#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k62 n PHE 2 N 0.00 1.05 -1.94 0.00 3.72 -1.26 -4.95 117.46 114.08 2k62 n PHE 2 Ca 0.00 -0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 56.50 2k62 n PHE 2 Cb 0.00 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 2k62 n PHE 2 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k62 s SER 3 N -0.95 6.61 0.00 4.37 0.01 -1.26 -4.89 113.70 117.59 2k62 s SER 3 Ca 0.45 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.24 2k62 s SER 3 Cb 0.26 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2k62 s SER 3 CO 0.28 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2k62 n GLY 4 N 3.87 -1.00 3.11 3.44 0.00 -1.18 -4.99 105.19 108.45 2k62 n GLY 4 Ca 0.15 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2k62 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k62 s THR 5 N -3.00 2.79 0.12 2.61 2.01 -1.26 -1.87 115.64 117.04 2k62 s THR 5 Ca 0.00 -1.78 0.05 0.00 0.31 0.00 0.00 61.69 60.27 2k62 s THR 5 Cb 0.00 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2k62 s THR 5 CO 0.00 -0.33 0.03 0.26 -0.69 0.00 0.00 174.62 173.89 2k62 s TRP 6 N 1.13 3.01 -0.15 4.92 0.52 -0.30 -3.38 118.94 124.70 2k62 s TRP 6 Ca 0.01 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.11 2k62 s TRP 6 Cb -0.20 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 2k62 s TRP 6 CO -0.04 0.50 -0.19 -1.14 0.02 0.00 0.00 176.95 176.10 2k62 s GLN 7 N -2.58 2.78 0.22 4.98 2.00 -0.12 -0.23 119.66 126.70 2k62 s GLN 7 Ca 0.27 -0.76 -0.18 0.00 -2.00 0.00 0.00 55.36 52.70 2k62 s GLN 7 Cb -0.11 -2.33 -0.08 0.00 0.80 0.00 0.00 33.01 31.29 2k62 s GLN 7 CO 0.20 -0.10 0.69 0.14 -0.50 0.00 0.00 175.29 175.72 2k62 s VAL 8 N 1.05 4.64 -0.40 1.34 -7.23 -1.25 -1.84 120.40 116.71 2k62 s VAL 8 Ca -0.02 1.14 0.09 0.00 -1.81 0.00 0.00 61.98 61.39 2k62 s VAL 8 Cb -0.14 -3.80 0.38 0.00 0.56 0.00 0.00 36.38 33.38 2k62 s VAL 8 CO -0.06 0.16 1.26 0.00 -0.31 0.00 0.00 175.10 176.15 2k62 n TYR 9 N 0.59 -2.11 -4.58 2.82 4.11 -1.12 -4.81 117.16 112.05 2k62 n TYR 9 Ca -0.02 -2.10 -0.23 0.00 -0.00 0.00 0.00 57.90 55.55 2k62 n TYR 9 Cb 0.51 1.36 -0.14 0.00 -0.00 0.00 0.00 39.34 41.07 2k62 n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k62 s ALA 10 N -0.19 1.39 -0.08 -3.48 0.00 -1.26 -4.95 121.76 113.19 2k62 s ALA 10 Ca 0.23 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.46 2k62 s ALA 10 Cb 0.38 -0.28 0.17 0.00 0.00 0.00 0.00 23.12 23.39 2k62 s ALA 10 CO -0.07 0.31 1.06 0.94 0.00 0.00 0.00 175.76 178.00 2k62 n GLN 11 N 2.18 1.15 -1.98 0.00 7.27 -1.26 -4.95 117.38 119.79 2k62 n GLN 11 Ca -0.16 -1.98 -0.43 0.00 0.07 0.00 0.00 57.00 54.50 2k62 n GLN 11 Cb 0.54 -1.16 -0.03 0.00 2.41 0.00 0.00 30.24 32.01 2k62 n GLN 11 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k62 s GLU 12 N -1.84 3.53 -1.58 3.69 0.41 -1.26 -2.20 118.70 119.45 