#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 2.26 0.09 4.61 0.00 -1.26 -4.85 120.51 121.36 2k46 n ALA 2 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.30 2k46 n ALA 2 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2k46 n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2k46 n MET 3 N -0.91 0.00 -1.06 0.00 0.00 -1.26 -5.13 117.12 108.77 2k46 n MET 3 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.52 2k46 n MET 3 Cb 0.68 0.00 0.21 0.00 0.00 0.00 0.00 33.22 34.10 2k46 n MET 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k46 s SER 4 N -4.04 1.79 0.00 6.12 1.04 -1.26 -5.02 113.70 112.33 2k46 s SER 4 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2k46 s SER 4 Cb 0.00 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2k46 s SER 4 CO 0.00 -3.63 0.00 0.61 0.98 0.00 0.00 173.24 171.20 2k46 n GLY 5 N -0.78 -1.77 0.09 7.32 0.00 -1.26 -4.96 105.19 103.83 2k46 n GLY 5 Ca 0.07 0.68 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 0.24 -2.07 0.99 5.85 -1.92 -3.28 115.31 115.13 2k46 h LEU 6 Ca 0.00 -0.97 0.03 0.00 0.84 0.00 0.00 57.88 57.78 2k46 h LEU 6 Cb 0.00 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2k46 h LEU 6 CO 0.00 1.21 0.33 0.00 -0.34 0.00 0.00 178.44 179.64 2k46 h ALA 7 N 0.03 1.50 0.00 1.25 0.00 -1.78 0.02 119.26 120.28 2k46 h ALA 7 Ca -0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2k46 h ALA 7 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2k46 h ALA 7 CO 0.07 -0.38 -0.34 -0.44 0.00 0.00 0.00 179.25 178.16 2k46 h ASP 8 N 0.00 0.00 0.04 0.00 5.19 -1.91 -3.31 116.42 116.43 2k46 h ASP 8 Ca 0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 2k46 h ASP 8 Cb 0.70 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2k46 h ASP 8 CO -0.00 0.34 -2.01 0.29 -3.12 0.00 0.00 179.24 174.74 2k46 n LYS 9 N -3.19 0.66 -1.43 3.56 5.02 -0.05 -4.99 118.16 117.75 2k46 n LYS 9 Ca 0.03 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 2k46 n LYS 9 Cb 0.67 -1.53 -0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2k46 n VAL 10 N -2.34 1.64 0.00 -0.18 3.14 -0.96 -2.97 118.33 116.66 2k46 n VAL 10 Ca -0.07 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2k46 n VAL 10 Cb 0.64 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -0.58 0.00 -3.64 1.55 -5.35 -1.18 -4.85 119.36 105.31 2k46 n ILE 11 Ca 0.12 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.55 2k46 n ILE 11 Cb 0.36 0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.44 -0.24 -0.23 4.28 -0.00 -1.10 -5.04 118.94 116.18 2k46 s TRP 12 Ca 0.00 0.58 -0.26 0.00 -0.00 0.00 0.00 56.10 56.41 2k46 s TRP 12 Cb 0.00 0.42 0.07 0.00 -0.00 0.00 0.00 33.47 33.96 2k46 s TRP 12 CO 0.00 -0.11 0.72 0.00 -0.00 0.00 0.00 176.95 177.56 2k46 s ALA 13 N 0.16 -1.78 -0.12 5.86 0.00 -1.26 -0.76 121.76 123.86 2k46 s ALA 13 Ca 0.05 1.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 2k46 s ALA 13 Cb -0.05 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.17 2k46 s ALA 13 CO -0.12 -0.34 0.28 0.08 0.00 0.00 0.00 175.76 175.66 2k46 s VAL 14 N 0.06 -0.07 -0.46 0.00 1.01 0.31 -1.98 120.40 119.28 2k46 s VAL 14 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2k46 s VAL 14 Cb -0.04 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 36.03 2k46 s VAL 14 CO 0.03 0.06 0.23 0.21 0.00 0.00 0.00 175.10 175.63 2k46 s ASN 15 N 1.37 5.04 -0.22 3.32 2.47 -1.26 0.50 114.94 126.17 2k46 s ASN 15 Ca -0.09 -2.36 -0.29 0.00 0.42 0.00 0.00 52.86 50.55 2k46 s ASN 15 Cb -0.10 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.90 2k46 s ASN 15 CO -0.09 -0.43 1.71 0.00 -3.72 0.00 0.00 177.10 174.56 2k46 s ALA 16 N 0.65 3.20 0.00 1.71 0.00 0.53 -3.22 121.76 124.63 2k46 s ALA 16 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2k46 s ALA 16 Cb -0.22 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2k46 s ALA 16 CO -0.04 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.05 2k46 n GLY 17 N 4.84 2.93 0.00 0.00 0.00 -1.25 -2.77 105.19 108.94 2k46 n GLY 17 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.87 3.60 -0.02 0.00 -1.20 -4.06 105.19 105.38 2k46 n GLY 18 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 4.24 0.52 0.00 1.61 2.12 -1.26 -4.56 118.70 121.37 2k46 s GLU 19 Ca 0.00 1.28 0.00 0.00 0.36 0.00 0.00 54.97 56.61 2k46 s GLU 19 Cb 0.00 0.73 0.00 0.00 0.26 0.00 0.00 34.13 35.12 2k46 s GLU 19 CO 0.00 -0.17 0.00 -1.13 -0.54 0.00 0.00 175.26 173.42 2k46 n SER 20 N 5.25 -3.08 -4.43 -1.70 3.41 -1.24 -4.91 113.62 106.93 2k46 n SER 20 Ca -0.12 0.32 -0.28 0.00 -0.26 0.00 0.00 58.87 58.53 2k46 n SER 20 Cb 0.50 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k46 s HIS 21 N -0.15 2.36 -0.30 7.33 2.46 -1.06 -4.90 115.29 121.02 2k46 s HIS 21 Ca 0.00 -0.35 0.03 0.00 0.47 0.00 0.00 55.06 55.21 2k46 s HIS 21 Cb 0.00 -1.23 0.09 0.00 -0.13 0.00 0.00 32.58 31.30 2k46 s HIS 21 CO 0.00 0.41 0.01 0.08 -2.47 0.00 0.00 174.74 172.76 2k46 s VAL 22 N -1.31 1.94 0.60 0.89 1.01 -1.26 -0.27 120.40 122.01 2k46 s VAL 22 Ca 0.17 -1.89 -0.17 0.00 0.00 0.00 0.00 61.98 60.10 2k46 s VAL 22 Cb -0.09 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2k46 s VAL 22 CO 0.08 -0.41 1.10 -0.62 0.00 0.00 0.00 175.10 175.25 2k46 s ASP 23 N 1.12 5.48 0.23 3.32 -1.08 0.47 -4.84 116.67 121.38 2k46 s ASP 23 Ca 0.04 2.02 -0.14 0.00 -0.52 0.00 0.00 52.55 53.95 2k46 s ASP 23 Cb -0.19 -2.56 0.29 0.00 -1.46 0.00 0.00 42.92 39.00 2k46 s ASP 23 CO -0.09 -1.38 1.59 -0.37 0.52 0.00 0.00 175.17 175.43 2k46 h VAL 24 N 0.53 0.16 0.00 1.11 -1.51 -1.97 1.06 116.25 115.65 2k46 h VAL 24 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k46 h VAL 24 Cb 1.24 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2k46 h VAL 24 CO 0.56 0.00 0.06 0.45 -1.23 0.00 0.00 177.57 177.41 2k46 h HIS 25 N -0.03 0.00 0.00 5.19 3.86 -2.03 -3.44 115.15 118.69 2k46 h HIS 25 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2k46 h HIS 25 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k46 h HIS 25 CO -0.67 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.53 2k46 n GLY 26 N -1.18 1.45 3.52 2.45 0.00 0.37 -3.73 105.19 108.07 2k46 n GLY 26 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.73 -0.15 -0.61 -1.09 -1.11 -4.47 121.20 116.51 2k46 s ILE 27 Ca 0.00 