#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 0.65 -0.42 4.61 0.00 -1.26 -4.95 121.76 120.39 2k46 s ALA 2 Ca 0.00 -1.89 -0.18 0.00 0.00 0.00 0.00 51.96 49.88 2k46 s ALA 2 Cb 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2k46 s ALA 2 CO 0.00 -2.06 0.56 -1.33 0.00 0.00 0.00 175.76 172.94 2k46 n MET 3 N 3.32 -2.37 -0.05 0.00 0.00 -1.26 -4.96 117.12 111.81 2k46 n MET 3 Ca 0.22 2.05 -0.00 0.00 0.00 0.00 0.00 57.70 59.97 2k46 n MET 3 Cb 0.46 -5.04 -0.15 0.00 0.00 0.00 0.00 33.22 28.49 2k46 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2k46 n SER 4 N -0.19 0.09 -0.65 7.83 7.64 -1.26 -5.05 113.62 122.03 2k46 n SER 4 Ca 0.08 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2k46 n SER 4 Cb 0.47 1.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k46 n GLY 5 N 1.50 0.24 0.07 0.23 0.00 -1.26 -4.98 105.19 100.99 2k46 n GLY 5 Ca -0.18 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 0.04 -2.33 0.99 5.85 -1.89 -3.09 115.31 114.89 2k46 h LEU 6 Ca 0.00 -0.72 0.02 0.00 0.84 0.00 0.00 57.88 58.02 2k46 h LEU 6 Cb 0.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2k46 h LEU 6 CO 0.00 0.76 0.22 0.00 -0.34 0.00 0.00 178.44 179.07 2k46 h ALA 7 N 0.29 1.41 0.00 1.25 0.00 -1.80 0.39 119.26 120.79 2k46 h ALA 7 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k46 h ALA 7 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k46 h ALA 7 CO 0.01 -0.25 0.00 0.22 0.00 0.00 0.00 179.25 179.22 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 3.58 -1.89 -3.25 116.42 114.85 2k46 h ASP 8 Ca 0.03 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2k46 h ASP 8 Cb 0.47 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2k46 h ASP 8 CO -0.00 0.00 -2.05 0.29 -2.88 0.00 0.00 179.24 174.60 2k46 n LYS 9 N -3.06 0.72 -1.49 0.28 4.76 0.09 -5.00 118.16 114.46 2k46 n LYS 9 Ca 0.03 -0.13 -0.45 0.00 -2.87 0.00 0.00 58.31 54.90 2k46 n LYS 9 Cb 0.45 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.37 1.91 0.00 -0.18 3.14 -0.95 -2.15 118.33 117.73 2k46 n VAL 10 Ca -0.13 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2k46 n VAL 10 Cb 0.73 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 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 -0.15 0.00 -3.63 1.55 -5.35 -1.16 -4.85 119.36 105.77 2k46 n ILE 11 Ca 0.13 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.55 2k46 n ILE 11 Cb 0.32 0.04 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 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 -0.40 -0.23 -0.19 4.28 -0.00 -1.12 -5.09 118.94 116.19 2k46 s TRP 12 Ca 0.00 0.48 -0.28 0.00 -0.00 0.00 0.00 56.10 56.31 2k46 s TRP 12 Cb 0.00 0.45 0.10 0.00 -0.00 0.00 0.00 33.47 34.02 2k46 s TRP 12 CO 0.00 -0.15 0.86 0.00 -0.00 0.00 0.00 176.95 177.66 2k46 s ALA 13 N -0.42 -1.87 -0.12 5.86 0.00 -1.26 -1.22 121.76 122.73 2k46 s ALA 13 Ca 0.05 1.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 2k46 s ALA 13 Cb -0.03 -0.84 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2k46 s ALA 13 CO -0.08 -0.31 0.28 0.08 0.00 0.00 0.00 175.76 175.74 2k46 s VAL 14 N -0.41 -0.06 -0.72 0.00 1.01 0.76 -0.99 120.40 119.99 2k46 s VAL 14 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2k46 s VAL 14 Cb -0.03 -0.44 0.18 0.00 0.00 0.00 0.00 36.38 36.10 2k46 s VAL 14 CO 0.01 0.06 0.56 0.21 0.00 0.00 0.00 175.10 175.94 2k46 s ASN 15 N 1.35 5.51 -0.44 3.32 2.47 -1.26 -1.06 114.94 124.84 2k46 s ASN 15 Ca -0.09 -3.14 -0.28 0.00 0.42 0.00 0.00 52.86 49.77 2k46 s ASN 15 Cb -0.10 -1.88 -0.08 0.00 -1.45 0.00 0.00 41.25 37.74 2k46 s ASN 15 CO -0.10 -0.31 2.37 0.00 -3.72 0.00 0.00 177.10 175.34 2k46 n ALA 16 N 3.11 1.04 0.00 1.71 0.00 0.95 -2.92 120.51 124.40 2k46 n ALA 16 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k46 n ALA 16 Cb 0.38 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.83 2k46 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k46 n GLY 17 N 6.04 0.26 0.00 0.00 0.00 -1.26 -2.51 105.19 107.72 2k46 n GLY 17 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 3.62 3.51 -0.02 0.00 -1.15 -3.52 105.19 107.64 2k46 n GLY 18 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 3.66 0.42 0.00 1.61 2.12 -1.26 -4.41 118.70 120.83 2k46 s GLU 19 Ca 0.00 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2k46 s GLU 19 Cb 0.00 0.62 0.00 0.00 0.26 0.00 0.00 34.13 35.01 2k46 s GLU 19 CO 0.00 -0.14 0.00 -1.13 -0.54 0.00 0.00 175.26 173.45 2k46 n SER 20 N 5.15 -4.58 -4.09 -1.70 3.41 -1.22 -4.90 113.62 105.69 2k46 n SER 20 Ca -0.11 0.44 -0.23 0.00 -0.26 0.00 0.00 58.87 58.71 2k46 n SER 20 Cb 0.51 -1.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.31 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 -0.32 1.33 -0.35 7.33 2.46 -1.11 -4.90 115.29 119.72 2k46 s HIS 21 Ca 0.00 -0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.19 2k46 s HIS 21 Cb 0.00 -0.89 0.08 0.00 -0.13 0.00 0.00 32.58 31.64 2k46 s HIS 21 CO 0.00 -0.08 0.10 0.54 -2.47 0.00 0.00 174.74 172.83 2k46 s VAL 22 N -0.10 3.18 0.73 0.89 0.11 -1.26 -0.27 120.40 123.68 2k46 s VAL 22 Ca 0.01 -1.69 -0.13 0.00 -2.93 0.00 0.00 61.98 57.23 2k46 s VAL 22 Cb -0.08 -3.00 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2k46 s VAL 22 CO 0.00 -0.39 1.13 -0.62 -3.33 0.00 0.00 175.10 171.89 2k46 s ASP 23 N 1.51 4.54 0.28 3.54 2.15 -0.11 -4.79 116.67 123.79 2k46 s ASP 23 Ca 0.02 2.05 -0.02 0.00 0.43 0.00 0.00 52.55 55.03 2k46 s ASP 23 Cb -0.21 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.48 2k46 s ASP 23 CO -0.02 -2.02 1.61 -0.37 -0.17 0.00 0.00 175.17 174.19 2k46 h VAL 24 N -0.52 0.18 0.00 1.11 -1.51 -1.95 1.02 116.25 114.58 2k46 h VAL 24 Ca -0.46 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2k46 h VAL 24 Cb 1.26 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2k46 h VAL 24 CO 0.51 0.01 0.00 1.41 -1.23 0.00 0.00 177.57 178.27 2k46 n HIS 25 N -5.40 0.63 -0.03 5.19 8.25 -1.26 -4.79 115.22 117.81 2k46 n HIS 25 Ca 0.19 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2k46 n HIS 25 Cb 0.64 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.77 2k46 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k46 n GLY 26 N -0.86 1.68 3.41 -1.41 0.00 0.35 -3.71 