2k62 s GLU 12 Ca 0.19 1.65 0.00 0.00 -0.41 0.00 0.00 54.97 56.40 2k62 s GLU 12 Cb 0.17 -4.16 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 2k62 s GLU 12 CO 0.02 -1.63 0.00 0.09 -0.49 0.00 0.00 175.26 173.25 2k62 n ASN 13 N 9.61 -4.80 0.45 -0.19 3.02 -1.26 -4.36 115.26 117.73 2k62 n ASN 13 Ca 0.22 0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 54.92 2k62 n ASN 13 Cb 0.46 -3.68 -0.08 0.00 -0.61 0.00 0.00 39.78 35.86 2k62 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2k62 h TYR 14 N 0.00 -1.05 0.00 3.10 3.20 -1.81 -2.42 116.97 117.99 2k62 h TYR 14 Ca -0.32 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 2k62 h TYR 14 Cb 1.03 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 2k62 h TYR 14 CO 0.42 -0.66 -0.05 1.05 -1.64 0.00 0.00 178.16 177.29 2k62 h GLU 15 N -1.16 0.00 0.33 1.82 4.11 -1.92 -1.96 114.58 115.81 2k62 h GLU 15 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2k62 h GLU 15 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k62 h GLU 15 CO 0.19 0.05 -0.16 0.93 0.07 0.00 0.00 179.01 180.09 2k62 h GLU 16 N 0.00 -0.43 -0.03 1.06 4.39 -1.88 -0.90 114.58 116.80 2k62 h GLU 16 Ca -0.00 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2k62 h GLU 16 Cb 0.17 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2k62 h GLU 16 CO 0.01 -0.21 -0.63 0.27 -1.16 0.00 0.00 179.01 177.29 2k62 h PHE 17 N -0.57 0.13 -0.03 4.33 -5.15 -1.21 -3.20 116.94 111.23 2k62 h PHE 17 Ca -0.05 -0.05 0.02 0.00 -0.20 0.00 0.00 57.97 57.69 2k62 h PHE 17 Cb 0.42 -0.02 -0.02 0.00 0.22 0.00 0.00 35.95 36.55 2k62 h PHE 17 CO -0.02 0.70 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.85 2k62 h LEU 18 N 0.07 -0.19 0.00 2.10 3.38 -1.21 -1.54 115.31 117.93 2k62 h LEU 18 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k62 h LEU 18 Cb 1.12 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k62 h LEU 18 CO 0.09 -0.09 0.01 1.17 0.09 0.00 0.00 178.44 179.71 2k62 n LYS 19 N -5.18 0.00 -0.01 1.13 3.00 -0.36 -0.68 118.16 116.06 2k62 n LYS 19 Ca -0.06 0.49 0.10 0.00 -0.00 0.00 0.00 58.31 58.85 2k62 n LYS 19 Cb 0.11 -1.51 0.09 0.00 0.00 0.00 0.00 35.03 33.72 2k62 n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k62 n ALA 20 N -1.49 2.46 -3.54 3.14 0.00 -0.59 -4.78 120.51 115.72 2k62 n ALA 20 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 2k62 n ALA 20 Cb 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 2k62 n ALA 20 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k62 s LEU 21 N -1.72 -0.86 -0.82 0.00 0.05 0.14 -4.86 118.68 110.61 2k62 s LEU 21 Ca 0.25 1.00 0.00 0.00 0.05 0.00 0.00 54.13 55.42 2k62 s LEU 21 Cb 0.17 1.65 0.00 0.00 -2.05 0.00 0.00 46.19 45.97 2k62 s LEU 21 CO 0.26 -0.24 0.00 0.00 -0.55 0.00 0.00 176.35 175.82 2k62 n ALA 22 N 5.41 -0.41 -2.53 1.48 0.00 -1.26 -4.82 120.51 118.37 2k62 n ALA 22 Ca -0.08 