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2k46 s ILE 27 Cb 0.00 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2k46 s ILE 27 CO 0.00 0.32 0.07 -2.28 -1.23 0.00 0.00 174.94 171.82 2k46 s HIS 28 N 1.51 3.33 -0.17 3.97 5.65 -1.25 -0.39 115.29 127.93 2k46 s HIS 28 Ca 0.06 0.23 -0.10 0.00 0.25 0.00 0.00 55.06 55.50 2k46 s HIS 28 Cb -0.15 -1.98 -0.05 0.00 -1.18 0.00 0.00 32.58 29.22 2k46 s HIS 28 CO 0.06 0.38 0.16 -0.47 -0.65 0.00 0.00 174.74 174.23 2k46 s TYR 29 N -0.27 3.47 -0.49 3.88 5.04 0.63 -4.20 117.35 125.42 2k46 s TYR 29 Ca 0.09 0.43 -0.24 0.00 -2.44 0.00 0.00 57.07 54.91 2k46 s TYR 29 Cb -0.12 -2.14 0.03 0.00 0.35 0.00 0.00 41.96 40.08 2k46 s TYR 29 CO 0.01 0.39 0.85 1.03 -1.34 0.00 0.00 175.55 176.50 2k46 s ARG 30 N 0.03 3.39 0.02 4.97 0.52 -0.84 -2.58 118.95 124.46 2k46 s ARG 30 Ca 0.11 -0.15 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2k46 s ARG 30 Cb -0.12 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 2k46 s ARG 30 CO 0.01 -1.26 0.14 1.17 0.02 0.00 0.00 175.30 175.38 2k46 n LYS 31 N 7.00 0.00 0.00 3.54 4.81 -1.26 -3.73 118.16 128.51 2k46 n LYS 31 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2k46 n LYS 31 Cb 0.48 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.31 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k46 n ASP 32 N 0.31 0.00 0.00 3.14 5.75 -1.26 -4.76 116.55 119.73 2k46 n ASP 32 Ca 0.03 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.92 2k46 n ASP 32 Cb 0.03 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.08 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2k46 n PRO 33 N 0.00 0.02 -0.00 0.11 -0.04 -1.24 -3.79 135.00 130.05 2k46 n PRO 33 Ca 0.00 -0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2k46 n PRO 33 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k46 n LEU 34 N -1.53 0.09 -4.08 1.53 -0.00 -1.26 -4.31 117.00 107.45 2k46 n LEU 34 Ca 0.04 -0.17 -0.43 0.00 -0.00 0.00 0.00 56.01 55.44 2k46 n LEU 34 Cb 0.34 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.76 2k46 n LEU 34 CO 0.41 0.02 1.32 -0.62 -0.00 0.00 0.00 177.39 178.52 2k46 n GLU 35 N -1.51 3.98 -0.61 1.47 -0.58 -1.26 -4.50 120.64 117.63 2k46 n GLU 35 Ca -0.00 -4.20 0.00 0.00 -0.42 0.00 0.00 57.16 52.54 2k46 n GLU 35 Cb 0.13 -2.68 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k46 n GLY 36 N 2.24 1.19 3.72 0.62 0.00 -1.26 -4.21 105.19 107.48 2k46 n GLY 36 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 -0.72 -3.86 1.61 0.00 -1.25 -4.95 116.66 105.49 2k46 n ARG 37 Ca 0.00 0.13 -0.12 0.00 -0.00 0.00 0.00 57.85 57.87 2k46 n ARG 37 Cb 0.00 -1.40 -0.13 0.00 -0.00 0.00 0.00 32.46 30.93 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k46 s VAL 38 N -3.43 0.01 -0.84 8.89 0.11 -1.25 -4.99 120.40 118.91 2k46 s VAL 38 Ca 0.19 -0.11 -0.33 0.00 -2.93 0.00 0.00 61.98 58.81 2k46 s VAL 38 Cb -0.11 -0.12 -0.19 0.00 -1.53 0.00 0.00 36.38 34.43 2k46 s VAL 38 CO 0.64 -0.06 2.56 0.61 -3.33 0.00 0.00 175.10 175.52 2k46 n GLY 39 N 2.86 -0.32 3.62 6.54 0.00 -1.26 -4.83 105.19 111.80 2k46 n GLY 39 Ca -0.14 1.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.92 2k46 n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k46 s ARG 40 N 8.34 0.25 0.36 1.61 3.52 -1.26 -5.10 118.95 126.66 2k46 s ARG 40 Ca 1.28 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 2k46 s ARG 40 Cb -1.16 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.35 2k46 s ARG 40 CO 0.49 -0.07 0.00 0.00 -0.81 0.00 0.00 175.30 174.91 2k46 n ALA 41 N 0.79 1.91 -2.53 6.12 0.00 -1.26 -4.68 120.51 120.86 2k46 n ALA 41 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 2k46 n ALA 41 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 2k46 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k46 n SER 42 N -3.46 -1.92 -0.03 0.00 2.88 -1.26 -4.76 113.62 105.07 2k46 n SER 42 Ca 0.00 1.26 -0.02 0.00 -1.33 0.00 0.00 58.87 58.79 2k46 n SER 42 Cb 0.00 -4.97 -0.13 0.00 -0.75 0.00 0.00 64.21 58.36 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k46 n ASP 43 N 1.38 0.37 0.00 -3.46 5.75 -1.26 -4.82 116.55 114.51 2k46 n ASP 43 Ca -0.31 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2k46 n ASP 43 Cb 0.49 0.84 0.00 0.00 -1.03 0.00 0.00 41.12 41.41 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N -2.71 0.00 -3.45 2.11 9.36 -1.26 -4.34 117.16 116.86 2k46 n TYR 44 Ca -0.17 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 60.95 2k46 n TYR 44 Cb 0.91 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.52 2k46 n TYR 44 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2k46 s GLY 45 N 0.00 -0.34 0.00 2.98 0.00 -1.26 -4.98 107.32 103.72 2k46 s GLY 45 Ca 0.00 0.97 0.31 0.00 0.00 0.00 0.00 44.72 46.00 2k46 s GLY 45 CO 0.00 2.51 2.12 1.03 0.00 0.00 0.00 173.10 178.76 2k46 n MET 46 N 5.36 0.92 0.16 2.90 2.81 -1.26 -3.95 117.12 124.06 2k46 n MET 46 Ca -0.05 -0.11 0.17 0.00 -1.81 0.00 0.00 57.70 55.90 2k46 n MET 46 Cb 0.50 -1.50 0.61 0.00 -0.71 0.00 0.00 33.22 32.12 2k46 n MET 46 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2k46 h LYS 47 N 0.27 0.00 -2.66 0.03 2.10 -1.95 -2.51 116.57 111.85 2k46 h LYS 47 Ca 0.00 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 2k46 h LYS 47 Cb 0.13 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.07 2k46 h LYS 47 CO 0.00 0.00 -0.30 1.28 -2.00 0.00 0.00 179.45 178.43 2k46 n LEU 48 N -3.17 4.09 -4.96 7.07 7.99 -1.25 -5.08 117.00 121.68 2k46 n LEU 48 Ca 0.06 -5.32 -0.23 0.00 -0.01 0.00 0.00 56.01 50.51 2k46 n LEU 48 Cb 0.75 -0.85 0.05 0.00 -0.11 0.00 0.00 43.42 43.27 2k46 n LEU 48 CO 0.18 1.86 0.47 -2.16 -1.51 0.00 0.00 177.39 176.23 2k46 s PRO 49 N -2.15 2.36 0.44 3.23 0.04 -0.95 -4.93 135.00 133.05 2k46 s PRO 49 Ca 0.34 -0.62 -0.22 0.00 0.04 0.00 0.00 61.00 60.54 2k46 s PRO 49 Cb 0.06 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2k46 s PRO 49 CO -0.05 -0.95 1.04 0.42 0.04 0.00 0.00 177.00 177.50 2k46 s ILE 50 N -2.96 3.80 -0.23 0.56 1.09 -1.26 -4.87 121.20 117.33 2k46 s ILE 50 Ca 0.59 1.23 -0.17 0.00 -1.10 0.00 0.00 60.65 61.19 2k46 s ILE 50 Cb -0.10 -3.56 -0.14 0.00 -1.06 0.00 0.00 42.46 37.60 2k46 s ILE 50 CO 0.41 -0.14 -0.08 0.18 -0.10 0.00 0.00 174.94 175.21 2k46 n LEU 51 N -0.55 1.90 -1.41 2.97 7.99 -1.26 -4.45 117.00 122.19 2k46 n LEU 51 Ca 0.07 