105.19 104.65 2k46 n GLY 26 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.66 -0.13 -0.61 -1.09 -1.11 -4.56 121.20 116.35 2k46 s ILE 27 Ca 0.00 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2k46 s ILE 27 Cb 0.00 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 2k46 s ILE 27 CO 0.00 -0.13 0.19 -2.28 -1.23 0.00 0.00 174.94 171.49 2k46 s HIS 28 N 1.59 3.55 -0.16 3.97 2.46 -1.25 -0.93 115.29 124.53 2k46 s HIS 28 Ca 0.03 0.55 -0.11 0.00 0.47 0.00 0.00 55.06 56.00 2k46 s HIS 28 Cb -0.18 -2.09 -0.05 0.00 -0.13 0.00 0.00 32.58 30.13 2k46 s HIS 28 CO 0.07 0.55 0.22 -0.47 -2.47 0.00 0.00 174.74 172.64 2k46 s TYR 29 N -0.50 3.48 -0.61 3.88 5.04 0.63 -4.23 117.35 125.05 2k46 s TYR 29 Ca 0.15 0.52 -0.25 0.00 -2.44 0.00 0.00 57.07 55.04 2k46 s TYR 29 Cb -0.12 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.02 2k46 s TYR 29 CO 0.04 0.36 1.07 1.03 -1.34 0.00 0.00 175.55 176.71 2k46 s ARG 30 N 0.09 3.31 0.00 4.97 0.52 -0.16 -2.76 118.95 124.91 2k46 s ARG 30 Ca 0.14 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2k46 s ARG 30 Cb -0.12 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2k46 s ARG 30 CO 0.03 -1.71 0.00 1.17 0.02 0.00 0.00 175.30 174.80 2k46 n LYS 31 N 8.08 0.00 0.00 3.54 4.81 -1.26 -3.80 118.16 129.53 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 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 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 0.00 0.00 -1.04 3.14 5.68 -1.26 -4.75 116.55 118.32 2k46 n ASP 32 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 2k46 n ASP 32 Cb 0.00 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.24 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2k46 n PRO 33 N 0.00 2.88 0.00 0.11 -0.04 -1.25 -4.21 135.00 132.49 2k46 n PRO 33 Ca 0.00 -2.92 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 2k46 n PRO 33 Cb 0.00 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2k46 n PRO 33 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k46 n LEU 34 N -0.55 0.00 0.00 1.53 0.00 -1.26 -4.94 117.00 111.78 2k46 n LEU 34 Ca 0.25 0.72 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2k46 n LEU 34 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 44.17 2k46 n LEU 34 CO 0.19 -0.22 0.00 -0.62 0.00 0.00 0.00 177.39 176.74 2k46 n GLU 35 N -1.20 0.00 -0.13 1.96 1.02 -1.26 -4.91 120.64 116.12 2k46 n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k46 n GLU 35 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k46 n GLY 36 N 0.00 0.56 2.53 0.62 0.00 -1.26 -4.99 105.19 102.64 2k46 n GLY 36 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -2.00 1.41 -4.04 1.61 3.00 -1.26 -5.07 116.66 110.31 2k46 n ARG 37 Ca 0.00 -3.99 -0.35 0.00 -0.01 0.00 0.00 57.85 53.50 2k46 n ARG 37 Cb 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 32.46 30.39 2k46 n ARG 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2k46 s VAL 38 N -1.31 3.87 -0.68 1.55 1.01 -1.26 -4.44 120.40 119.13 2k46 s VAL 38 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 2k46 s VAL 38 Cb 0.06 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2k46 s VAL 38 CO -0.13 0.42 0.61 0.61 0.00 0.00 0.00 175.10 176.62 2k46 n GLY 39 N 4.37 -0.77 2.02 4.51 0.00 -1.26 -4.98 105.19 109.07 2k46 n GLY 39 Ca -0.17 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.29 0.00 -1.72 1.61 1.74 -1.26 -5.16 116.66 109.58 2k46 n ARG 40 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2k46 n ARG 40 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 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 -2.73 -2.24 -2.25 7.54 0.00 -1.26 -4.81 120.51 114.75 2k46 n ALA 41 Ca 0.00 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 2k46 n ALA 41 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 1.41 7.50 -0.84 0.00 2.88 -1.23 -4.69 113.62 118.66 2k46 n SER 42 Ca 0.00 -3.52 -0.00 0.00 -1.33 0.00 0.00 58.87 54.02 2k46 n SER 42 Cb 0.00 -1.21 0.04 0.00 -0.75 0.00 0.00 64.21 62.28 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 0.45 2.10 -4.53 -3.46 5.68 -1.25 -4.45 116.55 111.09 2k46 n ASP 43 Ca 0.53 -2.14 -0.40 0.00 -0.50 0.00 0.00 54.79 52.28 2k46 n ASP 43 Cb 0.28 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.67 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k46 n TYR 44 N 0.16 1.34 -2.13 2.11 9.36 -1.26 -4.01 117.16 122.73 2k46 n TYR 44 Ca 0.05 0.17 -0.01 0.00 3.32 0.00 0.00 57.90 61.43 2k46 n TYR 44 Cb 0.46 -2.58 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 6.18 -5.03 0.14 2.98 0.00 -1.26 -4.87 105.19 103.34 2k46 n GLY 45 Ca 0.43 0.37 0.14 0.00 0.00 0.00 0.00 46.02 46.96 2k46 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k46 n MET 46 N 1.37 0.81 -0.74 1.61 2.81 -1.26 -4.91 117.12 116.82 2k46 n MET 46 Ca -0.11 -0.29 -0.32 0.00 -1.81 0.00 0.00 57.70 55.17 2k46 n MET 46 Cb 0.16 -1.49 0.14 0.00 -0.71 0.00 0.00 33.22 31.32 2k46 n MET 46 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k46 n LYS 47 N -0.84 -0.73 -3.47 0.03 0.00 -1.26 -3.53 118.16 108.36 2k46 n LYS 47 Ca 0.16 -0.17 -0.19 0.00 -0.00 0.00 0.00 58.31 58.10 2k46 n LYS 47 Cb 0.27 -1.89 0.07 0.00 -0.00 0.00 0.00 35.03 33.48 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k46 n LEU 48 N -1.89 -4.13 -4.91 -5.58 7.99 -1.26 -4.99 117.00 102.23 2k46 n LEU 48 Ca 0.06 -0.73 -0.28 0.00 -0.01 0.00 0.00 56.01 55.04 2k46 n LEU 48 Cb 0.55 -2.97 0.07 0.00 -0.11 0.00 0.00 43.42 40.97 2k46 n LEU 48 CO 0.51 0.32 0.71 -2.16 -1.51 0.00 0.00 177.39 175.26 2k46 s PRO 49 N -5.31 2.29 0.25 3.23 0.04 -1.23 -5.03 135.00 129.24 2k46 s PRO 49 Ca 0.17 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.97 2k46 s PRO 49 Cb -0.03 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2k46 s PRO 49 CO 0.77 -1.31 1.23 0.42 0.04 0.00 0.00 177.00 178.15 2k46 s ILE 50 N -3.39 3.23 -0.19 0.56 1.09 -1.26 -4.88 121.20 116.36 2k46 s ILE 50 Ca 0.60 1.13 -0.19 0.00 -1.10 0.00 0.00 60.65 61.09 2k46 s ILE 50 Cb -0.11 -3.72 -0.21 0.00 -1.06 0.00 0.00 42.46 37.36 2k46 s ILE 50 CO 0.48 0.23 0.28 -0.07 -0.10 0.00 0.00 174.94 175.76 2k46 h LEU 51 N 4.39 0.09 -2.73 2.97 -0.00 -1.84 -3.38 115.31 114.80 2k46 h LEU 51 Ca -0.46 