#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 1.46 -2.80 4.61 0.00 -1.26 -5.12 120.51 117.40 2k46 n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k46 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k46 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k46 n MET 3 N -3.33 -3.02 -3.78 0.00 0.00 -1.26 -5.04 117.12 100.70 2k46 n MET 3 Ca 0.00 2.49 -0.24 0.00 0.00 0.00 0.00 57.70 59.95 2k46 n MET 3 Cb 0.00 -4.95 -0.17 0.00 0.00 0.00 0.00 33.22 28.10 2k46 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k46 s SER 4 N -1.71 1.75 -0.95 7.83 0.01 -1.26 -5.05 113.70 114.33 2k46 s SER 4 Ca 0.04 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.12 2k46 s SER 4 Cb -0.01 -0.49 0.33 0.00 0.21 0.00 0.00 66.02 66.05 2k46 s SER 4 CO 0.71 -0.19 1.94 0.61 0.41 0.00 0.00 173.24 176.72 2k46 n GLY 5 N 5.12 5.83 0.20 3.44 0.00 -1.26 -4.69 105.19 113.81 2k46 n GLY 5 Ca -0.08 -2.52 -0.11 0.00 0.00 0.00 0.00 46.02 43.32 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 3.68 0.61 -2.66 0.99 5.85 -1.93 -2.51 115.31 119.34 2k46 h LEU 6 Ca 0.55 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2k46 h LEU 6 Cb 0.19 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k46 h LEU 6 CO 1.30 0.78 0.09 0.00 -0.34 0.00 0.00 178.44 180.27 2k46 h ALA 7 N 0.85 1.21 0.00 1.25 0.00 -1.78 -0.75 119.26 120.03 2k46 h ALA 7 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k46 h ALA 7 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k46 h ALA 7 CO 0.02 -0.10 0.00 0.22 0.00 0.00 0.00 179.25 179.39 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.81 -3.22 116.42 114.98 2k46 h ASP 8 Ca 0.01 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2k46 h ASP 8 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2k46 h ASP 8 CO -0.00 0.00 -1.65 0.29 -2.88 0.00 0.00 179.24 175.00 2k46 n LYS 9 N -2.50 1.52 -1.38 0.28 5.02 -0.31 -5.03 118.16 115.76 2k46 n LYS 9 Ca 0.02 -0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 2k46 n LYS 9 Cb 0.30 -1.27 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.20 1.31 -0.00 -0.18 3.14 -1.04 -3.00 118.33 116.35 2k46 n VAL 10 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 2k46 n VAL 10 Cb 0.64 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 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 -0.76 0.00 -3.64 1.55 -5.35 -1.16 -4.85 119.36 105.14 2k46 n ILE 11 Ca 0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.56 2k46 n ILE 11 Cb 0.37 0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.00 -0.31 -0.22 4.28 -0.00 -1.11 -5.06 118.94 116.52 2k46 s TRP 12 Ca 0.00 0.70 -0.26 0.00 -0.00 0.00 0.00 56.10 56.54 2k46 s TRP 12 Cb 0.00 0.35 0.08 0.00 -0.00 0.00 0.00 33.47 33.90 2k46 s TRP 12 CO 0.00 -0.15 0.74 0.00 -0.00 0.00 0.00 176.95 177.54 2k46 s ALA 13 N 0.50 -1.80 -0.11 5.86 0.00 -1.26 -0.61 121.76 124.34 2k46 s ALA 13 Ca 0.01 1.86 -0.08 0.00 0.00 0.00 0.00 51.96 53.75 2k46 s ALA 13 Cb -0.04 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2k46 s ALA 13 CO -0.11 -0.34 0.28 0.08 0.00 0.00 0.00 175.76 175.67 2k46 s VAL 14 N -0.00 -0.02 -0.49 0.00 1.01 0.05 -3.00 120.40 117.95 2k46 s VAL 14 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2k46 s VAL 14 Cb -0.04 -0.41 0.13 0.00 0.00 0.00 0.00 36.38 36.06 2k46 s VAL 14 CO 0.02 0.03 0.26 0.21 0.00 0.00 0.00 175.10 175.63 2k46 s ASN 15 N 0.78 4.96 -0.42 3.32 3.84 -1.26 0.50 114.94 126.65 2k46 s ASN 15 Ca -0.05 -2.54 -0.27 0.00 0.21 0.00 0.00 52.86 50.21 2k46 s ASN 15 Cb -0.06 -1.76 -0.03 0.00 -0.55 0.00 0.00 41.25 38.85 2k46 s ASN 15 CO -0.05 -0.39 1.97 0.00 -2.79 0.00 0.00 177.10 175.84 2k46 s ALA 16 N 0.39 2.45 0.00 1.71 0.00 0.41 -3.00 121.76 123.73 2k46 s ALA 16 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2k46 s ALA 16 Cb -0.22 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2k46 s ALA 16 CO -0.04 -3.31 0.00 0.41 0.00 0.00 0.00 175.76 172.82 2k46 n GLY 17 N 5.64 2.57 0.00 0.00 0.00 -1.25 -3.01 105.19 109.13 2k46 n GLY 17 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.48 3.60 -0.02 0.00 -1.16 -3.72 105.19 106.37 2k46 n GLY 18 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 4.52 0.55 0.00 1.61 2.12 -1.26 -4.61 118.70 121.63 2k46 s GLU 19 Ca 0.00 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.70 2k46 s GLU 19 Cb 0.00 0.82 0.00 0.00 0.26 0.00 0.00 34.13 35.21 2k46 s GLU 19 CO 0.00 -0.21 0.00 0.43 -0.54 0.00 0.00 175.26 174.94 2k46 n SER 20 N 5.41 -5.23 -4.50 -1.70 7.64 -1.24 -4.87 113.62 109.13 2k46 n SER 20 Ca -0.11 0.48 -0.28 0.00 1.01 0.00 0.00 58.87 59.97 2k46 n SER 20 Cb 0.49 -1.15 -0.11 0.00 -1.01 0.00 0.00 64.21 62.43 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N -0.41 2.51 -0.30 1.43 2.46 -0.95 -4.91 115.29 115.13 2k46 s HIS 21 Ca 0.00 -0.27 0.02 0.00 0.47 0.00 0.00 55.06 55.27 2k46 s HIS 21 Cb 0.00 -1.29 0.09 0.00 -0.13 0.00 0.00 32.58 31.25 2k46 s HIS 21 CO 0.00 0.44 0.03 0.08 -2.47 0.00 0.00 174.74 172.82 2k46 s VAL 22 N -1.38 1.63 0.52 0.89 1.01 -1.26 -0.43 120.40 121.38 2k46 s VAL 22 Ca 0.20 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2k46 s VAL 22 Cb -0.10 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2k46 s VAL 22 CO 0.11 -0.46 1.09 -0.62 0.00 0.00 0.00 175.10 175.22 2k46 s ASP 23 N 1.27 6.00 0.26 3.32 2.15 0.56 -4.86 116.67 125.38 2k46 s ASP 23 Ca 0.05 2.06 -0.06 0.00 0.43 0.00 0.00 52.55 55.04 2k46 s ASP 23 Cb -0.18 -2.57 0.50 0.00 -0.30 0.00 0.00 42.92 40.37 2k46 s ASP 23 CO -0.13 -1.02 1.60 -0.37 -0.17 0.00 0.00 175.17 175.09 2k46 h VAL 24 N 1.35 0.19 -0.02 1.11 -1.51 -1.96 1.05 116.25 116.47 2k46 h VAL 24 Ca -0.50 -0.02 0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2k46 h VAL 24 Cb 1.24 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2k46 h VAL 24 CO 0.58 0.01 0.04 0.45 -1.23 0.00 0.00 177.57 177.42 2k46 h HIS 25 N 0.05 0.00 0.00 5.19 3.86 -1.98 -3.45 115.15 118.83 2k46 h HIS 25 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2k46 h HIS 25 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2k46 h HIS 25 CO -0.52 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.68 2k46 n GLY 26 N -1.24 1.56 3.59 2.45 0.00 0.36 -4.14 105.19 107.77 2k46 n GLY 26 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 4.84 -0.14 -0.61 -1.09 -1.12 -4.47 121.20 116.62 2k46 s ILE 27 Ca 0.00 -0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2k46 s ILE 27 Cb 0.00 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2k46 s ILE 27 CO 0.00 0.38 -0.06 -2.28 -1.23 0.00 0.00 174.94 171.75 2k46 s HIS 28 N 0.98 2.96 -0.13 3.97 5.65 -1.26 -0.32 115.29 127.14 2k46 s HIS 28 Ca 0.05 -0.33 -0.12 0.00 0.25 0.00 0.00 55.06 54.91 2k46 s HIS 28 Cb -0.14 -1.89 -0.05 0.00 -1.18 0.00 0.00 32.58 29.32 2k46 s HIS 28 CO 0.03 -0.02 0.25 -0.47 -0.65 0.00 0.00 174.74 173.88 2k46 s TYR 29 N 0.19 3.54 -0.50 3.88 5.04 0.42 -4.39 117.35 125.53 2k46 s TYR 29 Ca -0.04 0.61 -0.18 0.00 -2.44 0.00 0.00 57.07 55.02 2k46 s TYR 29 Cb -0.14 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 40.03 2k46 s TYR 29 CO 0.03 0.45 0.58 -0.98 -1.34 0.00 0.00 175.55 174.30 2k46 s ARG 30 N -0.21 3.10 0.00 4.97 1.70 -1.16 -2.24 118.95 125.10 2k46 s ARG 30 Ca 0.16 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.45 2k46 s ARG 30 Cb -0.13 -4.10 0.00 0.00 -0.57 0.00 0.00 34.95 30.14 2k46 s ARG 30 CO 0.05 -1.19 0.00 1.17 -1.08 0.00 0.00 175.30 174.25 2k46 n LYS 31 N 6.00 0.00 0.00 3.89 4.81 -1.26 -3.77 118.16 127.83 2k46 n LYS 31 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2k46 n LYS 31 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.00 0.00 -0.22 3.14 9.92 -1.26 -4.81 116.55 123.32 2k46 n ASP 32 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 2k46 n ASP 32 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k46 n PRO 33 N 0.00 1.23 -0.01 -0.24 -0.04 -1.25 -2.73 135.00 131.96 2k46 n PRO 33 Ca 0.00 -0.45 -0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2k46 n PRO 33 Cb 0.00 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.75 0.00 -3.61 1.53 -0.00 -1.26 -4.15 117.00 108.76 2k46 n LEU 34 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.66 2k46 n LEU 34 Cb 0.34 0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.79 2k46 n LEU 34 CO 0.31 0.04 2.62 -1.84 -0.00 0.00 0.00 177.39 178.51 2k46 n GLU 35 N -1.88 3.64 -0.87 1.47 0.00 -1.26 -4.25 120.64 117.48 2k46 n GLU 35 Ca -0.03 -2.92 0.00 0.00 0.00 0.00 0.00 57.16 54.21 2k46 n GLU 35 Cb 0.37 -2.93 0.00 0.00 0.00 0.00 0.00 31.44 28.87 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k46 n GLY 36 N 3.12 0.93 3.74 -1.84 0.00 -1.26 -4.29 105.19 105.59 2k46 n GLY 36 Ca 0.58 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.02 -1.55 -4.17 1.61 0.00 -1.26 -4.99 116.66 104.29 2k46 n ARG 37 Ca 0.00 0.83 -0.16 0.00 -0.00 0.00 0.00 57.85 58.52 2k46 n ARG 37 Cb 0.00 -2.47 -0.06 0.00 -0.00 0.00 0.00 32.46 29.93 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k46 s VAL 38 N -2.93 0.00 0.00 8.89 -7.23 -1.11 -4.95 120.40 113.07 2k46 s VAL 38 Ca 0.02 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2k46 s VAL 38 Cb -0.00 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2k46 s VAL 38 CO 0.89 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.29 2k46 n GLY 39 N -0.56 -2.59 0.95 2.32 0.00 -1.26 -4.51 105.19 99.54 2k46 n GLY 39 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2k46 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 40 N 0.00 -2.56 0.00 1.61 1.74 -1.26 -4.90 116.66 111.29 2k46 n ARG 40 Ca 0.00 1.96 0.00 0.00 -0.77 0.00 0.00 57.85 59.04 2k46 n ARG 40 Cb 0.00 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k46 n ALA 41 N -1.75 0.40 -3.55 7.54 0.00 -1.26 -4.78 120.51 117.11 2k46 n ALA 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2k46 n ALA 41 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 2k46 n ALA 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k46 n SER 42 N -0.29 -5.85 -2.10 0.00 7.64 -1.26 -4.12 113.62 107.64 2k46 n SER 42 Ca 0.00 -0.73 -0.19 0.00 1.01 0.00 0.00 58.87 58.96 2k46 n SER 42 Cb 0.01 -3.26 -0.03 0.00 -1.01 0.00 0.00 64.21 59.92 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N -2.38 6.24 0.43 6.43 5.75 -1.26 -4.35 116.55 127.40 2k46 n ASP 43 Ca -0.15 -3.00 -0.19 0.00 -0.01 0.00 0.00 54.79 51.44 2k46 n ASP 43 Cb 0.60 -1.17 -0.09 0.00 -1.03 0.00 0.00 41.12 39.43 2k46 n ASP 43 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2k46 h TYR 44 N 2.18 -1.24 -0.25 2.11 3.20 -1.88 -2.75 116.97 118.34 2k46 h TYR 44 Ca 0.29 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.93 2k46 h TYR 44 Cb 0.92 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 39.55 2k46 h TYR 44 CO 1.12 -0.71 -0.08 0.41 -1.64 0.00 0.00 178.16 177.27 2k46 n GLY 45 N -1.60 3.25 0.24 1.82 0.00 -1.26 -4.50 105.19 103.14 2k46 n GLY 45 Ca -0.14 -1.06 0.16 0.00 0.00 0.00 0.00 46.02 44.98 2k46 n GLY 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2k46 h MET 46 N 2.41 0.00 0.00 1.61 -1.53 -1.85 -3.43 114.93 112.14 2k46 h MET 46 Ca 0.20 0.00 -0.18 0.00 -3.44 0.00 0.00 59.70 56.28 2k46 h MET 46 Cb 1.19 0.00 0.09 0.00 -0.55 0.00 0.00 31.60 32.33 2k46 h MET 46 CO 0.35 0.00 0.07 0.36 0.14 0.00 0.00 176.91 177.83 2k46 n LYS 47 N -2.63 -1.76 -3.04 0.39 2.85 -1.26 -4.60 118.16 108.10 2k46 n LYS 47 Ca -0.02 -0.79 -0.13 0.00 -1.05 0.00 0.00 58.31 56.32 2k46 n LYS 47 Cb 0.06 -0.70 0.06 0.00 -0.65 0.00 0.00 35.03 33.79 2k46 n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2k46 n LEU 48 N 0.00 -5.26 -4.72 -5.58 7.94 -1.26 -4.93 117.00 103.19 2k46 n LEU 48 Ca 0.07 -0.61 -0.42 0.00 -1.11 0.00 0.00 56.01 53.93 2k46 n LEU 48 Cb 0.26 -2.91 -0.03 0.00 0.53 0.00 0.00 43.42 41.27 2k46 n LEU 48 CO 0.18 0.06 1.22 -2.84 -1.11 0.00 0.00 177.39 174.90 2k46 s PRO 49 N -4.20 4.22 0.46 1.96 0.02 -1.26 -4.95 135.00 131.23 2k46 s PRO 49 Ca 0.40 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.53 2k46 s PRO 49 Cb -0.05 -3.15 -0.08 0.00 0.02 0.00 0.00 34.50 31.24 2k46 s PRO 49 CO 0.66 -0.60 1.41 0.42 -0.33 0.00 0.00 177.00 178.56 2k46 s ILE 50 N 1.03 2.12 -0.23 2.83 1.09 -1.26 -4.88 121.20 121.91 2k46 s ILE 50 Ca 0.69 0.11 -0.15 0.00 -1.10 0.00 0.00 60.65 60.20 2k46 s ILE 50 Cb -0.44 -3.06 -0.17 0.00 -1.06 0.00 0.00 42.46 37.73 2k46 s ILE 50 CO 0.32 0.01 -0.01 0.18 -0.10 0.00 0.00 174.94 175.35 