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 2k46 n LEU 51 Cb 0.51 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2k46 n LEU 51 CO 0.42 0.27 0.59 0.54 -1.51 0.00 0.00 177.39 177.70 2k46 n ARG 52 N -4.38 0.71 -3.74 3.23 3.00 -1.26 -4.75 116.66 109.46 2k46 n ARG 52 Ca -0.37 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.33 2k46 n ARG 52 Cb 0.71 -1.14 -0.09 0.00 0.00 0.00 0.00 32.46 31.94 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k46 s SER 53 N 1.64 -0.23 0.53 0.55 0.15 -1.26 -4.90 113.70 110.18 2k46 s SER 53 Ca 0.00 0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 2k46 s SER 53 Cb 0.00 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 2k46 s SER 53 CO 0.00 -0.44 1.27 0.21 1.20 0.00 0.00 173.24 175.48 2k46 s ASN 54 N -1.24 5.52 0.26 5.45 2.47 -1.26 -4.63 114.94 121.51 2k46 s ASN 54 Ca -0.13 2.55 -0.11 0.00 0.42 0.00 0.00 52.86 55.60 2k46 s ASN 54 Cb -0.05 -2.62 0.38 0.00 -1.45 0.00 0.00 41.25 37.51 2k46 s ASN 54 CO 0.04 -1.38 1.57 -0.65 -3.72 0.00 0.00 177.10 172.97 2k46 h PRO 55 N 1.53 -0.01 0.35 0.43 0.11 -1.96 1.87 132.00 134.32 2k46 h PRO 55 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2k46 h PRO 55 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2k46 h PRO 55 CO 0.58 -0.00 -0.17 1.05 -0.21 0.00 0.00 178.00 179.25 2k46 h GLU 56 N -0.01 -0.45 0.00 1.05 4.11 -1.97 -2.66 114.58 114.66 2k46 h GLU 56 Ca 0.42 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.88 2k46 h GLU 56 Cb 0.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k46 h GLU 56 CO -0.94 -0.13 0.00 -3.47 0.07 0.00 0.00 179.01 174.54 2k46 n ASP 57 N -5.15 0.19 -0.01 3.06 2.03 -0.81 -1.24 116.55 114.62 2k46 n ASP 57 Ca -0.10 0.55 -0.12 0.00 0.52 0.00 0.00 54.79 55.65 2k46 n ASP 57 Cb 0.27 -0.59 -0.08 0.00 -0.72 0.00 0.00 41.12 40.00 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 0.08 -0.58 -0.67 4.15 0.32 0.17 115.11 118.59 2k46 h GLN 58 Ca 0.00 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.51 2k46 h GLN 58 Cb 0.23 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.82 2k46 h GLN 58 CO 0.00 0.36 0.07 0.28 -1.93 0.00 0.00 178.83 177.61 2k46 h VAL 59 N -0.20 0.59 0.00 2.39 2.07 -0.97 1.00 116.25 121.14 2k46 h VAL 59 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k46 h VAL 59 Cb 0.32 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2k46 h VAL 59 CO 0.00 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 177.52 2k46 n LEU 60 N -5.19 0.49 -0.17 2.57 7.94 -1.03 -2.06 117.00 119.55 2k46 n LEU 60 Ca 0.08 0.61 0.09 0.00 -1.11 0.00 0.00 56.01 55.68 2k46 n LEU 60 Cb 0.32 -0.53 0.14 0.00 0.53 0.00 0.00 43.42 43.88 2k46 n LEU 60 CO 0.15 -0.42 0.52 -1.22 -1.11 0.00 0.00 177.39 175.31 2k46 n TYR 61 N -2.03 0.00 0.15 1.96 4.02 0.12 -4.48 117.16 116.89 2k46 n TYR 61 Ca 0.03 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 56.93 2k46 n TYR 61 Cb 0.24 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.30 0.00 -1.52 -0.72 7.27 0.30 -4.76 117.38 116.65 2k46 n GLN 62 Ca 0.15 0.00 -0.49 0.00 0.07 0.00 0.00 57.00 56.74 2k46 n GLN 62 Cb 0.65 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.27 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N -3.48 1.37 -4.36 1.69 -2.24 -0.88 -4.75 114.28 101.64 2k46 n THR 63 Ca 0.00 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.16 2k46 n THR 63 Cb 0.00 -0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k46 s GLU 64 N -0.80 1.32 0.09 -0.78 -1.05 -1.25 -3.95 118.70 112.28 2k46 s GLU 64 Ca 0.69 -1.30 0.09 0.00 -0.15 0.00 0.00 54.97 54.30 2k46 s GLU 64 Cb -0.88 -1.75 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 2k46 s GLU 64 CO 0.56 0.41 -0.21 0.50 0.95 0.00 0.00 175.26 177.46 2k46 s ARG 65 N -2.02 1.78 0.47 -4.83 3.52 -1.11 -4.10 118.95 112.65 2k46 s ARG 65 Ca 0.12 -1.15 -0.21 0.00 -0.13 0.00 0.00 55.73 54.35 2k46 s ARG 65 Cb -0.10 -2.06 -0.08 0.00 -1.56 0.00 0.00 34.95 31.14 2k46 s ARG 65 CO 0.06 0.49 1.06 -0.47 -0.81 0.00 0.00 175.30 175.63 2k46 s TYR 66 N -1.01 3.02 0.15 5.12 5.04 -1.26 -4.55 117.35 123.85 2k46 s TYR 66 Ca 0.15 1.59 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 2k46 s TYR 66 Cb -0.10 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.09 2k46 s TYR 66 CO 0.07 -0.90 0.24 0.09 -1.34 0.00 0.00 175.55 173.71 2k46 n ASN 67 N -0.75 -0.70 0.00 4.32 3.02 -1.26 -5.04 115.26 114.86 2k46 n ASN 67 Ca 0.08 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2k46 n ASN 67 Cb 0.51 1.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2k46 n GLU 68 N -0.22 0.00 -3.63 3.52 2.13 -1.26 -4.88 120.64 116.29 2k46 n GLU 68 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 2k46 n GLU 68 Cb 0.23 -0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.87 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k46 s ASP 69 N -4.87 -0.74 -0.27 4.31 1.47 -1.26 -4.91 116.67 110.40 2k46 s ASP 69 Ca 0.00 1.40 -0.05 0.00 1.18 0.00 0.00 52.55 55.09 2k46 s ASP 69 Cb 0.00 1.41 0.01 0.00 -0.34 0.00 0.00 42.92 44.00 2k46 s ASP 69 CO 0.00 -0.24 0.13 -0.24 0.68 0.00 0.00 175.17 175.50 2k46 n SER 70 N 2.84 -7.56 -3.98 2.11 2.88 -1.25 -5.00 113.62 103.66 2k46 n SER 70 Ca -0.15 0.99 -0.19 0.00 -1.33 0.00 0.00 58.87 58.19 2k46 n SER 70 Cb 0.56 -4.30 -0.15 0.00 -0.75 0.00 0.00 64.21 59.56 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -1.63 0.80 0.00 0.66 -0.71 -1.10 -4.96 117.98 111.05 2k46 s PHE 71 Ca 0.06 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 2k46 s PHE 71 Cb -0.01 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.22 2k46 s PHE 71 CO 0.61 -0.09 0.00 0.41 -1.34 0.00 0.00 175.22 174.82 2k46 n GLY 72 N 3.30 3.75 3.15 1.99 0.00 -1.26 -2.56 105.19 113.55 2k46 n GLY 72 Ca -0.18 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -1.78 0.83 -0.25 1.61 1.51 -0.41 -4.87 117.35 113.97 2k46 s TYR 73 Ca 0.00 -1.17 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 2k46 s TYR 73 Cb 0.00 -0.49 0.03 0.00 -0.11 0.00 0.00 41.96 41.40 2k46 s TYR 73 CO 0.00 -0.44 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.42 2k46 s ASP 74 N -3.03 4.34 -0.34 2.29 1.11 -1.26 -2.69 116.67 117.09 2k46 s ASP 74 Ca 0.20 -0.98 -0.09 0.00 0.18 0.00 0.00 52.55 51.86 2k46 s ASP 74 Cb 0.07 -1.64 0.02 0.00 1.07 0.00 0.00 42.92 42.43 2k46 s ASP 74 CO -0.01 -0.15 