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2k62 n ALA 22 Cb 0.50 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 2k62 n ALA 22 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k62 s LEU 23 N -4.02 4.54 -0.03 0.00 2.96 -1.24 -4.86 118.68 116.04 2k62 s LEU 23 Ca 0.00 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2k62 s LEU 23 Cb 0.00 -2.47 0.27 0.00 0.50 0.00 0.00 46.19 44.49 2k62 s LEU 23 CO 0.00 -0.50 1.14 -0.81 -1.32 0.00 0.00 176.35 174.86 2k62 n PRO 24 N 5.65 1.91 0.00 0.98 -0.04 -1.26 -4.88 135.00 137.37 2k62 n PRO 24 Ca -0.06 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2k62 n PRO 24 Cb 0.48 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2k62 n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k62 n GLU 25 N 0.30 0.00 0.08 0.54 1.02 -1.26 -4.72 120.64 116.60 2k62 n GLU 25 Ca 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 2k62 n GLU 25 Cb 0.35 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 32.04 2k62 n GLU 25 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k62 h ASP 26 N 0.00 0.31 0.00 1.62 3.58 -1.98 -2.81 116.42 117.15 2k62 h ASP 26 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k62 h ASP 26 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2k62 h ASP 26 CO 0.00 0.59 0.00 0.18 -2.88 0.00 0.00 179.24 177.13 2k62 n LEU 27 N -4.12 0.00 -0.03 2.28 4.77 -1.26 -3.33 117.00 115.30 2k62 n LEU 27 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2k62 n LEU 27 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2k62 n LEU 27 CO 0.41 0.00 0.89 0.40 -1.33 0.00 0.00 177.39 177.75 2k62 h ILE 28 N 0.00 1.10 0.00 -0.08 2.04 -1.90 -0.19 117.51 118.48 2k62 h ILE 28 Ca 0.00 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2k62 h ILE 28 Cb 0.00 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2k62 h ILE 28 CO 0.00 0.10 -0.34 0.11 0.00 0.00 0.00 178.15 178.02 2k62 h LYS 29 N 0.15 0.00 0.14 2.37 6.56 -1.81 -2.99 116.57 120.98 2k62 h LYS 29 Ca 0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2k62 h LYS 29 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2k62 h LYS 29 CO -0.01 0.34 -0.07 1.98 -2.06 0.00 0.00 179.45 179.63 2k62 h MET 30 N 0.00 -0.18 -0.63 3.15 4.05 -1.60 -2.98 114.93 116.74 2k62 h MET 30 Ca -0.00 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2k62 h MET 30 Cb 0.95 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 2k62 h MET 30 CO 0.04 0.24 0.22 0.00 0.23 0.00 0.00 176.91 177.64 2k62 h ALA 31 N 0.05 0.82 0.00 0.39 0.00 -1.08 -1.50 119.26 117.94 2k62 h ALA 31 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k62 h ALA 31 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k62 h ALA 31 CO 0.03 0.47 -0.02 0.07 0.00 0.00 0.00 179.25 179.80 2k62 h ARG 32 N 0.89 0.00 0.00 0.00 0.11 -1.62 -2.46 114.38 111.29 2k62 h ARG 32 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 