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 56.80 2k46 h LEU 51 Cb 1.22 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2k46 h LEU 51 CO 0.71 1.54 0.00 0.54 -0.00 0.00 0.00 178.44 181.22 2k46 n ARG 52 N -4.27 0.82 -3.72 1.13 3.00 -1.26 -4.75 116.66 107.60 2k46 n ARG 52 Ca -0.31 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.40 2k46 n ARG 52 Cb 0.74 -1.09 -0.09 0.00 0.00 0.00 0.00 32.46 32.02 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 1.62 -0.35 0.50 0.55 0.15 -1.26 -4.82 113.70 110.09 2k46 s SER 53 Ca 0.00 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 56.93 2k46 s SER 53 Cb 0.00 0.60 -0.07 0.00 -1.71 0.00 0.00 66.02 64.84 2k46 s SER 53 CO 0.00 -0.31 1.34 -3.20 1.20 0.00 0.00 173.24 172.27 2k46 n ASN 54 N 2.03 2.73 -0.35 5.45 5.15 -1.26 -4.59 115.26 124.41 2k46 n ASN 54 Ca -0.17 1.03 -0.01 0.00 -0.60 0.00 0.00 54.58 54.83 2k46 n ASN 54 Cb 0.57 -1.56 0.05 0.00 -0.53 0.00 0.00 39.78 38.30 2k46 n ASN 54 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2k46 h PRO 55 N 1.72 -0.02 0.41 1.20 0.11 -1.96 1.81 132.00 135.26 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 1.30 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2k46 h PRO 55 CO 0.58 -0.02 -0.20 0.93 -0.21 0.00 0.00 178.00 179.09 2k46 h GLU 56 N -0.02 -0.53 0.00 1.05 4.39 -1.99 -2.23 114.58 115.26 2k46 h GLU 56 Ca 0.34 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2k46 h GLU 56 Cb 0.60 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2k46 h GLU 56 CO -0.94 -0.23 0.00 -0.40 -1.16 0.00 0.00 179.01 176.27 2k46 n ASP 57 N -5.23 0.00 -0.00 1.42 5.75 -0.88 -1.46 116.55 116.15 2k46 n ASP 57 Ca -0.10 0.43 -0.13 0.00 -0.01 0.00 0.00 54.79 54.98 2k46 n ASP 57 Cb 0.28 -0.46 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2k46 h GLN 58 N 0.00 0.03 -0.63 0.11 4.15 0.34 0.18 115.11 119.29 2k46 h GLN 58 Ca 0.00 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.52 2k46 h GLN 58 Cb 0.22 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 2k46 h GLN 58 CO 0.00 0.34 0.19 0.28 -1.93 0.00 0.00 178.83 177.71 2k46 h VAL 59 N -0.27 0.68 0.00 2.39 2.07 -1.04 0.93 116.25 121.01 2k46 h VAL 59 Ca 0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k46 h VAL 59 Cb 0.32 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2k46 h VAL 59 CO 0.00 0.06 0.00 -0.11 0.02 0.00 0.00 177.57 177.54 2k46 n LEU 60 N -5.07 0.45 -0.12 2.57 7.94 -1.05 -2.31 117.00 119.41 2k46 n LEU 60 Ca 0.10 0.59 0.09 0.00 -1.11 0.00 0.00 56.01 55.69 2k46 n LEU 60 Cb 0.33 -0.51 0.14 0.00 0.53 0.00 0.00 43.42 43.90 2k46 n LEU 60 CO 0.19 -0.37 0.55 -1.22 -1.11 0.00 0.00 177.39 175.42 2k46 n TYR 61 N -1.98 0.00 0.13 1.96 4.02 0.12 -4.52 117.16 116.90 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 0.25 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.37 0.00 -1.31 -0.72 7.27 0.28 -4.76 117.38 116.77 2k46 n GLN 62 Ca 0.16 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.79 2k46 n GLN 62 Cb 0.65 -0.05 -0.01 0.00 2.41 0.00 0.00 30.24 33.23 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 -3.46 1.20 -4.51 1.69 -2.24 -0.98 -4.75 114.28 101.23 2k46 n THR 63 Ca 0.00 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 2k46 n THR 63 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.98 1.17 0.45 -0.78 -1.05 -1.23 -3.90 118.70 112.38 2k46 s GLU 64 Ca 0.60 -0.84 0.07 0.00 -0.15 0.00 0.00 54.97 54.65 2k46 s GLU 64 Cb -0.75 -1.23 -0.01 0.00 -0.44 0.00 0.00 34.13 31.71 2k46 s GLU 64 CO 0.58 0.31 0.40 0.50 0.95 0.00 0.00 175.26 178.00 2k46 s ARG 65 N -1.12 2.45 1.29 -4.83 3.52 -1.05 -4.17 118.95 115.04 2k46 s ARG 65 Ca 0.05 -1.64 -0.18 0.00 -0.13 0.00 0.00 55.73 53.82 2k46 s ARG 65 Cb -0.08 -2.32 0.30 0.00 -1.56 0.00 0.00 34.95 31.28 2k46 s ARG 65 CO 0.01 -0.30 0.75 0.66 -0.81 0.00 0.00 175.30 175.61 2k46 n TYR 66 N -1.61 -2.50 -3.96 5.12 4.01 -1.26 -4.92 117.16 112.04 2k46 n TYR 66 Ca 0.03 -0.39 -0.09 0.00 -0.16 0.00 0.00 57.90 57.29 2k46 n TYR 66 Cb 0.62 -1.49 -0.06 0.00 -0.31 0.00 0.00 39.34 38.10 2k46 n TYR 66 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k46 s ASN 67 N -2.54 -0.06 0.00 7.72 4.22 -1.26 -5.07 114.94 117.95 2k46 s ASN 67 Ca 0.63 -0.86 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 2k46 s ASN 67 Cb -0.16 0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.89 2k46 s ASN 67 CO 0.58 -1.02 0.00 1.21 -2.04 0.00 0.00 177.10 175.83 2k46 n GLU 68 N -0.31 0.00 -3.65 3.55 4.07 -1.26 -5.06 120.64 117.98 2k46 n GLU 68 Ca -0.05 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.04 2k46 n GLU 68 Cb 0.63 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.94 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2k46 s ASP 69 N 2.00 -0.30 -0.28 4.31 1.47 -1.26 -4.81 116.67 117.80 2k46 s ASP 69 Ca 0.00 0.50 -0.21 0.00 1.18 0.00 0.00 52.55 54.02 2k46 s ASP 69 Cb 0.00 0.97 0.03 0.00 -0.34 0.00 0.00 42.92 43.58 2k46 s ASP 69 CO 0.00 -0.08 0.38 -0.24 0.68 0.00 0.00 175.17 175.91 2k46 n SER 70 N 3.06 -6.28 -3.78 2.11 2.88 -1.20 -5.01 113.62 105.41 2k46 n SER 70 Ca -0.16 0.22 -0.10 0.00 -1.33 0.00 0.00 58.87 57.49 2k46 n SER 70 Cb 0.57 -2.23 -0.07 0.00 -0.75 0.00 0.00 64.21 61.73 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 -1.42 -0.01 0.00 0.66 -0.71 -1.10 -4.95 117.98 110.45 2k46 s PHE 71 Ca 0.21 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 2k46 s PHE 71 Cb -0.03 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2k46 s PHE 71 CO 0.55 -0.56 0.00 0.41 -1.34 0.00 0.00 175.22 174.28 2k46 n GLY 72 N 0.13 1.27 3.40 1.99 0.00 -1.26 -2.52 105.19 108.20 2k46 n GLY 72 Ca -0.17 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.85 1.81 -0.08 1.61 1.51 -0.99 -4.72 117.35 115.64 2k46 s TYR 73 Ca 0.00 -0.98 0.05 0.00 -1.01 0.00 0.00 57.07 55.13 2k46 s TYR 73 Cb 0.00 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 2k46 s TYR 73 CO 0.00 -0.05 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.65 2k46 s ASP 74 N -3.42 3.16 -0.53 2.29 1.11 -1.26 -2.63 116.67 115.39 2k46 s ASP 74 Ca 0.35 -0.52 0.04 0.00 0.18 0.00 0.00 52.55 52.60 2k46 s ASP 74 Cb 0.08 -1.16 0.14 0.00 1.07 0.00 0.00 42.92 43.05 2k46 s ASP 74 CO 0.14 0.20 0.31 -0.63 1.18 0.00 0.00 175.17 176.37 