0.16 -0.63 1.18 0.00 0.00 175.17 175.72 2k46 s ILE 75 N 1.28 4.38 0.23 0.77 1.09 -0.18 -4.97 121.20 123.80 2k46 s ILE 75 Ca -0.01 -0.74 -0.26 0.00 -1.10 0.00 0.00 60.65 58.53 2k46 s ILE 75 Cb -0.17 -3.35 -0.09 0.00 -1.06 0.00 0.00 42.46 37.79 2k46 s ILE 75 CO -0.05 -0.09 0.86 -2.16 -0.10 0.00 0.00 174.94 173.41 2k46 s PRO 76 N 1.54 4.64 0.08 2.79 0.04 -1.26 0.10 135.00 142.92 2k46 s PRO 76 Ca 0.02 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.38 2k46 s PRO 76 Cb -0.18 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2k46 s PRO 76 CO 0.05 0.47 -0.12 0.42 0.04 0.00 0.00 177.00 177.87 2k46 s ILE 77 N -1.30 0.97 0.00 0.56 1.01 -1.25 -4.93 121.20 116.26 2k46 s ILE 77 Ca 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2k46 s ILE 77 Cb -0.22 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.16 2k46 s ILE 77 CO 0.27 -0.36 0.00 0.29 0.00 0.00 0.00 174.94 175.14 2k46 n LYS 78 N 1.07 0.00 -4.64 2.79 5.02 -1.26 -4.89 118.16 116.26 2k46 n LYS 78 Ca -0.20 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.80 2k46 n LYS 78 Cb 0.55 -0.23 -0.10 0.00 -0.02 0.00 0.00 35.03 35.24 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N 0.00 2.06 0.41 1.97 0.41 -1.26 -5.13 118.70 117.15 2k46 s GLU 79 Ca 0.00 -2.20 0.03 0.00 -0.41 0.00 0.00 54.97 52.40 2k46 s GLU 79 Cb 0.00 -1.62 -0.03 0.00 -1.78 0.00 0.00 34.13 30.69 2k46 s GLU 79 CO 0.00 -0.17 0.08 -1.21 -0.49 0.00 0.00 175.26 173.47 2k46 s GLU 80 N -3.79 1.91 0.00 1.61 8.01 -1.26 -5.01 118.70 120.17 2k46 s GLU 80 Ca 0.25 -2.15 0.00 0.00 0.01 0.00 0.00 54.97 53.08 2k46 s GLU 80 Cb 0.07 -0.89 0.00 0.00 -4.31 0.00 0.00 34.13 29.00 2k46 s GLU 80 CO 0.13 -0.36 0.00 0.41 0.01 0.00 0.00 175.26 175.45 2k46 n GLY 81 N -0.92 0.47 3.36 -1.39 0.00 -0.62 -4.84 105.19 101.26 2k46 n GLY 81 Ca -0.07 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.23 2.79 -0.19 1.61 2.02 -1.12 -1.13 118.70 121.45 2k46 s GLU 82 Ca 0.00 -1.13 -0.14 0.00 0.02 0.00 0.00 54.97 53.72 2k46 s GLU 82 Cb 0.00 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 2k46 s GLU 82 CO 0.00 -0.73 0.31 0.71 0.02 0.00 0.00 175.26 175.57 2k46 s TYR 83 N 1.54 3.40 -0.20 1.61 1.51 -0.54 -0.19 117.35 124.49 2k46 s TYR 83 Ca 0.02 0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 56.59 2k46 s TYR 83 Cb -0.20 -2.40 -0.00 0.00 -0.11 0.00 0.00 41.96 39.25 2k46 s TYR 83 CO 0.06 0.12 -0.08 0.08 -1.11 0.00 0.00 175.55 174.61 2k46 s VAL 84 N 0.88 3.06 -0.50 0.71 1.01 -1.02 -0.28 120.40 124.26 2k46 s VAL 84 Ca 0.16 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2k46 s VAL 84 Cb -0.14 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.93 2k46 s VAL 84 CO 0.05 0.46 0.63 -0.76 0.00 0.00 0.00 175.10 175.48 2k46 s LEU 85 N 1.34 4.93 -0.29 3.92 1.43 -1.10 -2.65 118.68 126.26 2k46 s LEU 85 Ca 0.04 -0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 2k46 s LEU 85 Cb -0.14 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2k46 s LEU 85 CO -0.05 -0.89 0.11 -0.69 0.23 0.00 0.00 176.35 175.07 2k46 s VAL 86 N 2.65 4.31 -0.04 -1.59 1.01 -0.10 -2.27 120.40 124.37 2k46 s VAL 86 Ca 0.16 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2k46 s VAL 86 Cb -0.19 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2k46 s VAL 86 CO 0.12 0.13 -0.09 -1.48 0.00 0.00 0.00 175.10 173.78 2k46 s LEU 87 N 1.57 1.69 -0.29 3.92 2.34 -1.11 -0.64 118.68 126.15 2k46 s LEU 87 Ca 0.04 -0.21 -0.11 0.00 0.06 0.00 0.00 54.13 53.91 2k46 s LEU 87 Cb -0.17 -0.61 -0.04 0.00 -0.56 0.00 0.00 46.19 44.81 2k46 s LEU 87 CO 0.04 0.04 0.20 -0.75 -1.06 0.00 0.00 176.35 174.83 2k46 s LYS 88 N 0.40 3.83 -0.12 1.48 2.47 -1.18 -2.40 119.74 124.21 2k46 s LYS 88 Ca -0.07 -0.41 -0.04 0.00 -1.56 0.00 0.00 55.97 53.90 2k46 s LYS 88 Cb -0.11 -3.69 -0.03 0.00 -1.46 0.00 0.00 37.83 32.53 2k46 s LYS 88 CO 0.01 -0.25 0.02 -0.06 0.16 0.00 0.00 175.35 175.23 2k46 s PHE 89 N 1.75 3.20 0.24 4.03 0.08 -0.92 -1.21 117.98 125.16 2k46 s PHE 89 Ca 0.07 0.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.10 2k46 s PHE 89 Cb -0.16 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2k46 s PHE 89 CO 0.11 0.36 0.53 0.00 -0.10 0.00 0.00 175.22 176.12 2k46 s ALA 90 N -0.48 -0.52 0.00 5.36 0.00 -1.15 -0.43 121.76 124.53 2k46 s ALA 90 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2k46 s ALA 90 Cb -0.12 0.99 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2k46 s ALA 90 CO 0.02 -0.88 0.00 -1.91 0.00 0.00 0.00 175.76 172.99 2k46 n GLU 91 N -0.39 0.00 -3.48 0.00 2.13 -1.26 -1.48 120.64 116.17 2k46 n GLU 91 Ca -0.03 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.53 2k46 n GLU 91 Cb 0.61 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.20 2k46 n GLU 91 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k46 s VAL 92 N -0.77 -0.08 0.00 6.31 1.01 -1.26 -4.71 120.40 120.90 2k46 s VAL 92 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2k46 s VAL 92 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2k46 s VAL 92 CO 0.00 -0.77 0.00 -1.22 0.00 0.00 0.00 175.10 173.11 2k46 n TYR 93 N 4.76 -0.17 -0.03 5.22 4.02 -1.26 -4.99 117.16 124.70 2k46 n TYR 93 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 2k46 n TYR 93 Cb 0.41 0.11 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2k46 n PHE 94 N -1.32 0.85 -2.77 -0.72 3.72 -1.26 -5.06 117.46 110.90 2k46 n PHE 94 Ca 0.00 0.25 -0.01 0.00 -0.05 0.00 0.00 57.45 57.64 2k46 n PHE 94 Cb 0.00 -1.14 -0.01 0.00 -0.94 0.00 0.00 39.48 37.39 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 n ALA 95 N -2.77 -3.26 -3.61 4.37 0.00 -1.26 -5.07 120.51 108.91 2k46 n ALA 95 Ca -0.26 0.80 -0.06 0.00 0.00 0.00 0.00 53.44 53.92 2k46 n ALA 95 Cb 1.06 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 2k46 n ALA 95 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2k46 s GLN 96 N -1.31 0.31 0.86 0.00 -2.07 -1.26 -5.10 119.66 111.08 2k46 s GLN 96 Ca -0.06 0.05 -0.08 0.00 -1.82 0.00 0.00 55.36 53.45 2k46 s GLN 96 Cb 0.00 0.15 0.18 0.00 -1.09 0.00 0.00 33.01 32.25 2k46 s GLN 96 CO 0.66 -0.10 1.17 -1.12 -1.32 0.00 0.00 175.29 174.58 2k46 s SER 97 N -1.20 3.61 0.00 12.60 0.01 -1.26 -3.96 113.70 123.49 2k46 s SER 97 Ca 0.05 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2k46 s SER 97 Cb -0.01 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2k46 