2k46 n LEU 51 N -0.24 2.09 -1.28 2.97 7.99 -1.26 -4.42 117.00 122.84 2k46 n LEU 51 Ca 0.05 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2k46 n LEU 51 Cb 0.42 -0.93 0.00 0.00 -0.11 0.00 0.00 43.42 42.80 2k46 n LEU 51 CO 0.58 0.51 0.48 0.54 -1.51 0.00 0.00 177.39 177.99 2k46 n ARG 52 N -4.15 0.67 -3.85 3.23 3.00 -1.26 -4.76 116.66 109.54 2k46 n ARG 52 Ca -0.42 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.33 2k46 n ARG 52 Cb 0.83 -1.16 -0.06 0.00 0.00 0.00 0.00 32.46 32.06 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 1.42 -0.05 0.42 0.55 0.15 -1.26 -4.89 113.70 110.03 2k46 s SER 53 Ca 0.00 -0.66 -0.22 0.00 0.70 0.00 0.00 55.95 55.76 2k46 s SER 53 Cb 0.00 0.45 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 2k46 s SER 53 CO 0.00 -0.89 0.98 0.21 1.20 0.00 0.00 173.24 174.74 2k46 s ASN 54 N -2.90 6.86 0.18 5.45 2.47 -1.26 -4.77 114.94 120.97 2k46 s ASN 54 Ca 0.11 1.82 -0.26 0.00 0.42 0.00 0.00 52.86 54.94 2k46 s ASN 54 Cb 0.02 -2.56 0.03 0.00 -1.45 0.00 0.00 41.25 37.30 2k46 s ASN 54 CO -0.05 -0.41 1.55 -0.65 -3.72 0.00 0.00 177.10 173.82 2k46 h PRO 55 N 2.15 -0.04 0.59 0.43 0.11 -1.97 1.77 132.00 135.04 2k46 h PRO 55 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2k46 h PRO 55 Cb 1.20 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k46 h PRO 55 CO 0.61 -0.03 -0.34 0.93 -0.21 0.00 0.00 178.00 178.96 2k46 h GLU 56 N -0.04 -0.85 0.00 1.05 4.39 -1.96 -1.31 114.58 115.85 2k46 h GLU 56 Ca 0.21 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2k46 h GLU 56 Cb 0.49 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2k46 h GLU 56 CO -0.91 -0.57 0.00 -3.47 -1.16 0.00 0.00 179.01 172.90 2k46 n ASP 57 N -5.49 0.05 -0.09 1.42 2.03 -0.86 -1.19 116.55 112.42 2k46 n ASP 57 Ca -0.13 0.51 -0.10 0.00 0.52 0.00 0.00 54.79 55.60 2k46 n ASP 57 Cb 0.38 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.43 -0.26 -0.67 4.15 0.39 0.24 115.11 119.40 2k46 h GLN 58 Ca 0.00 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.40 2k46 h GLN 58 Cb 0.24 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2k46 h GLN 58 CO 0.00 0.45 -0.09 0.28 -1.93 0.00 0.00 178.83 177.54 2k46 h VAL 59 N 0.32 0.68 0.00 2.39 2.07 -0.93 0.84 116.25 121.63 2k46 h VAL 59 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k46 h VAL 59 Cb 0.18 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k46 h VAL 59 CO -0.01 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.47 2k46 n LEU 60 N -5.26 0.00 -0.10 2.57 7.94 -0.92 -2.12 117.00 119.12 2k46 n LEU 60 Ca -0.01 0.48 0.07 0.00 -1.11 0.00 0.00 56.01 55.45 2k46 n LEU 60 Cb 0.18 -0.48 0.10 0.00 0.53 0.00 0.00 43.42 43.74 2k46 n LEU 60 CO 0.20 -0.27 0.52 -1.22 -1.11 0.00 0.00 177.39 175.51 2k46 n TYR 61 N -1.48 0.00 0.00 1.96 4.02 0.81 -4.51 117.16 117.96 2k46 n TYR 61 Ca 0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 57.90 57.13 2k46 n TYR 61 Cb 0.15 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.10 0.00 -0.50 -0.72 7.27 0.26 -4.77 117.38 117.82 2k46 n GLN 62 Ca 0.11 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.01 2k46 n GLN 62 Cb 0.57 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.21 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 -2.21 0.71 -4.17 1.69 -2.24 -0.99 -4.79 114.28 102.29 2k46 n THR 63 Ca 0.00 -0.18 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2k46 n THR 63 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.36 0.82 -0.01 -0.78 -1.05 -1.24 -3.95 118.70 112.12 2k46 s GLU 64 Ca 0.23 -0.95 0.01 0.00 -0.15 0.00 0.00 54.97 54.11 2k46 s GLU 64 Cb -0.33 -0.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 2k46 s GLU 64 CO 0.20 0.18 -0.04 -0.98 0.95 0.00 0.00 175.26 175.58 2k46 s ARG 65 N -1.73 0.35 0.31 -4.83 1.70 -1.25 -4.30 118.95 109.19 2k46 s ARG 65 Ca -0.02 -0.12 -0.27 0.00 -0.47 0.00 0.00 55.73 54.84 2k46 s ARG 65 Cb -0.10 -0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 33.83 2k46 s ARG 65 CO 0.02 0.06 0.99 -0.47 -1.08 0.00 0.00 175.30 174.82 2k46 s TYR 66 N 0.05 3.66 0.00 5.89 6.14 -1.26 -4.80 117.35 127.03 2k46 s TYR 66 Ca -0.00 1.78 0.00 0.00 0.64 0.00 0.00 57.07 59.49 2k46 s TYR 66 Cb -0.03 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.31 2k46 s TYR 66 CO -0.00 -0.01 0.00 -1.71 0.64 0.00 0.00 175.55 174.46 2k46 n ASN 67 N 0.77 0.00 0.00 4.32 5.15 -1.26 -5.06 115.26 119.18 2k46 n ASN 67 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2k46 n ASN 67 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2k46 n ASN 67 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k46 n GLU 68 N -0.01 0.00 -3.60 1.20 2.13 -1.26 -5.10 120.64 114.00 2k46 n GLU 68 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 2k46 n GLU 68 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2k46 n GLU 68 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k46 s ASP 69 N 2.00 -0.47 -0.39 4.31 1.01 -1.26 -4.64 116.67 117.22 2k46 s ASP 69 Ca 0.00 0.39 -0.26 0.00 0.71 0.00 0.00 52.55 53.40 2k46 s ASP 69 Cb 0.00 0.47 0.04 0.00 1.01 0.00 0.00 42.92 44.43 2k46 s ASP 69 CO 0.00 -0.60 0.54 -0.24 0.21 0.00 0.00 175.17 175.08 2k46 n SER 70 N 0.85 -6.58 -4.07 0.27 2.88 -1.26 -5.01 113.62 100.70 2k46 n SER 70 Ca -0.19 0.22 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 2k46 n SER 70 Cb 0.58 -3.13 -0.11 0.00 -0.75 0.00 0.00 64.21 60.80 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 -1.82 0.64 0.00 0.66 -0.12 -1.12 -4.99 117.98 111.24 2k46 s PHE 71 Ca 0.28 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 2k46 s PHE 71 Cb -0.04 -0.