2k46 s ILE 75 N 0.10 2.08 0.20 0.77 1.09 0.41 -4.92 121.20 120.93 2k46 s ILE 75 Ca -0.11 -3.23 -0.32 0.00 -1.10 0.00 0.00 60.65 55.88 2k46 s ILE 75 Cb -0.16 -2.42 -0.13 0.00 -1.06 0.00 0.00 42.46 38.68 2k46 s ILE 75 CO 0.06 -0.91 1.50 -2.65 -0.10 0.00 0.00 174.94 172.84 2k46 n PRO 76 N 2.97 2.14 -4.24 2.79 -0.02 -1.26 -0.34 135.00 137.03 2k46 n PRO 76 Ca 0.12 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 62.16 2k46 n PRO 76 Cb 0.35 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 0.42 1.43 0.00 4.25 1.01 -1.18 -4.90 121.20 122.24 2k46 s ILE 77 Ca 0.73 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2k46 s ILE 77 Cb -0.65 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2k46 s ILE 77 CO 0.44 -0.21 0.07 0.29 0.00 0.00 0.00 174.94 175.52 2k46 n LYS 78 N 0.99 0.00 -4.57 2.79 5.02 -1.26 -4.86 118.16 116.26 2k46 n LYS 78 Ca -0.19 -0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 55.77 2k46 n LYS 78 Cb 0.55 -0.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 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 1.90 0.27 1.97 0.41 -1.26 -5.16 118.70 116.83 2k46 s GLU 79 Ca 0.00 -2.11 0.06 0.00 -0.41 0.00 0.00 54.97 52.50 2k46 s GLU 79 Cb 0.00 -1.19 -0.06 0.00 -1.78 0.00 0.00 34.13 31.10 2k46 s GLU 79 CO 0.00 -0.23 -0.04 -1.21 -0.49 0.00 0.00 175.26 173.30 2k46 s GLU 80 N -3.80 1.50 0.00 1.61 8.01 -1.26 -5.01 118.70 119.75 2k46 s GLU 80 Ca 0.28 -1.77 0.00 0.00 0.01 0.00 0.00 54.97 53.49 2k46 s GLU 80 Cb 0.07 -1.00 0.00 0.00 -4.31 0.00 0.00 34.13 28.89 2k46 s GLU 80 CO 0.14 -0.01 0.00 0.41 0.01 0.00 0.00 175.26 175.80 2k46 n GLY 81 N -0.55 0.61 3.44 -1.39 0.00 -0.88 -4.89 105.19 101.53 2k46 n GLY 81 Ca -0.05 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.00 3.07 -0.18 1.61 2.02 -1.13 -1.75 118.70 120.33 2k46 s GLU 82 Ca 0.00 -0.97 -0.15 0.00 0.02 0.00 0.00 54.97 53.87 2k46 s GLU 82 Cb 0.00 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2k46 s GLU 82 CO 0.00 -1.01 0.34 0.71 0.02 0.00 0.00 175.26 175.32 2k46 s TYR 83 N 2.14 3.41 -0.17 1.61 1.51 -0.59 0.07 117.35 125.33 2k46 s TYR 83 Ca 0.11 0.59 0.01 0.00 -1.01 0.00 0.00 57.07 56.76 2k46 s TYR 83 Cb -0.20 -2.43 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 2k46 s TYR 83 CO 0.11 0.11 -0.17 0.08 -1.11 0.00 0.00 175.55 174.56 2k46 s VAL 84 N 0.91 2.38 -0.49 0.71 1.01 -1.05 -0.37 120.40 123.50 2k46 s VAL 84 Ca 0.17 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 2k46 s VAL 84 Cb -0.14 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2k46 s VAL 84 CO 0.06 0.52 0.57 -0.76 0.00 0.00 0.00 175.10 175.49 2k46 s LEU 85 N 1.08 5.07 -0.46 3.92 1.43 -1.11 -2.67 118.68 125.93 2k46 s LEU 85 Ca -0.00 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 51.98 2k46 s LEU 85 Cb -0.14 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.74 2k46 s LEU 85 CO -0.06 -0.81 0.40 -0.69 0.23 0.00 0.00 176.35 175.42 2k46 s VAL 86 N 2.40 5.20 -0.08 -1.59 1.01 -0.06 -2.53 120.40 124.75 2k46 s VAL 86 Ca 0.13 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2k46 s VAL 86 Cb -0.20 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2k46 s VAL 86 CO 0.11 -0.55 -0.18 -1.48 0.00 0.00 0.00 175.10 173.00 2k46 s LEU 87 N 1.75 2.48 -0.29 3.92 2.34 -1.10 -1.35 118.68 126.42 2k46 s LEU 87 Ca 0.05 -0.37 -0.08 0.00 0.06 0.00 0.00 54.13 53.80 2k46 s LEU 87 Cb -0.23 -1.51 -0.00 0.00 -0.56 0.00 0.00 46.19 43.89 2k46 s LEU 87 CO 0.08 0.24 0.10 -0.75 -1.06 0.00 0.00 176.35 174.96 2k46 s LYS 88 N -0.09 3.26 -0.03 1.48 2.47 -1.18 -2.00 119.74 123.65 2k46 s LYS 88 Ca -0.04 -0.75 -0.01 0.00 -1.56 0.00 0.00 55.97 53.61 2k46 s LYS 88 Cb -0.14 -3.43 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 2k46 s LYS 88 CO 0.04 -0.40 0.06 -0.06 0.16 0.00 0.00 175.35 175.16 2k46 s PHE 89 N 1.56 3.27 0.05 4.03 0.08 -0.78 -1.55 117.98 124.64 2k46 s PHE 89 Ca 0.04 0.23 -0.13 0.00 0.12 0.00 0.00 56.93 57.18 2k46 s PHE 89 Cb -0.17 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2k46 s PHE 89 CO 0.04 0.55 0.29 0.00 -0.10 0.00 0.00 175.22 175.99 2k46 s ALA 90 N -1.10 -0.63 -0.08 5.36 0.00 -1.16 -1.81 121.76 122.34 2k46 s ALA 90 Ca 0.20 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2k46 s ALA 90 Cb -0.12 0.35 0.10 0.00 0.00 0.00 0.00 23.12 23.46 2k46 s ALA 90 CO 0.10 -0.43 0.86 -2.00 0.00 0.00 0.00 175.76 174.29 2k46 s GLU 91 N -2.74 0.82 0.00 0.00 2.12 -1.26 -2.12 118.70 115.52 2k46 s GLU 91 Ca -0.04 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2k46 s GLU 91 Cb -0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 2k46 s GLU 91 CO -0.05 -0.29 0.00 1.55 -0.54 0.00 0.00 175.26 175.94 2k46 n VAL 92 N 0.52 0.00 -2.28 3.70 3.14 -1.26 -4.65 118.33 117.51 2k46 n VAL 92 Ca -0.13 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.84 2k46 n VAL 92 Cb 0.59 0.01 -0.03 0.00 -1.06 0.00 0.00 33.84 33.35 2k46 n VAL 92 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2k46 s TYR 93 N -0.27 3.32 -0.21 1.45 1.51 -1.26 -4.42 117.35 117.46 2k46 s TYR 93 Ca 0.00 1.32 -0.09 0.00 -1.01 0.00 0.00 57.07 57.29 2k46 s TYR 93 Cb 0.00 -3.54 0.03 0.00 -0.11 0.00 0.00 41.96 38.35 2k46 s TYR 93 CO 0.00 -1.60 0.17 1.19 -1.11 0.00 0.00 175.55 174.20 2k46 n PHE 94 N 2.47 -4.12 -2.56 2.71 3.72 -1.26 -4.82 117.46 113.60 2k46 n PHE 94 Ca 0.05 2.25 -0.43 0.00 -0.05 0.00 0.00 57.45 59.27 2k46 n PHE 94 Cb 0.43 -3.82 0.00 0.00 -0.94 0.00 0.00 39.48 35.16 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 1.34 3.78 -2.36 4.37 0.00 -1.26 -4.92 120.51 121.45 2k46 n ALA 95 Ca -0.29 -3.92 -0.12 0.00 0.00 0.00 0.00 53.44 49.11 2k46 n ALA 95 Cb 0.45 -3.52 -0.10 0.00 0.00 0.00 0.00 19.45 16.28 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 3.71 0.78 0.02 0.00 1.03 -1.26 -5.17 119.66 118.78 2k46 s GLN 96 Ca 0.52 -1.19 0.01 0.00 0.04 0.00 0.00 55.36 54.73 2k46 s GLN 96 Cb 0.04 -0.29 -0.02 0.00 0.03 0.00 0.00 33.01 32.77 2k46 s GLN 96 CO 0.05 0.02 -0.05 -1.12 -2.54 0.00 0.00 175.29 171.65 2k46 s SER 97 N -2.66 0.55 -1.42 12.60 0.01 -1.26 -4.33 113.70 117.19 2k46 s SER 97 Ca 0.07 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2k46 s SER 97 Cb 0.01 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2k46 s SER 97 