s SER 97 CO -0.04 -2.38 0.00 0.00 0.41 0.00 0.00 173.24 171.24 2k46 n GLN 98 N -3.33 0.00 0.25 12.44 1.13 -1.26 -4.06 117.38 122.54 2k46 n GLN 98 Ca 0.16 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.39 2k46 n GLN 98 Cb 0.60 0.00 0.86 0.00 0.11 0.00 0.00 30.24 31.81 2k46 n GLN 98 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2k46 h GLN 99 N 0.00 0.00 -1.87 -1.09 4.20 -1.99 -2.54 115.11 111.82 2k46 h GLN 99 Ca 0.00 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.03 2k46 h GLN 99 Cb 0.00 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.43 2k46 h GLN 99 CO 0.00 0.00 0.14 1.63 -0.67 0.00 0.00 178.83 179.93 2k46 n LYS 100 N -2.70 3.37 -4.49 1.46 4.01 -1.25 -4.36 118.16 114.19 2k46 n LYS 100 Ca -0.01 -4.20 -0.34 0.00 -0.51 0.00 0.00 58.31 53.25 2k46 n LYS 100 Cb 0.11 -2.28 -0.12 0.00 -0.51 0.00 0.00 35.03 32.23 2k46 n LYS 100 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k46 s VAL 101 N -5.12 3.82 0.22 -0.18 1.01 -0.96 -3.52 120.40 115.68 2k46 s VAL 101 Ca 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2k46 s VAL 101 Cb 0.38 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2k46 s VAL 101 CO -0.26 0.54 0.14 -0.36 0.00 0.00 0.00 175.10 175.15 2k46 s PHE 102 N -0.12 1.29 -0.08 5.22 0.08 -0.91 -3.54 117.98 119.92 2k46 s PHE 102 Ca 0.02 -1.37 0.02 0.00 0.12 0.00 0.00 56.93 55.72 2k46 s PHE 102 Cb -0.13 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2k46 s PHE 102 CO 0.03 -0.60 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.92 2k46 s ASP 103 N -3.21 4.23 -0.07 1.36 1.11 -1.10 0.26 116.67 119.25 2k46 s ASP 103 Ca 0.39 -0.18 0.02 0.00 0.18 0.00 0.00 52.55 52.96 2k46 s ASP 103 Cb 0.07 -1.17 0.02 0.00 1.07 0.00 0.00 42.92 42.91 2k46 s ASP 103 CO 0.14 0.30 -0.10 -0.69 1.18 0.00 0.00 175.17 175.99 2k46 s VAL 104 N -0.42 0.99 0.04 -1.27 1.01 -0.49 -1.96 120.40 118.30 2k46 s VAL 104 Ca 0.05 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2k46 s VAL 104 Cb -0.12 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2k46 s VAL 104 CO 0.02 0.33 -0.10 0.00 0.00 0.00 0.00 175.10 175.35 2k46 s ARG 105 N 0.82 0.66 -0.16 2.72 1.70 -0.72 -1.41 118.95 122.56 2k46 s ARG 105 Ca -0.12 -0.71 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 2k46 s ARG 105 Cb -0.15 -0.56 0.02 0.00 -0.57 0.00 0.00 34.95 33.69 2k46 s ARG 105 CO 0.02 0.13 -0.17 0.14 -1.08 0.00 0.00 175.30 174.33 2k46 s VAL 106 N -1.05 1.82 -1.48 4.99 -7.23 0.48 -2.42 120.40 115.52 2k46 s VAL 106 Ca -0.04 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2k46 s VAL 106 Cb -0.08 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.19 2k46 s VAL 106 CO 0.01 0.50 0.00 -3.20 -0.31 0.00 0.00 175.10 172.10 2k46 n ASN 107 N 4.63 -4.66 0.00 4.85 4.05 0.17 -0.26 115.26 124.05 2k46 n ASN 107 Ca -0.19 0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.02 2k46 n ASN 107 Cb 0.50 -3.99 0.00 0.00 1.23 0.00 0.00 39.78 37.52 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k46 n GLY 108 N -0.73 0.76 3.26 8.20 0.00 -1.24 -4.81 105.19 110.63 2k46 n GLY 108 Ca -0.18 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.22 -0.27 1.61 3.76 0.65 -5.04 115.29 117.21 2k46 s HIS 109 Ca 0.00 -1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 53.19 2k46 s HIS 109 Cb 0.00 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 2k46 s HIS 109 CO 0.00 -0.72 1.68 0.95 -0.85 0.00 0.00 174.74 175.80 2k46 s THR 110 N 1.39 3.61 -0.13 1.30 -4.23 -1.26 -0.38 115.64 115.94 2k46 s THR 110 Ca -0.01 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 2k46 s THR 110 Cb -0.19 -3.71 -0.10 0.00 1.34 0.00 0.00 72.50 69.84 2k46 s THR 110 CO 0.02 -0.37 -0.07 0.52 -0.54 0.00 0.00 174.62 174.17 2k46 n VAL 111 N 6.86 0.75 -3.78 2.29 0.31 -0.50 -4.87 118.33 119.39 2k46 n VAL 111 Ca 0.20 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 2k46 n VAL 111 Cb 0.46 -0.90 -0.13 0.00 -0.91 0.00 0.00 33.84 32.35 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -2.26 1.65 0.01 2.52 1.01 -1.12 -5.04 120.40 117.17 2k46 s VAL 112 Ca -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 61.98 59.22 2k46 s VAL 112 Cb 0.04 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2k46 s VAL 112 CO 0.34 -0.84 0.14 -1.59 0.00 0.00 0.00 175.10 173.16 2k46 s LYS 113 N 0.35 3.27 -0.23 2.72 -2.85 -1.26 -1.39 119.74 120.35 2k46 s LYS 113 Ca 0.16 -0.42 -0.00 0.00 -1.00 0.00 0.00 55.97 54.71 2k46 s LYS 113 Cb -0.24 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.55 2k46 s LYS 113 CO -0.02 0.65 0.05 -0.25 0.10 0.00 0.00 175.35 175.88 2k46 n ASP 114 N 0.89 -1.99 -4.54 0.03 9.92 0.14 -4.89 116.55 116.12 2k46 n ASP 114 Ca -0.11 -0.03 -0.18 0.00 -0.53 0.00 0.00 54.79 53.95 2k46 n ASP 114 Cb 0.52 -1.12 -0.12 0.00 -0.64 0.00 0.00 41.12 39.76 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k46 n LEU 115 N -0.65 0.76 -4.30 0.64 0.00 0.14 -4.43 117.00 109.16 2k46 n LEU 115 Ca -0.02 -1.10 -0.45 0.00 0.00 0.00 0.00 56.01 54.44 2k46 n LEU 115 Cb 0.52 -1.29 -0.02 0.00 0.00 0.00 0.00 43.42 42.64 2k46 n LEU 115 CO 0.06 -2.16 0.58 1.51 0.00 0.00 0.00 177.39 177.38 2k46 s ASP 116 N 7.50 6.91 0.37 1.96 -4.77 -1.23 -2.14 116.67 125.27 2k46 s ASP 116 Ca 1.07 -3.25 0.13 0.00 -3.30 0.00 0.00 52.55 47.19 2k46 s ASP 116 Cb -0.39 -2.17 0.94 0.00 -1.09 0.00 0.00 42.92 40.22 2k46 s ASP 116 CO 0.26 -0.38 1.81 0.16 0.70 0.00 0.00 175.17 177.71 2k46 h ILE 117 N 4.17 0.67 -0.60 2.11 3.07 -1.89 -1.01 117.51 124.03 2k46 h ILE 117 Ca 0.14 -0.19 0.05 0.00 1.55 0.00 0.00 64.86 66.41 2k46 h ILE 117 Cb 0.93 0.06 -0.05 0.00 -0.27 0.00 0.00 36.82 37.49 2k46 h ILE 117 CO 0.89 0.10 0.33 0.15 -1.05 0.00 0.00 178.15 178.57 2k46 h PHE 118 N 0.56 0.60 0.00 0.16 3.57 -1.84 -1.64 116.94 118.35 2k46 h PHE 118 Ca 0.53 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.95 2k46 h PHE 118 Cb 1.11 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2k46 h PHE 118 CO -0.00 0.30 -0.50 0.22 -2.23 0.00 0.00 178.31 176.09 2k46 h ASP 119 N 0.62 0.00 0.35 0.41 1.82 -1.47 0.18 116.42 118.33 2k46 h ASP 119 Ca 0.27 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2k46 h ASP 119 Cb 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2k46 h ASP 119 CO -0.17 0.50 -0.17 0.03 -1.61 0.00 0.00 179.24 177.82 2k46 h ARG 