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 2k46 s PHE 71 CO 0.76 -0.13 0.00 0.41 -0.05 0.00 0.00 175.22 176.21 2k46 n GLY 72 N 1.12 2.82 3.12 1.99 0.00 -1.26 -2.59 105.19 110.39 2k46 n GLY 72 Ca -0.20 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 0.79 -0.30 1.61 2.02 -0.95 -4.88 117.35 113.67 2k46 s TYR 73 Ca 0.00 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 56.02 2k46 s TYR 73 Cb 0.00 -0.46 0.07 0.00 -0.40 0.00 0.00 41.96 41.17 2k46 s TYR 73 CO 0.00 -0.11 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.34 2k46 s ASP 74 N -2.29 4.68 -0.36 2.29 1.11 -1.26 -2.43 116.67 118.41 2k46 s ASP 74 Ca 0.01 -1.63 -0.10 0.00 0.18 0.00 0.00 52.55 51.00 2k46 s ASP 74 Cb -0.03 -1.62 0.03 0.00 1.07 0.00 0.00 42.92 42.37 2k46 s ASP 74 CO -0.02 -0.28 0.18 -0.63 1.18 0.00 0.00 175.17 175.60 2k46 s ILE 75 N 1.08 4.43 0.09 0.77 1.09 -0.46 -4.95 121.20 123.25 2k46 s ILE 75 Ca -0.01 -0.87 -0.30 0.00 -1.10 0.00 0.00 60.65 58.37 2k46 s ILE 75 Cb -0.20 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 2k46 s ILE 75 CO -0.05 -0.20 0.96 -2.16 -0.10 0.00 0.00 174.94 173.40 2k46 s PRO 76 N 1.53 4.67 0.11 2.79 0.04 -1.26 -0.31 135.00 142.57 2k46 s PRO 76 Ca 0.02 1.45 0.10 0.00 0.04 0.00 0.00 61.00 62.60 2k46 s PRO 76 Cb -0.19 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k46 s PRO 76 CO 0.06 0.17 -0.26 0.42 0.04 0.00 0.00 177.00 177.43 2k46 s ILE 77 N 0.18 2.15 0.00 0.56 1.01 -1.26 -4.95 121.20 118.89 2k46 s ILE 77 Ca 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.48 2k46 s ILE 77 Cb -0.23 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2k46 s ILE 77 CO 0.30 0.13 0.00 0.29 0.00 0.00 0.00 174.94 175.65 2k46 n LYS 78 N 1.12 0.02 -4.65 2.79 4.76 -1.26 -4.91 118.16 116.04 2k46 n LYS 78 Ca -0.18 -0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.97 2k46 n LYS 78 Cb 0.53 -0.33 -0.09 0.00 -1.84 0.00 0.00 35.03 33.29 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k46 s GLU 79 N -0.00 2.01 0.45 1.97 0.41 -1.26 -5.15 118.70 117.13 2k46 s GLU 79 Ca 0.00 -2.21 0.03 0.00 -0.41 0.00 0.00 54.97 52.38 2k46 s GLU 79 Cb 0.00 -1.42 -0.02 0.00 -1.78 0.00 0.00 34.13 30.90 2k46 s GLU 79 CO 0.00 -0.22 0.06 -1.21 -0.49 0.00 0.00 175.26 173.40 2k46 s GLU 80 N -3.79 2.04 0.00 1.61 8.01 -1.26 -5.02 118.70 120.29 2k46 s GLU 80 Ca 0.23 -2.26 0.00 0.00 0.01 0.00 0.00 54.97 52.95 2k46 s GLU 80 Cb 0.06 -1.10 0.00 0.00 -4.31 0.00 0.00 34.13 28.78 2k46 s GLU 80 CO 0.12 -0.39 0.00 0.41 0.01 0.00 0.00 175.26 175.41 2k46 n GLY 81 N -1.06 0.75 3.50 -1.39 0.00 -0.39 -4.80 105.19 101.80 2k46 n GLY 81 Ca -0.12 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.02 3.22 -0.20 1.61 8.01 -1.12 -1.49 118.70 127.70 2k46 s GLU 82 Ca 0.00 -0.58 -0.15 0.00 0.01 0.00 0.00 54.97 54.25 2k46 s GLU 82 Cb 0.00 -3.94 -0.04 0.00 -4.31 0.00 0.00 34.13 25.84 2k46 s GLU 82 CO 0.00 -0.87 0.36 0.71 0.01 0.00 0.00 175.26 175.47 2k46 s TYR 83 N 2.36 3.38 -0.25 1.61 1.51 -0.46 0.15 117.35 125.64 2k46 s TYR 83 Ca 0.16 0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 56.75 2k46 s TYR 83 Cb -0.16 -2.47 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 2k46 s TYR 83 CO 0.15 0.03 -0.03 0.08 -1.11 0.00 0.00 175.55 174.66 2k46 s VAL 84 N 1.18 3.20 -0.54 0.71 1.01 -0.88 -0.12 120.40 124.97 2k46 s VAL 84 Ca 0.17 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2k46 s VAL 84 Cb -0.14 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.73 2k46 s VAL 84 CO 0.07 0.26 0.74 -0.76 0.00 0.00 0.00 175.10 175.41 2k46 s LEU 85 N 1.41 4.75 -0.27 3.92 1.43 -1.10 -2.63 118.68 126.20 2k46 s LEU 85 Ca 0.03 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 2k46 s LEU 85 Cb -0.16 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2k46 s LEU 85 CO -0.03 -1.04 0.13 -0.69 0.23 0.00 0.00 176.35 174.95 2k46 s VAL 86 N 3.07 4.79 -0.03 -1.59 1.01 -0.02 -2.12 120.40 125.50 2k46 s VAL 86 Ca 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2k46 s VAL 86 Cb -0.18 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2k46 s VAL 86 CO 0.13 0.26 -0.06 -1.48 0.00 0.00 0.00 175.10 173.95 2k46 s LEU 87 N 1.68 1.65 -0.25 3.92 2.34 -1.11 -0.34 118.68 126.56 2k46 s LEU 87 Ca 0.06 -0.14 -0.08 0.00 0.06 0.00 0.00 54.13 54.03 2k46 s LEU 87 Cb -0.16 -0.45 -0.03 0.00 -0.56 0.00 0.00 46.19 44.99 2k46 s LEU 87 CO 0.07 0.02 0.10 -0.75 -1.06 0.00 0.00 176.35 174.73 2k46 s LYS 88 N 0.41 3.75 -0.10 1.48 2.47 -1.19 -2.31 119.74 124.25 2k46 s LYS 88 Ca -0.06 -0.43 -0.04 0.00 -1.56 0.00 0.00 55.97 53.89 2k46 s LYS 88 Cb -0.10 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 2k46 s LYS 88 CO 0.00 -0.15 0.04 -0.06 0.16 0.00 0.00 175.35 175.34 2k46 s PHE 89 N 1.56 3.29 0.25 4.03 0.08 -0.91 -1.05 117.98 125.23 2k46 s PHE 89 Ca 0.06 0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 2k46 s PHE 89 Cb -0.15 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2k46 s PHE 89 CO 0.05 0.52 0.37 0.00 -0.10 0.00 0.00 175.22 176.06 2k46 s ALA 90 N -0.83 0.40 0.00 5.36 0.00 -1.13 -2.04 121.76 123.51 2k46 s ALA 90 Ca 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2k46 s ALA 90 Cb -0.12 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2k46 s ALA 90 CO 0.03 -0.76 0.00 -1.91 0.00 0.00 0.00 175.76 173.11 2k46 n GLU 91 N -0.39 0.00 -3.38 0.00 4.07 -1.26 -2.42 120.64 117.26 2k46 n GLU 91 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 2k46 n GLU 91 Cb 0.63 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.93 2k46 n GLU 91 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k46 s VAL 92 N -1.75 -0.26 0.09 6.31 -7.23 -1.26 -4.85 120.40 111.46 2k46 s VAL 92 Ca 0.00 -1.10 -0.33 0.00 -1.81 0.00 0.00 61.98 58.74 2k46 s VAL 92 Cb 0.00 -0.75 -0.14 0.00 0.56 0.00 0.00 36.38 36.05 2k46 s VAL 92 CO 0.00 -0.65 1.51 1.88 -0.31 0.00 0.00 175.10 177.53 2k46 h TYR 93 N 7.07 -1.39 -2.95 2.82 -1.99 -2.00 -3.42 116.97 115.11 2k46 h TYR 93 Ca 0.05 0.03 -0.66 0.00 2.00 0.00 0.00 58.73 60.14 2k46 h TYR 93 Cb 1.04 0.57 -0.09 0.00 2.00 0.00 0.00 36.73 40.25 2k46 h TYR 93 CO 0.34 -0.58 -0.54 -0.06 -0.00 0.00 0.00 178.16 177.32 2k46 s PHE 94 N -5.58 3.40 -1.20 4.88 0.08 -1.26 -5.04 117.98 113.26 2k46 s PHE 94 Ca -0.16 0.33 -0.16 0.00 0.12 0.00 0.00 56.93 57.07 2k46 s PHE 94 Cb 0.05 -1.82 0.14 0.00 -0.57 0.00 0.00 43.02 40.81 2k46 s PHE 94 CO 0.56 0.61 1.48 0.00 -0.10 0.00 0.00 175.22 177.77 2k46 s ALA 95 N -1.11 3.74 0.13 5.36 0.00 -1.26 -4.92 121.76 123.70 2k46 s ALA 95 Ca 0.19 -3.17 -0.19 0.00 0.00 0.00 0.00 51.96 48.79 2k46 s ALA 95 Cb -0.12 -4.26 0.05 0.00 0.00 0.00 0.00 23.12 18.79 2k46 s ALA 95 CO 0.09 -2.95 0.48 -0.65 0.00 0.00 0.00 175.76 172.74 2k46 s GLN 96 N 2.43 1.13 0.00 0.00 -0.21 -1.26 -5.12 119.66 116.63 2k46 s GLN 96 Ca 0.45 