CO -0.03 -0.18 0.00 1.67 0.41 0.00 0.00 173.24 175.11 2k46 n GLN 98 N 1.86 -1.68 0.05 12.44 -0.06 -1.26 -4.70 117.38 124.02 2k46 n GLN 98 Ca -0.21 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 2k46 n GLN 98 Cb 0.56 -5.23 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2k46 n GLN 99 N -2.40 0.00 -3.11 3.69 7.27 -1.26 -4.95 117.38 116.62 2k46 n GLN 99 Ca -0.16 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.46 2k46 n GLN 99 Cb 0.55 -0.37 -0.04 0.00 2.41 0.00 0.00 30.24 32.80 2k46 n GLN 99 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2k46 s LYS 100 N -2.00 3.22 0.08 3.69 2.20 -1.26 -5.03 119.74 120.64 2k46 s LYS 100 Ca 0.00 -1.57 0.05 0.00 -0.36 0.00 0.00 55.97 54.09 2k46 s LYS 100 Cb 0.00 -4.40 -0.04 0.00 -1.51 0.00 0.00 37.83 31.88 2k46 s LYS 100 CO 0.00 -1.55 -0.01 0.14 -0.36 0.00 0.00 175.35 173.57 2k46 s VAL 101 N 2.30 3.95 0.44 4.02 -7.23 -1.26 -4.52 120.40 118.09 2k46 s VAL 101 Ca 0.16 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2k46 s VAL 101 Cb -0.19 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 2k46 s VAL 101 CO 0.01 0.17 0.00 0.49 -0.31 0.00 0.00 175.10 175.46 2k46 n PHE 102 N 0.74 0.99 -4.41 2.82 3.72 -0.88 -3.75 117.46 116.69 2k46 n PHE 102 Ca -0.12 -2.16 -0.20 0.00 -0.05 0.00 0.00 57.45 54.92 2k46 n PHE 102 Cb 0.52 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 2k46 n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k46 s ASP 103 N -3.40 1.45 -0.02 4.37 1.01 -1.06 0.07 116.67 119.09 2k46 s ASP 103 Ca 0.01 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.94 2k46 s ASP 103 Cb 0.00 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.83 2k46 s ASP 103 CO 0.00 0.07 -0.02 -0.69 0.21 0.00 0.00 175.17 174.75 2k46 s VAL 104 N -0.58 0.25 0.06 -1.27 1.01 -0.56 -2.29 120.40 117.02 2k46 s VAL 104 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2k46 s VAL 104 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2k46 s VAL 104 CO 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 175.10 175.14 2k46 s ARG 105 N 0.69 0.67 -0.12 2.72 1.70 -0.56 -1.33 118.95 122.72 2k46 s ARG 105 Ca -0.07 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 2k46 s ARG 105 Cb -0.10 -0.44 0.02 0.00 -0.57 0.00 0.00 34.95 33.85 2k46 s ARG 105 CO -0.01 0.08 -0.15 0.14 -1.08 0.00 0.00 175.30 174.28 2k46 s VAL 106 N -1.71 1.52 -1.23 4.99 -7.23 0.58 -2.35 120.40 114.97 2k46 s VAL 106 Ca -0.04 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2k46 s VAL 106 Cb -0.08 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2k46 s VAL 106 CO 0.00 0.45 0.00 -3.20 -0.31 0.00 0.00 175.10 172.04 2k46 n ASN 107 N 4.35 -3.95 0.00 4.85 4.05 0.17 -0.26 115.26 124.48 2k46 n ASN 107 Ca -0.18 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.07 2k46 n ASN 107 Cb 0.51 -3.44 0.00 0.00 1.23 0.00 0.00 39.78 38.07 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 -0.64 1.06 2.86 8.20 0.00 -1.24 -4.80 105.19 110.62 2k46 n GLY 108 Ca -0.15 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 1.78 -0.06 1.61 3.76 0.65 -5.07 115.29 115.96 2k46 s HIS 109 Ca 0.00 -1.31 -0.30 0.00 -0.15 0.00 0.00 55.06 53.31 2k46 s HIS 109 Cb 0.00 -1.33 -0.06 0.00 1.11 0.00 0.00 32.58 32.30 2k46 s HIS 109 CO 0.00 -0.68 1.73 0.95 -0.85 0.00 0.00 174.74 175.88 2k46 s THR 110 N 1.60 3.47 -0.08 1.30 -4.23 -1.26 -0.31 115.64 116.13 2k46 s THR 110 Ca -0.03 0.56 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2k46 s THR 110 Cb -0.17 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.20 2k46 s THR 110 CO -0.07 -0.07 -0.01 0.52 -0.54 0.00 0.00 174.62 174.45 2k46 n VAL 111 N 5.65 0.53 -3.69 2.29 0.31 -0.44 -4.87 118.33 118.11 2k46 n VAL 111 Ca 0.18 -0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 63.93 2k46 n VAL 111 Cb 0.43 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.19 1.28 -1.04 2.52 1.01 -1.15 -5.03 120.40 115.80 2k46 s VAL 112 Ca -0.07 -2.42 -0.05 0.00 0.00 0.00 0.00 61.98 59.44 2k46 s VAL 112 Cb 0.03 -1.90 0.27 0.00 0.00 0.00 0.00 36.38 34.78 2k46 s VAL 112 CO 0.28 -0.89 1.12 2.29 0.00 0.00 0.00 175.10 177.90 2k46 n LYS 113 N 3.67 3.52 0.00 2.72 0.00 -1.26 -1.49 118.16 125.32 2k46 n LYS 113 Ca 0.08 -4.50 0.00 0.00 -0.00 0.00 0.00 58.31 53.89 2k46 n LYS 113 Cb 0.35 -2.49 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 2k46 n LYS 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k46 n ASP 114 N 2.16 0.00 -4.56 -5.58 5.68 0.11 -4.94 116.55 109.43 2k46 n ASP 114 Ca 0.24 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.27 2k46 n ASP 114 Cb 0.37 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.30 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2k46 s LEU 115 N 0.00 3.14 -1.00 -2.12 0.20 -0.44 -4.49 118.68 113.98 2k46 s LEU 115 Ca 0.00 0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.81 2k46 s LEU 115 Cb 0.00 -2.54 0.25 0.00 -0.43 0.00 0.00 46.19 43.47 2k46 s LEU 115 CO 0.00 -3.04 0.94 -1.81 -0.29 0.00 0.00 176.35 172.15 2k46 s ASP 116 N 9.65 6.71 0.35 3.68 1.11 -1.26 -2.08 116.67 134.83 2k46 s ASP 116 Ca 0.81 -3.58 0.11 0.00 0.18 0.00 0.00 52.55 50.08 2k46 s ASP 116 Cb -0.12 -2.08 0.91 0.00 1.07 0.00 0.00 42.92 42.70 2k46 s ASP 116 CO 0.11 -0.26 1.78 0.40 1.18 0.00 0.00 175.17 178.38 2k46 h ILE 117 N 3.93 0.63 -0.20 0.77 2.04 -1.88 -0.72 117.51 122.08 2k46 h ILE 117 Ca 0.16 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 2k46 h ILE 117 Cb 0.86 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2k46 h ILE 117 CO 0.93 0.11 -0.35 0.15 0.00 0.00 0.00 178.15 178.99 2k46 h PHE 118 N 0.59 0.73 0.00 1.37 3.57 -1.87 -2.81 116.94 118.52 2k46 h PHE 118 Ca 0.58 -0.26 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2k46 h PHE 118 Cb 1.15 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2k46 h PHE 118 CO -0.00 0.99 -0.23 0.22 -2.23 0.00 0.00 178.31 177.07 2k46 h ASP 119 N 0.26 0.00 0.34 0.41 1.82 -1.40 0.37 116.42 118.23 2k46 h ASP 119 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2k46 h ASP 119 Cb 0.