2k62 h ARG 32 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2k62 h ARG 32 CO -0.01 0.02 -1.05 -3.47 0.10 0.00 0.00 179.97 175.56 2k62 n ASP 33 N -3.14 0.76 0.22 0.08 2.03 -0.97 -4.39 116.55 111.14 2k62 n ASP 33 Ca -0.00 -0.66 -0.15 0.00 0.52 0.00 0.00 54.79 54.50 2k62 n ASP 33 Cb 0.27 0.98 -0.07 0.00 -0.72 0.00 0.00 41.12 41.58 2k62 n ASP 33 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k62 h ILE 34 N 0.00 0.48 -5.85 5.18 1.08 -0.78 -3.47 117.51 114.14 2k62 h ILE 34 Ca 0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 64.15 2k62 h ILE 34 Cb 0.59 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2k62 h ILE 34 CO 0.00 0.00 -0.79 2.29 -0.69 0.00 0.00 178.15 178.96 2k62 n LYS 35 N -5.38 -1.14 -1.35 2.37 2.85 -1.26 -4.87 118.16 109.39 2k62 n LYS 35 Ca -0.10 0.65 -0.29 0.00 -1.05 0.00 0.00 58.31 57.52 2k62 n LYS 35 Cb 0.28 -1.45 0.19 0.00 -0.65 0.00 0.00 35.03 33.40 2k62 n LYS 35 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k62 s PRO 36 N -3.25 0.05 -0.02 -1.58 0.04 -1.26 -4.88 135.00 124.10 2k62 s PRO 36 Ca 0.09 0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.21 2k62 s PRO 36 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2k62 s PRO 36 CO 0.61 -2.90 0.13 0.96 0.04 0.00 0.00 177.00 175.84 2k62 s ILE 37 N -3.21 5.07 -0.80 0.56 -4.36 -1.26 -3.89 121.20 113.31 2k62 s ILE 37 Ca 0.68 -0.26 -0.10 0.00 -0.26 0.00 0.00 60.65 60.72 2k62 s ILE 37 Cb -0.12 -3.33 0.21 0.00 1.25 0.00 0.00 42.46 40.47 2k62 s ILE 37 CO 0.55 0.36 0.71 -0.69 0.24 0.00 0.00 174.94 176.11 2k62 s VAL 38 N -1.23 5.03 -0.46 8.37 1.01 0.68 -4.48 120.40 129.33 2k62 s VAL 38 Ca 0.24 -2.81 -0.17 0.00 0.00 0.00 0.00 61.98 59.24 2k62 s VAL 38 Cb -0.12 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2k62 s VAL 38 CO 0.15 -1.01 0.44 -1.61 0.00 0.00 0.00 175.10 173.07 2k62 s GLU 39 N -0.16 3.04 -0.20 2.72 0.41 -1.24 -1.15 118.70 122.11 2k62 s GLU 39 Ca 0.20 -1.04 -0.06 0.00 -0.41 0.00 0.00 54.97 53.65 2k62 s GLU 39 Cb -0.13 -4.06 -0.03 0.00 -1.78 0.00 0.00 34.13 28.14 2k62 s GLU 39 CO -0.08 -0.97 0.03 0.42 -0.49 0.00 0.00 175.26 174.17 2k62 s ILE 40 N 1.99 4.29 0.03 -1.63 1.01 -0.78 -2.43 121.20 123.67 2k62 s ILE 40 Ca 0.09 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.61 2k62 s ILE 40 Cb -0.20 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 2k62 s ILE 40 CO 0.10 0.42 -0.21 -1.58 0.00 0.00 0.00 174.94 173.67 2k62 s GLN 41 N 0.89 1.51 -0.14 2.79 0.74 0.13 -3.10 119.66 122.48 2k62 s GLN 41 Ca 0.02 -0.89 0.02 0.00 0.05 0.00 0.00 55.36 54.56 2k62 s GLN 41 Cb -0.14 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.41 2k62 s GLN 41 CO 0.02 0.41 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.85 2k62 s GLN 42 N -0.97 2.63 -0.35 1.67 0.74 -1.26 0.27 119.66 122.38 2k62 s GLN 42 Ca 0.08 -0.70 0.08 0.00 0.05 0.00 0.00 55.36 54.86 2k62 s