120 N 0.00 -0.45 0.14 0.28 2.47 -0.99 -3.39 114.38 112.44 2k46 h ARG 120 Ca -0.00 0.03 -0.36 0.00 -1.26 0.00 0.00 59.98 58.39 2k46 h ARG 120 Cb 0.99 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 2k46 h ARG 120 CO 0.06 -0.23 -1.88 -0.39 0.56 0.00 0.00 179.97 178.09 2k46 h VAL 121 N -1.08 0.74 0.00 2.04 -1.51 -1.44 -3.50 116.25 111.49 2k46 h VAL 121 Ca -0.05 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 63.03 2k46 h VAL 121 Cb 0.43 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 2k46 h VAL 121 CO 0.08 0.87 0.00 0.61 -1.23 0.00 0.00 177.57 177.90 2k46 n GLY 122 N 1.93 1.49 3.17 5.19 0.00 0.63 -4.94 105.19 112.66 2k46 n GLY 122 Ca -0.30 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 2k46 n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 123 N 0.00 3.25 0.00 1.61 3.76 -1.26 -4.71 115.29 117.94 2k46 s HIS 123 Ca 0.00 -1.87 0.00 0.00 -0.15 0.00 0.00 55.06 53.04 2k46 s HIS 123 Cb 0.00 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.60 2k46 s HIS 123 CO 0.00 -0.80 0.00 -1.13 -0.85 0.00 0.00 174.74 171.96 2k46 n SER 124 N 4.61 0.00 -0.65 1.40 3.41 -1.26 -4.98 113.62 116.15 2k46 n SER 124 Ca -0.14 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.51 2k46 n SER 124 Cb 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k46 n THR 125 N 0.00 0.00 -4.30 6.66 -2.24 -1.26 -4.87 114.28 108.27 2k46 n THR 125 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2k46 n THR 125 Cb 0.00 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.06 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.61 3.35 0.20 6.98 0.00 -1.26 -4.50 121.76 124.91 2k46 s ALA 126 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2k46 s ALA 126 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2k46 s ALA 126 CO 0.00 0.62 0.27 -1.58 0.00 0.00 0.00 175.76 175.07 2k46 s HIS 127 N -0.97 3.36 -0.15 0.00 2.46 0.42 -4.93 115.29 115.48 2k46 s HIS 127 Ca 0.16 0.01 -0.04 0.00 0.47 0.00 0.00 55.06 55.66 2k46 s HIS 127 Cb -0.11 -1.57 0.07 0.00 -0.13 0.00 0.00 32.58 30.84 2k46 s HIS 127 CO 0.05 0.49 0.16 0.16 -2.47 0.00 0.00 174.74 173.14 2k46 s ASP 128 N -3.55 1.44 -0.27 9.88 -4.77 -1.26 -2.17 116.67 115.96 2k46 s ASP 128 Ca 0.33 -0.14 -0.07 0.00 -3.30 0.00 0.00 52.55 49.37 2k46 s ASP 128 Cb -0.10 0.16 -0.00 0.00 -1.09 0.00 0.00 42.92 41.89 2k46 s ASP 128 CO 0.27 -0.30 0.06 -1.61 0.70 0.00 0.00 175.17 174.29 2k46 s GLU 129 N 2.26 3.28 -0.15 2.11 0.41 -1.01 -5.02 118.70 120.58 2k46 s GLU 129 Ca 0.04 -0.72 -0.03 0.00 -0.41 0.00 0.00 54.97 53.85 2k46 s GLU 129 Cb -0.14 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.86 2k46 s GLU 129 CO -0.09 -0.34 -0.05 0.42 -0.49 0.00 0.00 175.26 174.71 2k46 s ILE 130 N 1.53 3.79 -0.40 -1.63 1.01 -1.26 -2.73 121.20 121.51 2k46 s ILE 130 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2k46 s ILE 130 Cb -0.16 -2.65 0.14 0.00 0.01 0.00 0.00 42.46 39.79 2k46 s ILE 130 CO 0.02 0.50 0.23 -0.63 0.00 0.00 0.00 174.94 175.06 2k46 s ILE 131 N 0.35 0.79 0.62 2.92 1.01 -0.96 -5.00 121.20 120.93 2k46 s ILE 131 Ca -0.05 -2.18 -0.19 0.00 0.00 0.00 0.00 60.65 58.24 2k46 s ILE 131 Cb -0.14 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2k46 s ILE 131 CO 0.03 -0.95 1.28 -2.84 0.00 0.00 0.00 174.94 172.46 2k46 s PRO 132 N 0.66 2.71 0.04 2.79 0.02 -1.26 -2.70 135.00 137.26 2k46 s PRO 132 Ca 0.18 2.02 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 2k46 s PRO 132 Cb -0.23 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 2k46 s PRO 132 CO -0.00 -1.46 -0.03 0.42 -0.33 0.00 0.00 177.00 175.60 2k46 s ILE 133 N -1.43 0.18 -0.24 2.83 1.01 0.62 -4.36 121.20 119.81 2k46 s ILE 133 Ca 0.80 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2k46 s ILE 133 Cb -0.36 -1.11 0.07 0.00 0.01 0.00 0.00 42.46 41.07 2k46 s ILE 133 CO 0.39 -0.83 0.02 -0.55 0.00 0.00 0.00 174.94 173.97 2k46 s SER 134 N -2.44 3.55 -0.17 3.58 0.15 -1.07 -1.47 113.70 115.83 2k46 s SER 134 Ca -0.01 -1.18 -0.05 0.00 0.70 0.00 0.00 55.95 55.42 2k46 s SER 134 Cb 0.02 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2k46 s SER 134 CO -0.07 -0.31 -0.01 -0.63 1.20 0.00 0.00 173.24 173.42 2k46 s ILE 135 N 1.62 4.13 -0.10 6.45 1.01 -0.28 -2.12 121.20 131.90 2k46 s ILE 135 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2k46 s ILE 135 Cb -0.18 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2k46 s ILE 135 CO -0.12 0.47 0.27 -0.54 0.00 0.00 0.00 174.94 175.03 2k46 s LYS 136 N 0.47 0.32 -1.36 2.79 1.02 -0.50 -1.59 119.74 120.88 2k46 s LYS 136 Ca -0.01 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2k46 s LYS 136 Cb -0.14 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 2k46 s LYS 136 CO 0.02 -0.05 0.00 1.17 -0.92 0.00 0.00 175.35 175.58 2k46 n LYS 137 N 3.02 -1.92 -1.90 1.68 4.81 -1.26 -0.44 118.16 122.15 2k46 n LYS 137 Ca -0.14 0.77 -0.03 0.00 -0.87 0.00 0.00 58.31 58.04 2k46 n LYS 137 Cb 0.58 -5.34 -0.00 0.00 0.02 0.00 0.00 35.03 30.29 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 138 N -0.78 0.31 3.32 3.14 0.00 -1.26 -5.03 105.19 104.88 2k46 n GLY 138 Ca -0.18 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 2k46 n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 139 N -3.84 1.54 -0.12 1.61 2.20 0.42 -2.14 119.74 119.40 2k46 s LYS 139 Ca 0.00 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 2k46 s LYS 139 Cb 0.00 -1.76 -0.02 0.00 -1.51 0.00 0.00 37.83 34.54 2k46 s LYS 139 CO 0.00 0.44 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.13 2k46 s LEU 140 N -1.43 2.71 -0.23 5.43 0.20 0.48 -1.41 118.68 124.43 2k46 s LEU 140 Ca 0.10 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.60 2k46 s LEU 140 Cb -0.10 -1.60 0.06 0.00 -0.43 0.00 0.00 46.19 44.12 2k46 s LEU 140 CO 0.03 0.18 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.68 2k46 s SER 141 N 0.27 3.70 -0.17 3.68 0.15 -0.90 -0.67 113.70 119.76 2k46 s SER 141 Ca -0.10 -1.12 -0.08 0.00 0.70 0.00 0.00 55.95 55.36 2k46 s SER 141 Cb -0.16 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2k46 s SER 141 CO 0.05 -0.25 0.08 0.54 1.20 0.00 0.00 173.24 174.86 2k46 s VAL 142 N 1.47 4.93 0.00 4.45 0.11 -0.69 -2.60 120.40 128.07 2k46 s VAL 142 Ca -0.05 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2k46 s VAL 142 Cb -0.19 