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 2k46 h ASP 119 CO 0.08 0.23 -0.16 0.03 -1.61 0.00 0.00 179.24 177.80 2k46 h ARG 120 N 0.00 -0.44 0.05 0.28 2.47 -1.09 -3.40 114.38 112.24 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 0.48 0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.85 2k46 h ARG 120 CO 0.03 -0.21 -2.29 1.33 0.56 0.00 0.00 179.97 179.39 2k46 n VAL 121 N -5.09 1.60 0.00 2.04 0.24 -1.07 -5.06 118.33 110.99 2k46 n VAL 121 Ca -0.07 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2k46 n VAL 121 Cb 0.22 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 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 2.13 0.89 3.76 7.63 0.00 0.13 -4.98 105.19 114.74 2k46 n GLY 122 Ca -0.41 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 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 2.46 -0.69 1.61 5.65 -1.26 -4.80 115.29 118.25 2k46 s HIS 123 Ca 0.00 1.58 -0.25 0.00 0.25 0.00 0.00 55.06 56.64 2k46 s HIS 123 Cb 0.00 -3.10 -0.13 0.00 -1.18 0.00 0.00 32.58 28.17 2k46 s HIS 123 CO 0.00 -1.92 2.42 -1.13 -0.65 0.00 0.00 174.74 173.46 2k46 n SER 124 N -3.49 1.71 0.00 9.88 3.41 -1.26 -4.77 113.62 119.09 2k46 n SER 124 Ca 0.10 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2k46 n SER 124 Cb 0.53 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 8.18 0.00 -4.73 6.66 -2.24 -1.26 -4.32 114.28 116.57 2k46 n THR 125 Ca 0.45 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.90 2k46 n THR 125 Cb 0.43 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.96 2.74 0.09 6.98 0.00 -1.26 -4.71 121.76 123.63 2k46 s ALA 126 Ca 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2k46 s ALA 126 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2k46 s ALA 126 CO 0.00 0.37 -0.07 -1.58 0.00 0.00 0.00 175.76 174.48 2k46 s HIS 127 N -0.08 2.83 -0.04 0.00 2.46 -0.75 -4.94 115.29 114.77 2k46 s HIS 127 Ca -0.01 -0.11 -0.02 0.00 0.47 0.00 0.00 55.06 55.40 2k46 s HIS 127 Cb -0.14 -1.48 0.03 0.00 -0.13 0.00 0.00 32.58 30.86 2k46 s HIS 127 CO 0.03 0.43 0.08 0.34 -2.47 0.00 0.00 174.74 173.16 2k46 s ASP 128 N -2.15 -0.03 -0.18 9.88 2.15 -1.26 -1.87 116.67 123.22 2k46 s ASP 128 Ca 0.22 0.16 -0.00 0.00 0.43 0.00 0.00 52.55 53.36 2k46 s ASP 128 Cb -0.11 0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.62 2k46 s ASP 128 CO 0.14 -0.12 -0.05 -1.61 -0.17 0.00 0.00 175.17 173.37 2k46 s GLU 129 N 0.90 1.42 -0.18 4.34 0.41 -0.85 -5.01 118.70 119.73 2k46 s GLU 129 Ca -0.07 -0.57 -0.08 0.00 -0.41 0.00 0.00 54.97 53.84 2k46 s GLU 129 Cb -0.10 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.13 2k46 s GLU 129 CO -0.04 -0.46 0.07 0.42 -0.49 0.00 0.00 175.26 174.76 2k46 s ILE 130 N 1.62 4.88 -0.45 -1.63 1.01 -1.26 -2.71 121.20 122.66 2k46 s ILE 130 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2k46 s ILE 130 Cb -0.16 -3.20 0.14 0.00 0.01 0.00 0.00 42.46 39.25 2k46 s ILE 130 CO -0.08 0.46 0.25 -0.63 0.00 0.00 0.00 174.94 174.94 2k46 s ILE 131 N 0.36 1.45 0.62 2.92 1.01 -1.05 -5.02 121.20 121.49 2k46 s ILE 131 Ca 0.04 -2.61 -0.18 0.00 0.00 0.00 0.00 60.65 57.90 2k46 s ILE 131 Cb -0.12 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2k46 s ILE 131 CO -0.00 -0.90 1.22 -2.84 0.00 0.00 0.00 174.94 172.42 2k46 s PRO 132 N 0.30 2.80 0.04 2.79 0.02 -1.26 -2.76 135.00 136.92 2k46 s PRO 132 Ca 0.18 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 2k46 s PRO 132 Cb -0.23 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 2k46 s PRO 132 CO -0.00 -1.35 -0.01 0.42 -0.33 0.00 0.00 177.00 175.72 2k46 s ILE 133 N -1.61 0.18 -0.24 2.83 1.01 0.50 -4.30 121.20 119.57 2k46 s ILE 133 Ca 0.78 -1.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 2k46 s ILE 133 Cb -0.31 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.06 2k46 s ILE 133 CO 0.36 -0.84 0.05 -0.94 0.00 0.00 0.00 174.94 173.57 2k46 s SER 134 N -2.52 3.35 -0.20 3.58 1.04 -1.07 -1.54 113.70 116.34 2k46 s SER 134 Ca 0.01 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.25 2k46 s SER 134 Cb 0.03 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.42 2k46 s SER 134 CO -0.08 -0.34 0.05 -0.63 0.98 0.00 0.00 173.24 173.22 2k46 s ILE 135 N 1.77 4.46 -0.08 -1.02 1.01 -0.72 -1.91 121.20 124.73 2k46 s ILE 135 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2k46 s ILE 135 Cb -0.17 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.30 2k46 s ILE 135 CO -0.15 0.42 0.29 -0.54 0.00 0.00 0.00 174.94 174.96 2k46 s LYS 136 N 0.80 0.45 -0.77 2.79 1.02 -0.79 -2.08 119.74 121.16 2k46 s LYS 136 Ca 0.03 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.20 2k46 s LYS 136 Cb -0.14 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2k46 s LYS 136 CO 0.02 -0.09 0.00 1.63 -0.92 0.00 0.00 175.35 176.00 2k46 n LYS 137 N 2.34 -1.77 -0.53 1.68 5.02 -1.26 -0.81 118.16 122.83 2k46 n LYS 137 Ca -0.16 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 2k46 n LYS 137 Cb 0.57 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 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 0.41 0.97 3.36 0.72 0.00 -1.26 -5.09 105.19 104.29 2k46 n GLY 138 Ca -0.07 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.27 1.36 -0.14 1.61 -0.14 0.01 -3.15 119.74 118.02 2k46 s LYS 139 Ca 0.00 -1.47 -0.01 0.00 -1.36 0.00 0.00 55.97 53.14 2k46 s LYS 139 Cb 0.00 -1.47 -0.02 0.00 -1.68 0.00 0.00 37.83 34.66 2k46 s LYS 139 CO 0.00 0.30 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.60 2k46 s LEU 140 N -2.75 2.78 -0.28 3.17 0.20 0.56 -1.89 118.68 120.47 2k46 s LEU 140 Ca 0.18 -0.31 -0.00 0.00 0.69 0.00 0.00 54.13 54.69 2k46 s LEU 140 Cb -0.06 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 44.12 2k46 s LEU 140 CO 0.08 0.16 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.70 2k46 s SER 141 N 0.41 4.73 -0.45 3.68 0.15 -0.80 -1.00 113.70 120.41 2k46 s SER 141 Ca -0.09 -1.32 -0.13 0.00 0.70 0.00 0.00 55.95 55.12 2k46 s SER 141 Cb -0.16 -1.65 0.08 0.00 -1.71 0.00 0.00 66.02 62.58 2k46 s SER 141 CO 0.05 -0.23 0.34 0.54 1.20 0.00 0.00 173.24 175.14 2k46 s VAL 142 N 1.20 4.77 0.00 4.45 0.11 -0.30 -2.59 120.40 128.03 2k46 s VAL 142 Ca -0.07 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2k46 s VAL 142 Cb -0.20 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 2k46 s VAL 142 CO -0.03 -0.57 0.00 0.00 -3.33 0.00 0.00 175.10 171.17 2k46 n GLN 143 N 5.07 0.00 -0.33 