GLN 42 Cb -0.09 -2.22 0.65 0.00 1.10 0.00 0.00 33.01 32.46 2k62 s GLN 42 CO 0.01 -0.09 1.75 0.36 -0.55 0.00 0.00 175.29 176.76 2k62 n LYS 43 N 4.31 2.73 0.00 1.67 2.85 -0.60 -4.97 118.16 124.15 2k62 n LYS 43 Ca -0.19 -3.07 0.00 0.00 -1.05 0.00 0.00 58.31 54.00 2k62 n LYS 43 Cb 0.51 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 2k62 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k62 n GLY 44 N -0.75 1.93 0.13 2.58 0.00 -1.26 -4.43 105.19 103.38 2k62 n GLY 44 Ca 0.45 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2k62 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k62 n ASP 45 N 4.03 2.02 -4.84 1.61 5.75 -1.26 -4.94 116.55 118.93 2k62 n ASP 45 Ca 0.00 0.07 -0.37 0.00 -0.01 0.00 0.00 54.79 54.48 2k62 n ASP 45 Cb 0.00 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 39.38 2k62 n ASP 45 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2k62 s ASP 46 N -6.83 6.82 -0.26 -1.12 1.01 -1.26 -1.78 116.67 113.24 2k62 s ASP 46 Ca -0.30 0.98 -0.08 0.00 0.71 0.00 0.00 52.55 53.86 2k62 s ASP 46 Cb 0.09 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2k62 s ASP 46 CO 0.65 0.28 0.09 -0.36 0.21 0.00 0.00 175.17 176.05 2k62 s PHE 47 N -1.15 3.11 -0.26 4.23 0.40 0.31 -1.55 117.98 123.08 2k62 s PHE 47 Ca 0.26 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 2k62 s PHE 47 Cb -0.16 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 2k62 s PHE 47 CO 0.15 -0.37 0.18 0.08 0.70 0.00 0.00 175.22 175.96 2k62 s VAL 48 N 1.62 5.34 -0.10 -0.44 1.01 0.14 -1.92 120.40 126.04 2k62 s VAL 48 Ca 0.06 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2k62 s VAL 48 Cb -0.16 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2k62 s VAL 48 CO 0.05 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 2k62 s VAL 49 N 1.34 1.33 -0.12 2.92 1.01 0.17 0.19 120.40 127.25 2k62 s VAL 49 Ca 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2k62 s VAL 49 Cb -0.15 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2k62 s VAL 49 CO 0.07 0.41 -0.20 -0.89 0.00 0.00 0.00 175.10 174.49 2k62 s THR 50 N 1.12 2.41 -0.26 3.92 2.01 -1.02 -0.36 115.64 123.47 2k62 s THR 50 Ca -0.05 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2k62 s THR 50 Cb -0.14 -1.96 0.07 0.00 0.01 0.00 0.00 72.50 70.47 2k62 s THR 50 CO -0.03 0.54 -0.01 -0.44 -0.69 0.00 0.00 174.62 174.00 2k62 s SER 51 N 0.40 3.91 -0.12 3.53 0.01 -0.60 -3.66 113.70 117.17 2k62 s SER 51 Ca -0.15 -1.33 -0.05 0.00 1.31 0.00 0.00 55.95 55.73 2k62 s SER 51 Cb -0.17 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 2k62 s SER 51 CO 0.07 -0.29 0.05 -0.75 0.41 0.00 0.00 173.24 172.73 2k62 s LYS 52 N 1.41 3.39 0.10 12.44 2.20 -1.26 -2.77 119.74 135.26 2k62 s LYS 52 Ca -0.01 -0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.13 2k62 s LYS 52 Cb -0.18 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2k62 