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.26 2k46 s GLN 96 Cb -0.01 0.51 0.00 0.00 1.00 0.00 0.00 33.01 34.51 2k46 s GLN 96 CO 0.01 -0.46 0.00 -1.13 -2.12 0.00 0.00 175.29 171.59 2k46 n SER 97 N -0.19 0.00 -3.46 5.90 3.41 -1.26 -4.59 113.62 113.44 2k46 n SER 97 Ca -0.17 0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.09 2k46 n SER 97 Cb 0.64 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2k46 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k46 n GLN 98 N -1.74 3.04 0.00 4.33 1.13 -1.26 -3.47 117.38 119.41 2k46 n GLN 98 Ca 0.00 -2.21 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 2k46 n GLN 98 Cb 0.00 -2.93 0.00 0.00 0.11 0.00 0.00 30.24 27.42 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k46 n GLN 99 N 4.77 0.00 -3.44 -1.09 7.27 -1.26 -4.97 117.38 118.65 2k46 n GLN 99 Ca 0.63 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 57.30 2k46 n GLN 99 Cb 0.28 -0.05 -0.03 0.00 2.41 0.00 0.00 30.24 32.85 2k46 n GLN 99 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2k46 n LYS 100 N -2.35 3.20 -3.77 3.69 2.85 -1.23 -4.79 118.16 115.77 2k46 n LYS 100 Ca 0.00 -4.49 -0.37 0.00 -1.05 0.00 0.00 58.31 52.40 2k46 n LYS 100 Cb 0.00 -2.47 -0.13 0.00 -0.65 0.00 0.00 35.03 31.78 2k46 n LYS 100 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2k46 s VAL 101 N -1.54 3.86 0.52 0.58 -7.23 -1.26 -3.91 120.40 111.43 2k46 s VAL 101 Ca 0.30 -0.83 0.08 0.00 -1.81 0.00 0.00 61.98 59.72 2k46 s VAL 101 Cb -0.06 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 33.88 2k46 s VAL 101 CO -0.08 0.01 0.63 -0.36 -0.31 0.00 0.00 175.10 175.00 2k46 s PHE 102 N 1.46 1.88 -0.02 2.82 0.08 -1.08 -4.10 117.98 119.03 2k46 s PHE 102 Ca 0.01 -0.65 0.07 0.00 0.12 0.00 0.00 56.93 56.48 2k46 s PHE 102 Cb -0.18 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2k46 s PHE 102 CO 0.02 -0.77 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.63 2k46 s ASP 103 N -4.47 2.73 -0.07 1.36 1.11 -1.10 -0.29 116.67 115.94 2k46 s ASP 103 Ca 0.54 -0.42 -0.00 0.00 0.18 0.00 0.00 52.55 52.84 2k46 s ASP 103 Cb -0.06 -0.30 0.02 0.00 1.07 0.00 0.00 42.92 43.65 2k46 s ASP 103 CO 0.33 0.28 -0.03 -0.69 1.18 0.00 0.00 175.17 176.25 2k46 s VAL 104 N -0.55 0.54 0.13 -1.27 1.01 -0.55 -2.13 120.40 117.57 2k46 s VAL 104 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.13 2k46 s VAL 104 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2k46 s VAL 104 CO -0.01 0.26 -0.21 -0.13 0.00 0.00 0.00 175.10 175.02 2k46 s ARG 105 N 1.52 1.65 -0.23 2.72 0.52 0.30 -2.00 118.95 123.42 2k46 s ARG 105 Ca -0.01 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2k46 s ARG 105 Cb -0.13 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.37 2k46 s ARG 105 CO -0.04 0.46 -0.05 0.08 0.02 0.00 0.00 175.30 175.78 2k46 s VAL 106 N -1.18 1.47 -1.68 3.52 1.01 0.87 -2.08 120.40 122.34 2k46 s VAL 106 Ca 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2k46 s VAL 106 Cb -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2k46 s VAL 106 CO 0.09 -0.12 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 2k46 n ASN 107 N 4.69 -5.01 0.00 3.32 4.05 0.14 -0.35 115.26 122.09 2k46 n ASN 107 Ca -0.12 0.21 0.00 0.00 0.45 0.00 0.00 54.58 55.13 2k46 n ASN 107 Cb 0.44 -4.31 0.00 0.00 1.23 0.00 0.00 39.78 37.14 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 -0.70 0.85 3.23 8.20 0.00 -1.23 -4.79 105.19 110.75 2k46 n GLY 108 Ca -0.20 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.28 1.61 3.76 0.52 -5.03 115.29 117.09 2k46 s HIS 109 Ca 0.00 -1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 53.05 2k46 s HIS 109 Cb 0.00 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 2k46 s HIS 109 CO 0.00 -0.74 1.70 0.95 -0.85 0.00 0.00 174.74 175.80 2k46 s THR 110 N 1.34 3.58 -0.11 1.30 -4.23 -1.26 -0.09 115.64 116.18 2k46 s THR 110 Ca -0.03 0.62 0.11 0.00 -1.18 0.00 0.00 61.69 61.22 2k46 s THR 110 Cb -0.19 -3.69 -0.16 0.00 1.34 0.00 0.00 72.50 69.80 2k46 s THR 110 CO 0.00 -0.37 0.07 0.52 -0.54 0.00 0.00 174.62 174.30 2k46 n VAL 111 N 6.96 0.73 -3.58 2.29 0.31 -0.85 -4.83 118.33 119.36 2k46 n VAL 111 Ca 0.21 -0.49 -0.29 0.00 -0.01 0.00 0.00 64.34 63.75 2k46 n VAL 111 Cb 0.46 -0.56 -0.13 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.38 0.74 -0.78 2.52 1.01 -1.17 -5.05 120.40 115.29 2k46 s VAL 112 Ca -0.06 -2.09 -0.03 0.00 0.00 0.00 0.00 61.98 59.81 2k46 s VAL 112 Cb 0.04 -1.53 0.20 0.00 0.00 0.00 0.00 36.38 35.09 2k46 s VAL 112 CO 0.51 -0.94 0.64 -1.59 0.00 0.00 0.00 175.10 173.72 2k46 s LYS 113 N 0.76 3.01 0.00 2.72 -2.85 -1.26 -1.49 119.74 120.63 2k46 s LYS 113 Ca 0.18 -2.93 0.00 0.00 -1.00 0.00 0.00 55.97 52.22 2k46 s LYS 113 Cb -0.24 -3.89 0.00 0.00 -2.06 0.00 0.00 37.83 31.64 2k46 s LYS 113 CO 0.00 -1.23 0.00 -0.40 0.10 0.00 0.00 175.35 173.82 2k46 n ASP 114 N 2.90 0.00 -4.56 0.03 5.75 0.60 -4.96 116.55 116.31 2k46 n ASP 114 Ca 0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.76 2k46 n ASP 114 Cb 0.38 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2k46 s LEU 115 N 0.00 2.94 -0.97 -2.12 0.20 -0.34 -4.58 118.68 113.81 2k46 s LEU 115 Ca 0.00 -0.12 -0.10 0.00 0.69 0.00 0.00 54.13 54.60 2k46 s LEU 115 Cb 0.00 -2.55 0.25 0.00 -0.43 0.00 0.00 46.19 43.46 2k46 s LEU 115 CO 0.00 -3.59 0.93 1.51 -0.29 0.00 0.00 176.35 174.91 2k46 s ASP 116 N 10.18 6.90 0.53 3.68 1.47 -1.25 -2.63 116.67 135.54 2k46 s ASP 116 Ca 0.87 -3.29 0.31 0.00 1.18 0.00 0.00 52.55 51.63 2k46 s ASP 116 Cb -0.11 -2.16 1.46 0.00 -0.34 0.00 0.00 42.92 41.77 2k46 s ASP 116 CO 0.06 -0.37 1.87 0.40 0.68 0.00 0.00 175.17 177.80 2k46 h ILE 117 N 4.15 0.53 -0.30 2.11 2.04 -1.89 0.11 117.51 124.26 2k46 h ILE 117 Ca 0.14 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.91 2k46 h ILE 117 Cb 0.92 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2k46 h ILE 117 CO 0.90 0.01 -0.15 0.15 0.00 0.00 0.00 178.15 179.06 2k46 h PHE 118 N 0.04 0.72 0.00 1.37 3.57 -1.84 -2.81 116.94 117.99 2k46 h PHE 118 Ca 0.46 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2k46 h PHE 118 Cb 1.78 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 2k46 h PHE 118 CO -0.00 0.86 -0.36 0.22 -2.23 0.00 0.00 178.31 