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 2k46 s VAL 142 CO -0.06 0.48 0.00 0.00 -3.33 0.00 0.00 175.10 172.18 2k46 n GLN 143 N 3.32 0.00 -0.97 1.54 1.13 -1.26 -0.15 117.38 121.00 2k46 n GLN 143 Ca -0.17 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 54.92 2k46 n GLN 143 Cb 0.52 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.91 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k46 n GLY 144 N 0.00 1.50 3.24 1.08 0.00 -1.26 -5.07 105.19 104.69 2k46 n GLY 144 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -0.52 1.55 0.01 1.61 2.12 0.79 -5.14 118.70 119.12 2k46 s GLU 145 Ca 0.23 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.70 2k46 s GLU 145 Cb 0.25 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 2k46 s GLU 145 CO -0.09 0.42 0.06 0.54 -0.54 0.00 0.00 175.26 175.65 2k46 s VAL 146 N -0.66 4.54 0.19 3.70 0.11 -1.26 -1.70 120.40 125.32 2k46 s VAL 146 Ca 0.08 -0.52 -0.24 0.00 -2.93 0.00 0.00 61.98 58.38 2k46 s VAL 146 Cb -0.09 -3.08 0.05 0.00 -1.53 0.00 0.00 36.38 31.73 2k46 s VAL 146 CO 0.01 0.32 0.82 -0.55 -3.33 0.00 0.00 175.10 172.36 2k46 s SER 147 N -1.79 -0.27 -0.12 3.54 0.15 0.16 -5.01 113.70 110.36 2k46 s SER 147 Ca 0.23 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 2k46 s SER 147 Cb -0.12 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2k46 s SER 147 CO 0.14 -1.06 0.16 0.42 1.20 0.00 0.00 173.24 174.10 2k46 s THR 148 N -3.57 5.48 -0.13 6.45 -4.23 -1.26 -0.38 115.64 117.99 2k46 s THR 148 Ca 0.10 0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.56 2k46 s THR 148 Cb -0.03 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 2k46 s THR 148 CO 0.01 0.61 1.05 0.12 -0.54 0.00 0.00 174.62 175.87 2k46 s PHE 149 N -0.97 3.41 -0.39 3.99 5.36 -0.91 -4.65 117.98 123.81 2k46 s PHE 149 Ca 0.15 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 2k46 s PHE 149 Cb -0.12 -3.25 0.12 0.00 -0.34 0.00 0.00 43.02 39.43 2k46 s PHE 149 CO 0.04 -0.48 0.17 0.99 -1.46 0.00 0.00 175.22 174.49 2k46 s THR 150 N 2.37 1.34 0.00 0.12 2.01 -1.26 -4.80 115.64 115.42 2k46 s THR 150 Ca 0.49 -2.17 0.00 0.00 0.31 0.00 0.00 61.69 60.32 2k46 s THR 150 Cb -0.18 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.36 2k46 s THR 150 CO 0.16 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 173.90 2k46 n GLY 151 N 4.04 1.03 3.46 4.40 0.00 -1.26 -4.85 105.19 112.00 2k46 n GLY 151 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2k46 n GLY 151 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 152 N 0.00 1.14 -0.03 1.61 2.36 -1.26 -3.80 119.74 119.75 2k46 s LYS 152 Ca 0.00 -0.10 -0.23 0.00 -2.55 0.00 0.00 55.97 53.09 2k46 s LYS 152 Cb 0.00 0.53 -0.04 0.00 -1.05 0.00 0.00 37.83 37.27 2k46 s LYS 152 CO 0.00 -0.42 0.70 -1.17 1.55 0.00 0.00 175.35 176.00 2k46 s LEU 153 N -1.91 4.36 -0.23 5.43 0.20 0.12 -4.91 118.68 121.74 2k46 s LEU 153 Ca -0.06 1.24 0.01 0.00 0.69 0.00 0.00 54.13 56.01 2k46 s LEU 153 Cb -0.00 -3.09 0.04 0.00 -0.43 0.00 0.00 46.19 42.70 2k46 s LEU 153 CO -0.01 -0.05 -0.12 -0.55 -0.29 0.00 0.00 176.35 175.34 2k46 s SER 154 N 0.45 4.03 -0.30 3.68 0.15 -1.26 -1.01 113.70 119.45 2k46 s SER 154 Ca 0.37 -0.99 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 2k46 s SER 154 Cb -0.18 -1.57 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 2k46 s SER 154 CO 0.19 -0.11 0.02 -0.69 1.20 0.00 0.00 173.24 173.85 2k46 s VAL 155 N 1.24 3.31 0.06 4.45 1.01 -1.09 0.43 120.40 129.81 2k46 s VAL 155 Ca -0.02 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2k46 s VAL 155 Cb -0.17 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2k46 s VAL 155 CO -0.07 -0.02 -0.01 -1.61 0.00 0.00 0.00 175.10 173.38 2k46 s GLU 156 N 1.35 0.65 -0.00 2.72 0.41 -1.02 -1.29 118.70 121.51 2k46 s GLU 156 Ca -0.02 -1.24 0.03 0.00 -0.41 0.00 0.00 54.97 53.33 2k46 s GLU 156 Cb -0.19 0.22 -0.01 0.00 -1.78 0.00 0.00 34.13 32.37 2k46 s GLU 156 CO -0.00 -0.13 -0.09 -0.59 -0.49 0.00 0.00 175.26 173.95 2k46 s PHE 157 N -3.93 0.83 -0.02 1.61 -0.71 -1.06 -1.75 117.98 112.95 2k46 s PHE 157 Ca 0.09 -0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 55.79 2k46 s PHE 157 Cb 0.08 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 2k46 s PHE 157 CO -0.09 -0.01 0.10 0.08 -1.34 0.00 0.00 175.22 173.96 2k46 s VAL 158 N -0.26 4.89 0.29 -2.49 1.01 -0.83 -2.71 120.40 120.29 2k46 s VAL 158 Ca 0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2k46 s VAL 158 Cb -0.04 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.00 2k46 s VAL 158 CO -0.00 0.39 1.49 2.29 0.00 0.00 0.00 175.10 179.27 2k46 n LYS 159 N 1.29 2.42 -0.04 2.72 2.85 -1.26 -2.70 118.16 123.43 2k46 n LYS 159 Ca -0.14 0.86 -0.05 0.00 -1.05 0.00 0.00 58.31 57.93 2k46 n LYS 159 Cb 0.53 -2.57 -0.06 0.00 -0.65 0.00 0.00 35.03 32.28 2k46 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k46 n GLY 160 N 1.84 -0.35 2.02 2.58 0.00 -1.23 -4.87 105.19 105.18 2k46 n GLY 160 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2k46 n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k46 n TYR 161 N -2.41 -1.56 -3.63 1.61 4.02 -1.26 -4.95 117.16 108.98 2k46 n TYR 161 Ca -0.15 0.30 -0.04 0.00 -0.01 0.00 0.00 57.90 58.01 2k46 n TYR 161 Cb 0.75 0.79 -0.04 0.00 -0.02 0.00 0.00 39.34 40.83 2k46 n TYR 161 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2k46 s TYR 162 N -1.45 -0.10 -1.07 -0.72 5.04 -1.26 -5.01 117.35 112.77 2k46 s TYR 162 Ca 0.00 0.15 -0.06 0.00 -2.44 0.00 0.00 57.07 54.72 2k46 s TYR 162 Cb 0.00 0.49 0.01 0.00 0.35 0.00 0.00 41.96 42.81 2k46 s TYR 162 CO 0.00 -0.10 0.93 -0.25 -1.34 0.00 0.00 175.55 174.79 2k46 n ASP 163 N 0.43 -5.17 -0.32 4.32 8.00 -1.26 -4.93 116.55 117.61 2k46 n ASP 163 Ca -0.01 -0.44 -0.02 0.00 0.71 0.00 0.00 54.79 55.04 2k46 n ASP 163 Cb 0.58 -4.12 0.14 0.00 -0.02 0.00 0.00 41.12 37.71 2k46 n ASP 163 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2k46 h ASN 164 N -2.10 1.07 -0.18 -2.24 -1.07 -1.95 -3.14 115.58 105.97 2k46 h ASN 164 Ca -0.46 -0.04 0.02 0.00 0.07 0.00 0.00 56.30 55.89 2k46 h ASN 164 Cb 1.29 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.25 2k46 h ASN 164 CO 0.44 0.80 -0.10 -2.65 0.07 0.00 0.00 177.43 175.99 2k46 n PRO 165 N -4.38 -0.07 0.00 4.14 -0.02 -1.26 -4.72 135.00 128.69 2k46 n PRO 165 Ca 0.10 