s LYS 52 CO -0.09 0.60 0.38 0.95 -0.36 0.00 0.00 175.35 176.82 2k62 s THR 53 N -0.57 0.08 -0.31 3.43 -4.23 -0.98 -4.38 115.64 108.68 2k62 s THR 53 Ca 0.11 -0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 2k62 s THR 53 Cb -0.12 -1.14 -0.13 0.00 1.34 0.00 0.00 72.50 72.45 2k62 s THR 53 CO 0.02 -0.34 2.38 -0.81 -0.54 0.00 0.00 174.62 175.33 2k62 n PRO 54 N -0.06 1.58 0.00 3.99 -0.04 -1.26 -2.83 135.00 136.37 2k62 n PRO 54 Ca -0.16 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2k62 n PRO 54 Cb 0.63 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2k62 n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k62 n ARG 55 N 3.13 0.00 -3.64 0.54 3.00 -1.26 -5.14 116.66 113.29 2k62 n ARG 55 Ca 0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.09 2k62 n ARG 55 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.88 2k62 n ARG 55 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2k62 s GLN 56 N -1.76 1.45 -0.00 -0.14 0.00 -1.13 -5.18 119.66 112.90 2k62 s GLN 56 Ca 0.00 -0.73 -0.04 0.00 -0.00 0.00 0.00 55.36 54.59 2k62 s GLN 56 Cb 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 33.01 33.58 2k62 s GLN 56 CO 0.00 -0.64 0.08 0.99 0.00 0.00 0.00 175.29 175.72 2k62 s THR 57 N -3.83 0.07 0.09 3.63 2.01 -1.26 -2.31 115.64 114.04 2k62 s THR 57 Ca 0.06 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 2k62 s THR 57 Cb -0.02 -0.31 0.07 0.00 0.01 0.00 0.00 72.50 72.24 2k62 s THR 57 CO -0.05 -0.33 0.63 0.54 -0.69 0.00 0.00 174.62 174.73 2k62 s VAL 58 N -1.08 0.00 0.03 3.82 0.11 -1.11 -4.90 120.40 117.27 2k62 s VAL 58 Ca -0.12 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2k62 s VAL 58 Cb -0.07 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2k62 s VAL 58 CO 0.00 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.74 2k62 s THR 59 N -2.93 1.12 0.00 5.04 2.01 -1.26 -1.57 115.64 118.05 2k62 s THR 59 Ca -0.03 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.11 2k62 s THR 59 Cb -0.01 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 2k62 s THR 59 CO -0.06 0.07 -0.16 0.20 -0.69 0.00 0.00 174.62 173.99 2k62 s ASN 60 N -0.97 1.87 -0.32 3.53 0.01 0.51 -4.78 114.94 114.79 2k62 s ASN 60 Ca 0.02 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2k62 s ASN 60 Cb -0.07 -0.19 0.11 0.00 0.41 0.00 0.00 41.25 41.50 2k62 s ASN 60 CO 0.01 0.17 0.13 -0.44 -1.51 0.00 0.00 177.10 175.45 2k62 s SER 61 N -0.56 3.79 -0.13 -1.22 0.01 -1.24 -0.65 113.70 113.70 2k62 s SER 61 Ca 0.05 -1.69 -0.02 0.00 1.31 0.00 0.00 55.95 55.61 2k62 s SER 61 Cb -0.07 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2k62 s SER 61 CO -0.00 -0.40 -0.06 0.72 0.41 0.00 0.00 173.24 173.91 2k62 s PHE 62 N 1.58 2.97 -0.43 2.43 -0.71 -0.81 -4.66 117.98 118.35 2k62 s PHE 62 Ca 0.11 -0.29 -0.24 0.00 -1.04 0.00 0.00 56.93 55.47 2k62 s PHE 62 Cb -0.18 -1.88 0.02 