176.80 2k46 h ASP 119 N 0.38 0.00 0.35 0.41 3.58 -1.06 0.20 116.42 120.28 2k46 h ASP 119 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2k46 h ASP 119 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2k46 h ASP 119 CO 0.04 0.36 -0.17 0.03 -2.88 0.00 0.00 179.24 176.63 2k46 h ARG 120 N 0.00 -0.45 0.05 0.28 2.47 -1.29 -3.40 114.38 112.04 2k46 h ARG 120 Ca -0.00 0.03 -0.38 0.00 -1.26 0.00 0.00 59.98 58.37 2k46 h ARG 120 Cb 0.75 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 29.13 2k46 h ARG 120 CO 0.05 -0.21 -2.26 1.33 0.56 0.00 0.00 179.97 179.43 2k46 n VAL 121 N -5.09 1.61 0.00 2.04 0.24 -1.07 -5.07 118.33 110.98 2k46 n VAL 121 Ca -0.07 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2k46 n VAL 121 Cb 0.23 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.10 1.71 3.18 7.63 0.00 0.69 -4.96 105.19 115.54 2k46 n GLY 122 Ca -0.40 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2k46 n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k46 s HIS 123 N 0.00 3.26 0.00 1.61 2.46 -1.26 -4.70 115.29 116.66 2k46 s HIS 123 Ca 0.00 -1.85 0.00 0.00 0.47 0.00 0.00 55.06 53.68 2k46 s HIS 123 Cb 0.00 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 2k46 s HIS 123 CO 0.00 -0.80 0.00 0.45 -2.47 0.00 0.00 174.74 171.92 2k46 n SER 124 N 4.63 0.00 -0.46 9.88 2.88 -1.26 -4.93 113.62 124.35 2k46 n SER 124 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2k46 n SER 124 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k46 n THR 125 N 0.00 0.00 -4.48 2.46 -2.24 -1.26 -4.79 114.28 103.97 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 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.90 3.14 0.06 6.98 0.00 -1.26 -4.67 121.76 124.10 2k46 s ALA 126 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.16 2k46 s ALA 126 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 2k46 s ALA 126 CO 0.00 0.55 -0.01 -1.58 0.00 0.00 0.00 175.76 174.72 2k46 s HIS 127 N -0.75 2.98 -0.08 0.00 2.46 -0.87 -4.90 115.29 114.14 2k46 s HIS 127 Ca 0.12 -0.01 -0.03 0.00 0.47 0.00 0.00 55.06 55.60 2k46 s HIS 127 Cb -0.11 -1.57 0.04 0.00 -0.13 0.00 0.00 32.58 30.81 2k46 s HIS 127 CO 0.02 0.46 0.16 0.16 -2.47 0.00 0.00 174.74 173.07 2k46 s ASP 128 N -2.05 0.11 -0.21 9.88 -4.77 -1.26 -2.14 116.67 116.23 2k46 s ASP 128 Ca 0.23 0.33 0.02 0.00 -3.30 0.00 0.00 52.55 49.83 2k46 s ASP 128 Cb -0.12 0.24 0.04 0.00 -1.09 0.00 0.00 42.92 41.99 2k46 s ASP 128 CO 0.15 -0.18 -0.15 -1.61 0.70 0.00 0.00 175.17 174.08 2k46 s GLU 129 N 1.51 2.58 -0.20 2.11 2.02 -0.98 -5.03 118.70 120.72 2k46 s GLU 129 Ca -0.06 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 53.85 2k46 s GLU 129 Cb -0.12 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 2k46 s GLU 129 CO -0.06 -0.37 0.04 0.42 0.02 0.00 0.00 175.26 175.31 2k46 s ILE 130 N 1.24 4.45 -0.52 -1.63 1.01 -1.26 -2.77 121.20 121.72 2k46 s ILE 130 Ca -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2k46 s ILE 130 Cb -0.16 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.44 2k46 s ILE 130 CO -0.09 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 174.96 2k46 s ILE 131 N 0.76 1.94 0.36 2.92 -1.09 -0.90 -4.99 121.20 120.19 2k46 s ILE 131 Ca 0.02 -3.18 -0.28 0.00 -2.23 0.00 0.00 60.65 54.99 2k46 s ILE 131 Cb -0.14 -2.33 -0.11 0.00 -1.58 0.00 0.00 42.46 38.31 2k46 s ILE 131 CO 0.02 -0.94 1.43 -2.84 -1.23 0.00 0.00 174.94 171.39 2k46 s PRO 132 N -0.28 4.19 0.10 2.79 0.02 -1.26 -2.69 135.00 137.85 2k46 s PRO 132 Ca 0.21 2.46 0.04 0.00 0.02 0.00 0.00 61.00 63.73 2k46 s PRO 132 Cb -0.17 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2k46 s PRO 132 CO -0.06 -0.43 -0.10 0.42 -0.33 0.00 0.00 177.00 176.50 2k46 s ILE 133 N -1.12 0.95 -0.25 2.83 1.01 0.83 -4.38 121.20 121.07 2k46 s ILE 133 Ca 0.52 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.55 2k46 s ILE 133 Cb -0.44 -1.35 0.07 0.00 0.01 0.00 0.00 42.46 40.75 2k46 s ILE 133 CO 0.60 -0.54 -0.02 -0.94 0.00 0.00 0.00 174.94 174.04 2k46 s SER 134 N -2.41 3.92 -0.20 3.58 1.04 -1.07 -1.36 113.70 117.19 2k46 s SER 134 Ca 0.05 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.14 2k46 s SER 134 Cb -0.03 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 2k46 s SER 134 CO 0.00 -0.27 -0.05 -0.63 0.98 0.00 0.00 173.24 173.27 2k46 s ILE 135 N 1.39 3.47 -0.07 -1.02 1.01 -0.56 -1.92 121.20 123.51 2k46 s ILE 135 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2k46 s ILE 135 Cb -0.19 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.74 2k46 s ILE 135 CO -0.09 0.44 0.25 -0.54 0.00 0.00 0.00 174.94 175.01 2k46 s LYS 136 N 1.18 0.40 0.00 2.79 1.02 -0.91 -1.26 119.74 122.95 2k46 s LYS 136 Ca 0.02 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2k46 s LYS 136 Cb -0.14 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2k46 s LYS 136 CO -0.01 -0.07 0.00 1.63 -0.92 0.00 0.00 175.35 175.98 2k46 n LYS 137 N 2.43 -1.33 -0.27 1.68 5.02 -1.26 -1.35 118.16 123.08 2k46 n LYS 137 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2k46 n LYS 137 Cb 0.57 -4.60 0.00 0.00 -0.02 0.00 0.00 35.03 30.99 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k46 n GLY 138 N -0.11 0.95 3.42 0.72 0.00 -1.26 -5.09 105.19 103.81 2k46 n GLY 138 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -0.63 1.52 -0.11 1.61 1.02 -0.46 -2.84 119.74 119.84 2k46 s LYS 139 Ca 0.00 -1.57 0.01 0.00 0.02 0.00 0.00 55.97 54.42 2k46 s LYS 139 Cb 0.00 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2k46 s LYS 139 CO 0.00 0.35 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.48 2k46 s LEU 140 N -2.91 2.70 -0.25 3.17 0.20 -0.54 -2.15 118.68 118.90 2k46 s LEU 140 Ca 0.22 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2k46 s LEU 140 Cb -0.07 -1.59 0.06 0.00 -0.43 0.00 0.00 46.19 44.16 2k46 s LEU 140 CO 0.11 0.20 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.74 2k46 s SER 141 N 0.14 4.16 -0.42 3.68 0.15 -0.81 -1.12 113.70 119.48 2k46 s SER 141 Ca -0.07 -1.31 -0.13 0.00 0.70 0.00 0.00 55.95 55.14 2k46 s SER 141 Cb -0.15 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.84 2k46 s SER 141 CO 0.05 -0.22 0.29 0.54 1.20 0.00 0.00 173.24 