1.54 3.00 -1.26 -1.07 117.38 124.34 2k46 n GLN 143 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2k46 n GLN 143 Cb 0.43 0.00 0.11 0.00 0.00 0.00 0.00 30.24 30.78 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 3.64 3.10 1.08 0.00 -1.26 -5.03 105.19 106.72 2k46 n GLY 144 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.06 1.51 -0.12 1.61 2.12 -0.23 -5.14 118.70 116.39 2k46 s GLU 145 Ca 0.25 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 2k46 s GLU 145 Cb 0.23 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.24 2k46 s GLU 145 CO -0.00 0.23 0.04 0.54 -0.54 0.00 0.00 175.26 175.52 2k46 s VAL 146 N 0.02 4.60 0.33 3.70 0.11 -1.26 -1.15 120.40 126.75 2k46 s VAL 146 Ca -0.02 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 2k46 s VAL 146 Cb -0.10 -2.98 0.03 0.00 -1.53 0.00 0.00 36.38 31.79 2k46 s VAL 146 CO 0.01 0.57 0.65 -0.44 -3.33 0.00 0.00 175.10 172.56 2k46 s SER 147 N -0.53 0.13 -0.09 3.54 0.01 -0.17 -5.02 113.70 111.57 2k46 s SER 147 Ca 0.10 -1.07 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 2k46 s SER 147 Cb -0.12 0.74 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 2k46 s SER 147 CO 0.02 -1.44 0.15 0.28 0.41 0.00 0.00 173.24 172.66 2k46 s THR 148 N -3.11 5.44 0.02 1.44 -1.32 -1.26 -0.32 115.64 116.53 2k46 s THR 148 Ca 0.19 0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 2k46 s THR 148 Cb -0.03 -3.42 -0.04 0.00 -1.51 0.00 0.00 72.50 67.50 2k46 s THR 148 CO 0.12 0.53 1.07 0.12 -2.21 0.00 0.00 174.62 174.25 2k46 s PHE 149 N -1.11 3.57 -0.39 9.09 5.36 -1.19 -4.61 117.98 128.69 2k46 s PHE 149 Ca 0.18 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.71 2k46 s PHE 149 Cb -0.12 -3.24 0.12 0.00 -0.34 0.00 0.00 43.02 39.43 2k46 s PHE 149 CO 0.08 -0.53 0.16 0.95 -1.46 0.00 0.00 175.22 174.43 2k46 s THR 150 N 1.03 1.64 0.00 0.12 -4.23 -1.26 -4.88 115.64 108.06 2k46 s THR 150 Ca 0.55 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2k46 s THR 150 Cb -0.24 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2k46 s THR 150 CO 0.28 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 2k46 n GLY 151 N 3.99 0.75 3.52 3.99 0.00 -1.26 -4.80 105.19 111.39 2k46 n GLY 151 Ca 0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2k46 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k46 s LYS 152 N 0.00 1.38 -0.13 1.61 0.00 -1.26 -3.10 119.74 118.24 2k46 s LYS 152 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 55.97 54.93 2k46 s LYS 152 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 37.83 38.33 2k46 s LYS 152 CO 0.00 -0.59 0.64 -1.17 0.00 0.00 0.00 175.35 174.23 2k46 s LEU 153 N -2.86 4.23 -0.28 2.77 0.20 0.54 -4.81 118.68 118.47 2k46 s LEU 153 Ca 0.08 0.98 -0.03 0.00 0.69 0.00 0.00 54.13 55.86 2k46 s LEU 153 Cb -0.01 -2.95 0.03 0.00 -0.43 0.00 0.00 46.19 42.83 2k46 s LEU 153 CO -0.04 -0.17 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.30 2k46 s SER 154 N 0.94 4.73 -0.46 3.68 0.15 -1.26 -0.44 113.70 121.04 2k46 s SER 154 Ca 0.32 -1.00 -0.12 0.00 0.70 0.00 0.00 55.95 55.84 2k46 s SER 154 Cb -0.16 -1.73 0.09 0.00 -1.71 0.00 0.00 66.02 62.50 2k46 s SER 154 CO 0.13 -0.20 0.35 -0.69 1.20 0.00 0.00 173.24 174.03 2k46 s VAL 155 N 1.34 4.74 0.18 4.45 1.01 -1.08 0.43 120.40 131.46 2k46 s VAL 155 Ca -0.01 -1.31 0.09 0.00 0.00 0.00 0.00 61.98 60.74 2k46 s VAL 155 Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2k46 s VAL 155 CO -0.02 -0.60 -0.17 -1.61 0.00 0.00 0.00 175.10 172.70 2k46 s GLU 156 N 1.53 1.32 0.02 2.72 0.41 -0.99 -2.36 118.70 121.34 2k46 s GLU 156 Ca 0.04 -1.49 0.01 0.00 -0.41 0.00 0.00 54.97 53.12 2k46 s GLU 156 Cb -0.25 -1.30 -0.01 0.00 -1.78 0.00 0.00 34.13 30.79 2k46 s GLU 156 CO 0.04 0.25 -0.04 -0.59 -0.49 0.00 0.00 175.26 174.43 2k46 s PHE 157 N -2.35 0.37 0.02 1.61 -0.12 -1.05 -1.50 117.98 114.96 2k46 s PHE 157 Ca 0.19 -0.29 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 2k46 s PHE 157 Cb -0.04 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 2k46 s PHE 157 CO 0.07 -0.07 -0.16 0.08 -0.05 0.00 0.00 175.22 175.09 2k46 s VAL 158 N -0.77 2.91 0.36 -2.49 1.01 -0.97 -2.70 120.40 117.76 2k46 s VAL 158 Ca -0.06 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 2k46 s VAL 158 Cb -0.06 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 2k46 s VAL 158 CO -0.00 0.40 1.04 -1.59 0.00 0.00 0.00 175.10 174.95 2k46 s LYS 159 N -1.28 4.33 -0.13 2.72 -2.85 -1.26 -2.56 119.74 118.71 2k46 s LYS 159 Ca 0.14 1.53 0.12 0.00 -1.00 0.00 0.00 55.97 56.76 2k46 s LYS 159 Cb -0.11 -2.71 -0.24 0.00 -2.06 0.00 0.00 37.83 32.72 2k46 s LYS 159 CO 0.04 -0.00 0.34 0.41 0.10 0.00 0.00 175.35 176.25 2k46 n GLY 160 N 0.54 -0.91 2.03 0.59 0.00 -1.25 -4.89 105.19 101.31 2k46 n GLY 160 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.99 -2.25 -3.61 1.61 4.01 -1.26 -5.00 117.16 107.67 2k46 n TYR 161 Ca -0.27 0.48 -0.07 0.00 -0.16 0.00 0.00 57.90 57.88 2k46 n TYR 161 Cb 1.09 1.00 -0.05 0.00 -0.31 0.00 0.00 39.34 41.07 2k46 n TYR 161 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2k46 s TYR 162 N -2.00 -0.26 -0.51 -0.72 -0.85 -1.26 -5.05 117.35 106.70 2k46 s TYR 162 Ca 0.00 0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 57.02 2k46 s TYR 162 Cb 0.00 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.80 2k46 s TYR 162 CO 0.00 -0.21 0.50 -0.25 -1.52 0.00 0.00 175.55 174.07 2k46 n ASP 163 N 0.90 -6.25 -4.23 -0.18 8.00 -1.26 -4.99 116.55 108.53 2k46 n ASP 163 Ca -0.08 0.02 -0.33 0.00 0.71 0.00 0.00 54.79 55.11 2k46 n ASP 163 Cb 0.58 -4.16 0.15 0.00 -0.02 0.00 0.00 41.12 37.67 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k46 n ASN 164 N -1.38 -2.48 -3.69 -2.24 4.13 -1.26 -4.55 115.26 103.79 2k46 n ASN 164 Ca 0.01 -0.10 -0.52 0.00 1.68 0.00 0.00 54.58 55.65 2k46 n ASN 164 Cb 0.48 -0.89 -0.10 0.00 -1.54 0.00 0.00 39.78 37.73 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2k46 n PRO 165 N -1.38 0.00 0.03 3.52 -0.02 -1.26 -4.86 135.00 131.04 2k46 n PRO 165 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2k46 n PRO 165 Cb 0.64 -1.29 -0.01 0.00 -0.02 0.00 0.00 33.50 32.83 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 7.53 -0.08 -6.07 -0.52 1.63 -1.80 -3.44 116.57 113.83 2k46 h LYS 166 Ca -0.10 0.01 -0.56 0.00 -0.85 0.00 0.00 60.65 59.14 2k46 h LYS 166 Cb 1.22 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.81 2k46 h LYS 166 CO 0.93 -0.05 0.06 0.08 -3.45 0.00 0.00 179.45 177.02 2k46 s VAL 167 N -2.75 4.97 -0.05 2.00 1.01 -0.90 -3.92 120.40 120.74 2k46 s VAL 167 Ca -0.01 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 2k46 s VAL 167 Cb 0.00 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2k46 s VAL 167 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2k46 n ALA 169 N 4.81 5.10 -1.68 0.00 0.00 -0.60 -0.04 120.51 128.11 2k46 n ALA 169 Ca -0.13 -3.80 -0.46 0.00 0.00 0.00 0.00 53.44 49.06 2k46 n ALA 169 Cb 0.50 -0.41 -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 -0.71 3.26 -3.64 0.00 7.94 -0.22 -3.08 117.00 120.55 2k46 n LEU 170 Ca 0.45 1.07 -0.24 0.00 -1.11 0.00 0.00 56.01 56.18 2k46 n LEU 170 Cb 0.94 -1.45 -0.17 0.00 0.53 0.00 0.00 43.42 43.27 2k46 n LEU 170 CO 0.42 -0.20 -0.33 0.12 -1.11 0.00 0.00 177.39 176.29 2k46 s PHE 171 N 1.22 0.15 -0.17 1.96 5.36 -0.46 -0.17 117.98 125.87 2k46 s PHE 171 Ca 0.79 -0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.65 2k46 s PHE 171 Cb -0.65 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 2k46 s PHE 171 CO 0.38 -0.38 -0.06 -1.50 -1.46 0.00 0.00 175.22 172.20 2k46 s ILE 172 N 2.15 3.51 0.34 3.12 -1.16 -0.36 -0.88 121.20 127.92 2k46 s ILE 172 Ca 0.03 -0.48 0.08 0.00 -0.51 0.00 0.00 60.65 59.78 2k46 s ILE 172 Cb -0.14 -2.54 -0.07 0.00 0.61 0.00 0.00 42.46 40.32 2k46 s ILE 172 CO -0.07 0.48 -0.06 0.00 -2.81 0.00 0.00 174.94 172.48 2k46 s MET 173 N 0.72 1.78 0.02 3.50 0.00 -1.09 -2.79 119.30 121.44 2k46 s MET 173 Ca -0.03 -1.93 0.09 0.00 0.00 0.00 0.00 55.69 53.82 2k46 s MET 173 Cb -0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 34.83 33.12 2k46 s MET 173 CO 0.02 0.07 -0.26 -1.59 0.00 0.00 0.00 175.02 173.27 2k46 s LYS 174 N -3.66 1.87 0.00 3.16 -2.85 -0.91 -2.53 119.74 114.81 2k46 s LYS 174 Ca 0.32 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2k46 s LYS 174 Cb 0.04 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2k46 s LYS 174 CO 0.16 0.52 0.00 0.41 0.10 0.00 0.00 175.35 176.54 2k46 n GLY 175 N 2.01 2.83 0.00 0.59 0.00 0.11 -4.77 105.19 105.96 2k46 n GLY 175 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.04 2.61 -2.24 0.29 -2.84 114.28 112.14 2k46 n THR 176 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2k46 n THR 176 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.63 -0.07 6.98 0.00 -1.95 -3.33 119.26 121.51 2k46 h ALA 177 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 54.91 53.94 2k46 h ALA 177 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k46 h ALA 177 CO 0.00 1.16 0.05 0.22 0.00 0.00 0.00 179.25 180.68 2k46 h ASP 178 N 0.00 0.00 -0.29 0.00 1.82 -1.99 -2.26 116.42 113.70 2k46 h ASP 178 Ca -0.14 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 2k46 h ASP 178 Cb 1.73 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.69 2k46 h ASP 178 CO 0.08 0.00 -0.03 -0.78 -1.61 0.00 0.00 179.24 176.90 2k46 h ASP 179 N 0.00 -0.18 0.00 2.28 1.82 -1.98 -3.41 116.42 114.95 2k46 h ASP 179 Ca 0.03 0.07 -0.48 0.00 -0.39 0.00 0.00 57.03 56.27 2k46 h ASP 179 Cb 0.14 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.21 2k46 h ASP 179 CO -0.00 -0.06 1.63 0.52 -1.61 0.00 0.00 179.24 179.73 2k46 n VAL 180 N -5.20 0.00 -1.57 2.25 0.31 -0.85 -4.75 118.33 108.52 2k46 n VAL 180 Ca -0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 64.34 63.80 2k46 n VAL 180 Cb 0.16 -0.47 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 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 7.92 1.27 -4.19 5.55 -0.02 -1.26 -4.96 135.00 139.31 2k46 n PRO 181 Ca 0.61 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 62.21 2k46 n PRO 181 Cb 0.03 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.06 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 4.98 2.47 -0.21 -0.52 -1.94 -1.26 -5.05 119.30 117.77 2k46 s MET 182 Ca 1.03 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 54.05 2k46 s MET 182 Cb -0.91 -2.49 0.07 0.00 2.01 0.00 0.00 34.83 33.50 2k46 s MET 182 CO 0.55 0.54 0.50 -0.48 -0.01 0.00 0.00 175.02 176.13 2k46 s LEU 183 N -2.15 -0.41 0.57 -0.03 2.34 -1.26 -4.03 118.68 113.71 2k46 s LEU 183 Ca 0.24 1.10 -0.20 0.00 0.06 0.00 0.00 54.13 55.32 2k46 s LEU 183 Cb -0.11 1.67 -0.04 0.00 -0.56 0.00 0.00 46.19 47.15 2k46 s LEU 183 CO 0.16 -0.21 1.29 -1.10 -1.06 0.00 0.00 176.35 175.42 2k46 s GLN 184 N 1.61 3.05 0.13 1.48 -0.21 -1.26 -4.91 119.66 119.54 2k46 s GLN 184 Ca -0.09 2.04 -0.31 0.00 0.02 0.00 0.00 55.36 57.02 2k46 s GLN 184 Cb -0.08 -2.11 -0.10 0.00 1.00 0.00 0.00 33.01 31.73 2k46 s GLN 184 CO -0.15 -1.21 1.68 -1.25 -2.12 0.00 0.00 175.29 172.24 2k46 s PRO 185 N -3.09 4.18 -0.06 2.91 0.04 -1.26 -5.01 135.00 132.72 2k46 s PRO 185 Ca 0.74 2.43 0.02 0.00 0.04 0.00 0.00 61.00 64.24 2k46 s PRO 185 Cb -0.36 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.80 2k46 s PRO 185 CO 0.41 -0.72 -0.09 -1.58 0.04 0.00 0.00 177.00 175.05 2k46 s HIS 186 N 2.04 1.20 0.03 0.56 2.46 -1.26 -5.04 115.29 115.28 2k46 s HIS 186 Ca 0.74 -0.43 0.04 0.00 0.47 0.00 0.00 55.06 55.89 2k46 s HIS 186 Cb -0.44 -0.93 -0.24 0.00 -0.13 0.00 0.00 32.58 30.84 2k46 s HIS 186 CO 0.33 -0.25 0.93 -1.00 -2.47 0.00 0.00 174.74 172.28 2k46 h PRO 187 N 7.08 0.11 0.00 2.88 0.13 -2.06 -3.50 132.00 136.65 2k46 h PRO 187 Ca -0.33 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2k46 h PRO 187 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k46 h PRO 187 CO 0.47 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 179.58 2k46 n GLY 188 N 1.55 3.47 3.49 1.56 0.00 -1.26 -5.16 105.19 108.83 2k46 n GLY 188 Ca -0.12 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 2k46 n GLY 188 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k46 s LEU 189 N 0.00 2.68 0.00 0.99 2.34 -1.26 -5.31 118.68 118.12 2k46 s LEU 189 Ca 0.00 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.50 2k46 s LEU 189 Cb 0.00 -1.43 0.00 0.00 -0.56 0.00 0.00 46.19 44.20 2k46 s LEU 189 CO 0.00 0.13 0.32 1.21 -1.06 0.00 0.00 176.35 176.95