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2k46 n PRO 165 Cb 0.04 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2k46 n PRO 165 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2k46 n LYS 166 N -4.22 0.00 -3.58 -0.52 2.85 -1.19 -4.56 118.16 106.94 2k46 n LYS 166 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.90 2k46 n LYS 166 Cb 0.05 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.36 2k46 n LYS 166 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2k46 s VAL 167 N 0.00 5.28 -0.07 0.58 1.01 -0.55 -3.80 120.40 122.85 2k46 s VAL 167 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2k46 s VAL 167 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2k46 s VAL 167 CO 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 2k46 n ALA 169 N 4.26 4.37 -1.12 0.00 0.00 -0.35 -0.34 120.51 127.32 2k46 n ALA 169 Ca -0.20 -3.53 -0.42 0.00 0.00 0.00 0.00 53.44 49.30 2k46 n ALA 169 Cb 0.51 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.77 -0.43 -3.25 0.00 -0.00 0.18 -3.13 117.00 109.62 2k46 n LEU 170 Ca 0.33 0.89 -0.04 0.00 -0.00 0.00 0.00 56.01 57.19 2k46 n LEU 170 Cb 0.89 -0.72 -0.04 0.00 -0.00 0.00 0.00 43.42 43.55 2k46 n LEU 170 CO 0.24 -1.84 0.00 0.12 -0.00 0.00 0.00 177.39 175.92 2k46 s PHE 171 N -0.34 -1.31 -0.20 1.96 5.36 0.18 -0.53 117.98 123.11 2k46 s PHE 171 Ca 0.61 0.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.26 2k46 s PHE 171 Cb -0.87 0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.86 2k46 s PHE 171 CO 0.44 -0.99 -0.02 -1.50 -1.46 0.00 0.00 175.22 171.69 2k46 s ILE 172 N 2.66 3.70 0.28 3.12 -1.16 0.06 -0.92 121.20 128.93 2k46 s ILE 172 Ca 0.11 -0.40 0.10 0.00 -0.51 0.00 0.00 60.65 59.95 2k46 s ILE 172 Cb -0.12 -2.66 -0.04 0.00 0.61 0.00 0.00 42.46 40.24 2k46 s ILE 172 CO -0.27 0.44 -0.03 0.00 -2.81 0.00 0.00 174.94 172.27 2k46 s MET 173 N 1.08 2.19 -0.00 3.50 0.00 -1.08 -2.70 119.30 122.29 2k46 s MET 173 Ca 0.02 -1.50 0.08 0.00 0.00 0.00 0.00 55.69 54.29 2k46 s MET 173 Cb -0.15 -2.09 -0.02 0.00 0.00 0.00 0.00 34.83 32.57 2k46 s MET 173 CO 0.01 0.33 -0.26 0.21 0.00 0.00 0.00 175.02 175.31 2k46 s LYS 174 N -3.66 2.04 0.00 3.16 2.36 -1.16 -2.44 119.74 120.04 2k46 s LYS 174 Ca 0.32 -0.97 0.00 0.00 -2.55 0.00 0.00 55.97 52.76 2k46 s LYS 174 Cb -0.06 -2.03 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 2k46 s LYS 174 CO 0.19 0.55 0.00 0.41 1.55 0.00 0.00 175.35 178.05 2k46 n GLY 175 N 2.27 2.65 0.00 5.54 0.00 0.74 -4.82 105.19 111.57 2k46 n GLY 175 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.06 2.61 -2.24 0.27 -2.79 114.28 112.19 2k46 n THR 176 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2k46 n THR 176 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.64 0.00 6.98 0.00 -1.95 -3.32 119.26 121.60 2k46 h ALA 177 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2k46 h ALA 177 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k46 h ALA 177 CO 0.00 0.91 0.00 -3.47 0.00 0.00 0.00 179.25 176.69 2k46 n ASP 178 N -3.04 0.00 -0.00 0.00 2.03 -1.26 -3.10 116.55 111.18 2k46 n ASP 178 Ca -0.06 0.50 -0.01 0.00 0.52 0.00 0.00 54.79 55.74 2k46 n ASP 178 Cb 0.83 -0.50 -0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2k46 n ASP 178 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k46 h ASP 179 N 0.00 -0.04 -0.18 1.67 3.32 -1.99 -3.44 116.42 115.77 2k46 h ASP 179 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2k46 h ASP 179 Cb 0.07 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.55 2k46 h ASP 179 CO 0.00 0.17 1.71 0.55 -1.72 0.00 0.00 179.24 179.95 2k46 n VAL 180 N -3.18 -0.01 -1.56 -1.35 3.14 -1.18 -4.76 118.33 109.43 2k46 n VAL 180 Ca -0.01 -0.09 -0.53 0.00 -2.96 0.00 0.00 64.34 60.76 2k46 n VAL 180 Cb 0.02 -0.75 -0.07 0.00 -1.06 0.00 0.00 33.84 31.97 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2k46 n PRO 181 N 8.48 1.19 -4.29 1.45 -0.02 -1.26 -4.95 135.00 135.61 2k46 n PRO 181 Ca 0.62 0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 62.30 2k46 n PRO 181 Cb 0.08 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.12 2k46 n PRO 181 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2k46 s MET 182 N 4.98 0.84 -0.26 -0.52 1.75 -1.26 -5.13 119.30 119.70 2k46 s MET 182 Ca 1.04 -0.74 -0.13 0.00 -1.25 0.00 0.00 55.69 54.62 2k46 s MET 182 Cb -0.95 -0.82 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 2k46 s MET 182 CO 0.56 0.20 0.26 -0.51 -0.65 0.00 0.00 175.02 174.88 2k46 s LEU 183 N -1.18 4.07 0.55 4.11 2.01 -1.26 -5.06 118.68 121.91 2k46 s LEU 183 Ca -0.00 0.17 -0.20 0.00 0.01 0.00 0.00 54.13 54.11 2k46 s LEU 183 Cb -0.08 -2.25 -0.06 0.00 0.01 0.00 0.00 46.19 43.81 2k46 s LEU 183 CO 0.01 -0.06 1.02 0.00 1.01 0.00 0.00 176.35 178.33 2k46 n GLN 184 N 4.87 1.10 -1.94 1.70 6.02 -1.26 -4.87 117.38 122.99 2k46 n GLN 184 Ca -0.12 0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 2k46 n GLN 184 Cb 0.52 -2.18 -0.03 0.00 1.02 0.00 0.00 30.24 29.56 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k46 s PRO 185 N -2.58 4.21 -0.03 -1.09 0.04 -1.26 -5.01 135.00 129.27 2k46 s PRO 185 Ca 0.72 2.33 0.02 0.00 0.04 0.00 0.00 61.00 64.10 2k46 s PRO 185 Cb -0.45 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.67 2k46 s PRO 185 CO 0.50 -0.68 -0.06 -1.58 0.04 0.00 0.00 177.00 175.22 2k46 s HIS 186 N 2.07 0.75 0.15 0.56 2.46 -1.26 -5.05 115.29 114.97 2k46 s HIS 186 Ca 0.72 -0.19 -0.07 0.00 0.47 0.00 0.00 55.06 55.99 2k46 s HIS 186 Cb -0.41 -0.60 -0.02 0.00 -0.13 0.00 0.00 32.58 31.42 2k46 s HIS 186 CO 0.32 -0.13 1.41 -1.00 -2.47 0.00 0.00 174.74 172.86 2k46 h PRO 187 N 6.74 0.65 0.00 2.88 0.13 -2.05 -3.46 132.00 136.89 2k46 h PRO 187 Ca -0.35 -0.48 -0.09 0.00 -0.87 0.00 0.00 66.00 64.21 2k46 h PRO 187 Cb 1.16 0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.40 2k46 h PRO 187 CO 0.48 1.10 0.03 0.41 -0.23 0.00 0.00 178.00 179.79 2k46 n GLY 188 N 0.49 0.60 3.31 1.56 0.00 -1.26 -5.09 105.19 104.81 2k46 n GLY 188 Ca -0.05 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.00 2.90 0.00 0.99 1.43 -1.26 -5.20 118.68 117.54 2k46 s LEU 189 Ca 0.14 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2k46 s LEU 189 Cb -0.01 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2k46 s LEU 189 CO 0.09 -0.02 0.46 -0.62 0.23 0.00 0.00 176.35 176.49