175.10 2k46 s VAL 142 N 1.25 4.89 0.00 4.45 0.11 -0.47 -2.61 120.40 128.01 2k46 s VAL 142 Ca -0.07 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 2k46 s VAL 142 Cb -0.19 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 2k46 s VAL 142 CO -0.06 -0.39 0.00 0.00 -3.33 0.00 0.00 175.10 171.33 2k46 n GLN 143 N 5.09 0.00 -2.07 1.54 3.00 -1.26 -1.32 117.38 122.36 2k46 n GLN 143 Ca -0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.73 2k46 n GLN 143 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.74 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 5.04 3.10 1.08 0.00 -1.26 -5.03 105.19 108.12 2k46 n GLY 144 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.50 0.26 -0.13 1.61 2.12 -0.43 -5.15 118.70 113.47 2k46 s GLU 145 Ca 0.44 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 2k46 s GLU 145 Cb 0.38 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 2k46 s GLU 145 CO 0.00 -0.07 0.03 0.54 -0.54 0.00 0.00 175.26 175.23 2k46 s VAL 146 N 0.45 4.56 -0.30 3.70 0.11 -1.26 -1.37 120.40 126.30 2k46 s VAL 146 Ca -0.03 -0.14 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 2k46 s VAL 146 Cb -0.04 -2.98 0.14 0.00 -1.53 0.00 0.00 36.38 31.96 2k46 s VAL 146 CO -0.02 0.55 0.76 -0.44 -3.33 0.00 0.00 175.10 172.62 2k46 s SER 147 N -0.37 -0.95 0.59 3.54 0.01 -0.27 -5.03 113.70 111.22 2k46 s SER 147 Ca 0.08 1.32 -0.18 0.00 1.31 0.00 0.00 55.95 58.48 2k46 s SER 147 Cb -0.12 2.02 -0.07 0.00 0.21 0.00 0.00 66.02 68.06 2k46 s SER 147 CO 0.02 -0.19 0.66 1.07 0.41 0.00 0.00 173.24 175.21 2k46 n THR 148 N 5.18 2.73 -2.55 1.44 5.66 -1.26 -1.46 114.28 124.01 2k46 n THR 148 Ca -0.12 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 59.96 2k46 n THR 148 Cb 0.51 -0.83 -0.02 0.00 -1.55 0.00 0.00 70.33 68.44 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2k46 s PHE 149 N -1.67 3.22 0.09 1.09 5.36 -1.13 -4.47 117.98 120.48 2k46 s PHE 149 Ca 0.71 1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 57.98 2k46 s PHE 149 Cb -0.43 -3.35 0.02 0.00 -0.34 0.00 0.00 43.02 38.92 2k46 s PHE 149 CO 0.52 -0.95 0.10 0.25 -1.46 0.00 0.00 175.22 173.68 2k46 n THR 150 N 4.94 0.00 0.44 0.12 -2.24 -1.26 -4.89 114.28 111.39 2k46 n THR 150 Ca 0.11 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2k46 n THR 150 Cb 0.46 -1.57 0.38 0.00 -2.10 0.00 0.00 70.33 67.51 2k46 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k46 n GLY 151 N 3.29 -1.09 3.51 3.38 0.00 -1.26 -4.79 105.19 108.22 2k46 n GLY 151 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.13 1.05 0.31 1.61 2.36 -1.26 -4.19 119.74 116.49 2k46 s LYS 152 Ca 0.06 0.12 -0.17 0.00 -2.55 0.00 0.00 55.97 53.43 2k46 s LYS 152 Cb 0.09 0.50 -0.09 0.00 -1.05 0.00 0.00 37.83 37.28 2k46 s LYS 152 CO 0.31 -0.36 0.76 -1.17 1.55 0.00 0.00 175.35 176.45 2k46 s LEU 153 N -1.46 4.12 -0.10 5.43 0.20 0.57 -4.91 118.68 122.54 2k46 s LEU 153 Ca -0.08 1.38 -0.03 0.00 0.69 0.00 0.00 54.13 56.09 2k46 s LEU 153 Cb -0.00 -4.01 0.04 0.00 -0.43 0.00 0.00 46.19 41.79 2k46 s LEU 153 CO 0.05 -0.16 0.06 -0.55 -0.29 0.00 0.00 176.35 175.46 2k46 s SER 154 N -2.09 1.72 -0.63 3.68 0.15 -1.26 -1.35 113.70 113.92 2k46 s SER 154 Ca 0.52 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.77 2k46 s SER 154 Cb -0.12 -0.24 0.14 0.00 -1.71 0.00 0.00 66.02 64.10 2k46 s SER 154 CO 0.18 -0.28 0.63 -0.69 1.20 0.00 0.00 173.24 174.27 2k46 s VAL 155 N 2.12 5.20 -0.14 4.45 1.01 -1.02 0.23 120.40 132.25 2k46 s VAL 155 Ca 0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 2k46 s VAL 155 Cb -0.14 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2k46 s VAL 155 CO -0.06 -0.99 -0.03 -1.61 0.00 0.00 0.00 175.10 172.41 2k46 s GLU 156 N 1.56 3.49 -0.09 2.72 2.02 -0.88 -2.23 118.70 125.29 2k46 s GLU 156 Ca 0.09 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.61 2k46 s GLU 156 Cb -0.23 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.13 2k46 s GLU 156 CO 0.01 0.35 -0.19 -0.59 0.02 0.00 0.00 175.26 174.86 2k46 s PHE 157 N 0.07 2.06 -0.04 1.61 -0.71 -1.07 -0.54 117.98 119.37 2k46 s PHE 157 Ca 0.00 -0.82 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 2k46 s PHE 157 Cb -0.13 -1.42 -0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2k46 s PHE 157 CO 0.03 -0.36 0.10 0.08 -1.34 0.00 0.00 175.22 173.73 2k46 s VAL 158 N 0.50 4.96 0.53 -2.49 1.01 -0.91 -2.77 120.40 121.23 2k46 s VAL 158 Ca -0.17 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2k46 s VAL 158 Cb -0.17 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2k46 s VAL 158 CO 0.06 0.43 0.73 2.29 0.00 0.00 0.00 175.10 178.61 2k46 n LYS 159 N 1.40 0.77 -0.00 2.72 2.85 -1.26 -2.71 118.16 121.93 2k46 n LYS 159 Ca -0.15 0.29 0.01 0.00 -1.05 0.00 0.00 58.31 57.41 2k46 n LYS 159 Cb 0.53 -1.85 -0.01 0.00 -0.65 0.00 0.00 35.03 33.05 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 1.55 0.84 1.82 2.58 0.00 -1.26 -4.71 105.19 106.01 2k46 n GLY 160 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.06 -4.21 0.00 1.61 9.36 -1.26 -4.46 117.16 117.13 2k46 n TYR 161 Ca 0.00 1.27 0.00 0.00 3.32 0.00 0.00 57.90 62.49 2k46 n TYR 161 Cb 0.02 3.26 0.00 0.00 -0.63 0.00 0.00 39.34 41.99 2k46 n TYR 161 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2k46 n TYR 162 N -3.31 0.00 -1.29 2.98 4.19 -1.26 -4.99 117.16 113.48 2k46 n TYR 162 Ca 0.00 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 60.97 2k46 n TYR 162 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 2k46 n ASP 163 N -0.07 6.55 -0.30 2.98 9.92 -1.26 -4.57 116.55 129.80 2k46 n ASP 163 Ca 0.00 -3.20 0.03 0.00 -0.53 0.00 0.00 54.79 51.09 2k46 n ASP 163 Cb 0.00 -1.16 0.17 0.00 -0.64 0.00 0.00 41.12 39.50 2k46 n ASP 163 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2k46 h ASN 164 N 2.44 0.71 -0.05 -2.24 -1.24 -1.94 -3.29 115.58 109.97 2k46 h ASN 164 Ca 0.37 0.05 -0.47 0.00 0.71 0.00 0.00 56.30 56.96 2k46 h ASN 164 Cb 0.78 -0.09 0.09 0.00 0.73 0.00 0.00 38.32 39.82 2k46 h ASN 164 CO 0.88 0.41 1.28 -0.81 -1.29 0.00 0.00 177.43 177.90 2k46 n PRO 165 N -4.72 0.45 -3.23 6.67 -0.04 -1.26 -4.89 135.00 127.98 2k46 n PRO 165 Ca 0.14 -1.42 -0.20 0.00 -0.04 0.00 0.00 63.50 61.99 