54 0.12 0.00 -0.11 0.00 0.00 54.58 55.01 3kbp n ASN 422 Cb 0.51 -1.38 0.60 0.00 1.24 0.00 0.00 39.78 40.76 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 12.09 0.00 0.00 1.20 2.47 -1.84 0.34 114.38 128.64 3kbp h ARG 423 Ca -0.38 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.26 3kbp h ARG 423 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 3kbp h ARG 423 CO 0.98 0.00 -1.25 1.58 0.56 0.00 0.00 179.97 181.84 3kbp n HIS 424 N -2.82 0.03 0.38 3.04 -0.00 -1.26 -4.33 115.22 110.27 3kbp n HIS 424 Ca -0.01 0.02 0.12 0.00 0.46 0.00 0.00 57.72 58.31 3kbp n HIS 424 Cb 0.56 -0.60 0.23 0.00 -0.12 0.00 0.00 29.99 30.06 3kbp n HIS 424 CO 0.00 0.00 0.00 -1.49 0.46 0.00 0.00 176.34 175.31 3kbp h TRP 425 N -1.00 0.00 -0.56 1.57 4.06 -1.77 -3.40 115.95 114.85 3kbp h TRP 425 Ca -0.12 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.53 3kbp h TRP 425 Cb 1.09 0.00 -0.28 0.00 -1.00 0.00 0.00 29.16 28.97 3kbp h TRP 425 CO -0.36 0.00 -0.79 0.98 -3.56 0.00 0.00 178.44 174.71 3kbp n TYR 426 N -2.65 -0.66 -0.31 0.49 9.36 0.12 -4.98 117.16 118.53 3kbp n TYR 426 Ca 0.04 -2.42 -0.16 0.00 3.32 0.00 0.00 57.90 58.68 3kbp n TYR 426 Cb 0.49 0.58 -0.03 0.00 -0.63 0.00 0.00 39.34 39.75 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 -0.27 0.46 -3.62 2.98 -0.04 -0.87 -4.04 135.00 129.60 3kbp n PRO 427 Ca 0.04 -0.86 -0.20 0.00 -0.04 0.00 0.00 63.50 62.45 3kbp n PRO 427 Cb 0.82 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 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 5.14 4.12 -0.52 0.52 -7.23 -1.26 -5.03 120.40 116.14 3kbp s VAL 428 Ca 0.25 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.05 3kbp s VAL 428 Cb 0.06 -3.42 0.01 0.00 0.56 0.00 0.00 36.38 33.59 3kbp s VAL 428 CO 0.07 -0.19 1.51 -0.62 -0.31 0.00 0.00 175.10 175.56 3kbp s ASP 429 N -4.10 6.04 -0.10 4.85 -1.08 -1.26 -4.75 116.67 116.26 3kbp s ASP 429 Ca 0.42 0.49 0.15 0.00 -0.52 0.00 0.00 52.55 53.09 3kbp s ASP 429 Cb -0.09 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.60 3kbp s ASP 429 CO 0.30 -1.74 0.44 -0.90 0.52 0.00 0.00 175.17 173.78 3kbp n ASP 430 N 9.90 0.53 -3.55 -0.34 5.68 -1.26 -4.97 116.55 122.54 3kbp n ASP 430 Ca 0.15 0.25 -0.49 0.00 -0.50 0.00 0.00 54.79 54.20 3kbp n ASP 430 Cb 0.49 0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 40.76 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 -2.92 0.57 0.00 -1.12 7.64 -1.26 -4.92 113.62 111.61 3kbp n SER 431 Ca -0.23 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3kbp n SER 431 Cb 1.09 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3kbp n SER 431 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10