2k46 n PRO 165 Cb 0.28 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 2k46 n PRO 165 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2k46 s LYS 166 N 6.84 3.02 0.23 0.54 -2.85 -1.24 -4.81 119.74 121.47 2k46 s LYS 166 Ca 0.69 -0.89 -0.31 0.00 -1.00 0.00 0.00 55.97 54.46 2k46 s LYS 166 Cb 0.10 -2.72 -0.11 0.00 -2.06 0.00 0.00 37.83 33.04 2k46 s LYS 166 CO 0.26 -0.12 1.56 0.08 0.10 0.00 0.00 175.35 177.23 2k46 s VAL 167 N -2.34 2.37 -0.05 1.79 1.01 -1.02 -4.80 120.40 117.37 2k46 s VAL 167 Ca 0.48 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.78 2k46 s VAL 167 Cb -0.10 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2k46 s VAL 167 CO 0.34 0.04 -0.11 0.00 0.00 0.00 0.00 175.10 175.37 2k46 n ALA 169 N 3.69 4.21 -0.96 0.00 0.00 -0.22 -0.44 120.51 126.78 2k46 n ALA 169 Ca -0.22 -3.45 -0.36 0.00 0.00 0.00 0.00 53.44 49.42 2k46 n ALA 169 Cb 0.52 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.72 -0.41 -3.18 0.00 -0.00 0.18 -3.17 117.00 109.70 2k46 n LEU 170 Ca 0.31 0.76 0.02 0.00 -0.00 0.00 0.00 56.01 57.10 2k46 n LEU 170 Cb 0.89 -0.62 -0.01 0.00 -0.00 0.00 0.00 43.42 43.68 2k46 n LEU 170 CO 0.22 -1.62 0.09 0.12 -0.00 0.00 0.00 177.39 176.20 2k46 s PHE 171 N -0.32 -1.77 -0.17 1.96 5.36 0.54 -0.77 117.98 122.81 2k46 s PHE 171 Ca 0.52 0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 57.13 2k46 s PHE 171 Cb -0.73 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 2k46 s PHE 171 CO 0.37 -1.12 0.01 -1.50 -1.46 0.00 0.00 175.22 171.53 2k46 s ILE 172 N 2.40 4.36 0.20 3.12 -1.16 0.22 -0.84 121.20 129.51 2k46 s ILE 172 Ca 0.13 -0.19 0.09 0.00 -0.51 0.00 0.00 60.65 60.17 2k46 s ILE 172 Cb -0.08 -2.94 -0.04 0.00 0.61 0.00 0.00 42.46 40.01 2k46 s ILE 172 CO -0.18 0.48 -0.18 0.00 -2.81 0.00 0.00 174.94 172.24 2k46 s MET 173 N 0.33 1.41 0.12 3.50 0.00 -1.08 -2.75 119.30 120.83 2k46 s MET 173 Ca -0.00 -1.55 0.09 0.00 0.00 0.00 0.00 55.69 54.24 2k46 s MET 173 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 34.83 33.21 2k46 s MET 173 CO 0.01 0.28 -0.20 0.21 0.00 0.00 0.00 175.02 175.33 2k46 s LYS 174 N -3.14 1.72 0.00 3.16 2.20 -1.16 -2.06 119.74 120.45 2k46 s LYS 174 Ca 0.21 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.61 2k46 s LYS 174 Cb -0.05 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2k46 s LYS 174 CO 0.09 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.96 2k46 n GLY 175 N 0.81 2.79 0.00 5.54 0.00 0.12 -4.82 105.19 109.63 2k46 n GLY 175 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.10 2.61 -2.24 0.26 -2.81 114.28 112.20 2k46 n THR 176 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2k46 n THR 176 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.65 -0.67 6.98 0.00 -1.95 -3.36 119.26 120.91 2k46 h ALA 177 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2k46 h ALA 177 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k46 h ALA 177 CO 0.00 0.50 0.31 -0.44 0.00 0.00 0.00 179.25 179.62 2k46 h ASP 178 N 0.00 0.87 -0.96 0.00 5.19 -1.99 -2.48 116.42 117.05 2k46 h ASP 178 Ca -0.06 -0.10 0.10 0.00 -0.62 0.00 0.00 57.03 56.35 2k46 h ASP 178 Cb 1.31 -0.22 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 2k46 h ASP 178 CO 0.03 0.75 0.59 0.44 -3.12 0.00 0.00 179.24 177.93 2k46 h ASP 179 N 0.95 0.89 -0.29 6.45 3.32 -1.98 -3.41 116.42 122.35 2k46 h ASP 179 Ca 0.23 0.04 -0.53 0.00 0.02 0.00 0.00 57.03 56.79 2k46 h ASP 179 Cb 0.12 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 2k46 h ASP 179 CO -0.03 0.51 1.67 0.52 -1.72 0.00 0.00 179.24 180.19 2k46 n VAL 180 N -4.62 -0.00 -1.56 -1.35 0.31 -0.94 -4.84 118.33 105.33 2k46 n VAL 180 Ca 0.17 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 2k46 n VAL 180 Cb 0.29 -0.89 0.01 0.00 -0.91 0.00 0.00 33.84 32.35 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k46 n PRO 181 N 8.44 1.04 -3.57 5.55 -0.02 -1.26 -4.99 135.00 140.20 2k46 n PRO 181 Ca 0.59 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 62.16 2k46 n PRO 181 Cb 0.11 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 2k46 n PRO 181 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k46 s MET 182 N -1.91 0.63 -0.11 -0.52 -1.94 -1.26 -5.09 119.30 109.10 2k46 s MET 182 Ca 0.64 -1.24 -0.02 0.00 -1.71 0.00 0.00 55.69 53.36 2k46 s MET 182 Cb -0.57 -1.57 0.04 0.00 2.01 0.00 0.00 34.83 34.74 2k46 s MET 182 CO 0.56 -1.12 0.03 -0.51 -0.01 0.00 0.00 175.02 173.97 2k46 s LEU 183 N 1.25 0.61 0.67 -0.03 1.43 -1.26 -5.14 118.68 116.21 2k46 s LEU 183 Ca 0.15 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 2k46 s LEU 183 Cb -0.21 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 2k46 s LEU 183 CO -0.12 -0.25 1.05 0.00 0.23 0.00 0.00 176.35 177.26 2k46 n GLN 184 N 5.17 0.74 -1.93 1.70 1.13 -1.26 -4.88 117.38 118.06 2k46 n GLN 184 Ca -0.07 0.31 -0.42 0.00 -1.94 0.00 0.00 57.00 54.88 2k46 n GLN 184 Cb 0.49 -2.29 -0.03 0.00 0.11 0.00 0.00 30.24 28.53 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2k46 s PRO 185 N -3.21 4.20 -0.06 -1.09 0.04 -1.26 -5.01 135.00 128.62 2k46 s PRO 185 Ca 0.77 2.32 0.01 0.00 0.04 0.00 0.00 61.00 64.14 2k46 s PRO 185 Cb -0.37 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.55 2k46 s PRO 185 CO 0.47 -0.74 -0.07 -1.58 0.04 0.00 0.00 177.00 175.12 2k46 s HIS 186 N 2.77 0.99 0.00 0.56 2.46 -1.26 -5.15 115.29 115.65 2k46 s HIS 186 Ca 0.74 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.94 2k46 s HIS 186 Cb -0.39 -0.82 0.00 0.00 -0.13 0.00 0.00 32.58 31.24 2k46 s HIS 186 CO 0.32 -0.24 0.00 -0.35 -2.47 0.00 0.00 174.74 172.00 2k46 n PRO 187 N 4.08 1.76 0.00 2.88 -0.04 -1.26 -5.13 135.00 137.29 2k46 n PRO 187 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2k46 n PRO 187 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 5.00 1.06 3.87 0.55 0.00 -1.26 -5.16 105.19 109.26 2k46 n GLY 188 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 4.24 0.00 0.99 2.01 -1.26 -5.39 118.68 119.27 2k46 s LEU 189 Ca 0.00 0.84 0.00 0.00 0.01 0.00 0.00 54.13 54.98 2k46 s LEU 189 Cb 0.00 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.75 2k46 s LEU 189 CO 0.00 0.01 0.00 1.21 1.01 0.00 0.00 176.35 178.58