0.00 -1.21 0.00 0.00 43.02 39.77 2k62 s PHE 62 CO -0.24 0.01 0.86 0.99 -1.34 0.00 0.00 175.22 175.50 2k62 s THR 63 N 0.10 4.59 -0.07 -4.49 2.01 -1.26 -0.53 115.64 115.99 2k62 s THR 63 Ca -0.02 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 2k62 s THR 63 Cb -0.14 -4.34 -0.06 0.00 0.01 0.00 0.00 72.50 67.97 2k62 s THR 63 CO 0.03 -0.68 1.80 -0.76 -0.69 0.00 0.00 174.62 174.32 2k62 s LEU 64 N 3.45 4.19 0.00 4.42 1.43 -0.73 -2.01 118.68 129.43 2k62 s LEU 64 Ca 0.34 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2k62 s LEU 64 Cb -0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2k62 s LEU 64 CO 0.22 -1.13 0.00 0.61 0.23 0.00 0.00 176.35 176.28 2k62 n GLY 65 N 4.52 1.53 3.63 -3.19 0.00 0.61 -4.85 105.19 107.44 2k62 n GLY 65 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2k62 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 66 N -0.60 2.08 -0.02 1.61 -0.14 -0.85 -4.99 119.74 116.84 2k62 s LYS 66 Ca 0.00 -2.31 -0.30 0.00 -1.36 0.00 0.00 55.97 52.00 2k62 s LYS 66 Cb 0.00 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 2k62 s LYS 66 CO 0.00 -0.46 1.21 -2.00 -0.76 0.00 0.00 175.35 173.34 2k62 s GLU 67 N -3.77 4.38 0.05 1.68 2.56 -1.26 -4.13 118.70 118.21 2k62 s GLU 67 Ca 0.14 1.72 0.08 0.00 0.00 0.00 0.00 54.97 56.90 2k62 s GLU 67 Cb 0.01 -3.49 -0.03 0.00 2.00 0.00 0.00 34.13 32.62 2k62 s GLU 67 CO 0.09 -0.39 -0.22 0.00 -0.56 0.00 0.00 175.26 174.18 2k62 s ALA 68 N 1.86 1.89 -0.27 6.30 0.00 -0.59 -4.77 121.76 126.17 2k62 s ALA 68 Ca 0.57 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2k62 s ALA 68 Cb -0.26 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2k62 s ALA 68 CO 0.25 0.43 0.26 0.16 0.00 0.00 0.00 175.76 176.85 2k62 s ASP 69 N -1.27 6.13 -0.12 0.00 -4.77 -1.26 -1.45 116.67 113.92 2k62 s ASP 69 Ca 0.08 0.13 -0.04 0.00 -3.30 0.00 0.00 52.55 49.42 2k62 s ASP 69 Cb -0.09 -2.15 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2k62 s ASP 69 CO 0.02 -0.08 0.04 -0.63 0.70 0.00 0.00 175.17 175.22 2k62 s ILE 70 N 1.75 4.59 -0.26 2.11 -1.09 0.19 -4.63 121.20 123.85 2k62 s ILE 70 Ca 0.10 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.40 2k62 s ILE 70 Cb -0.16 -2.99 0.07 0.00 -1.58 0.00 0.00 42.46 37.81 2k62 s ILE 70 CO 0.10 0.56 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.45 2k62 s THR 71 N -0.45 1.58 0.87 2.92 2.01 -1.26 -0.06 115.64 121.25 2k62 s THR 71 Ca 0.09 -1.41 -0.11 0.00 0.31 0.00 0.00 61.69 60.56 2k62 s THR 71 Cb -0.12 -1.92 0.12 0.00 0.01 0.00 0.00 72.50 70.58 2k62 s THR 71 CO 0.02 -0.24 1.09 0.28 -0.69 0.00 0.00 174.62 175.09 2k62 s THR 72 N 1.34 2.78 0.17 -0.82 -1.32 -0.85 -4.72 115.64 112.22 2k62 s THR 72 Ca -0.02 0.25 0.31 0.00 -1.21 0.00 0.00 61.69 61.02 2k62 s THR 72 Cb -0.19 -2.74 0.31 0.00 -1.51 0.00 0.00 72.50 68.37 2k62 s THR 72 CO -0.09 -0.33 1.94 0.00 -2.21 0.00 0.00 174.62 173.94 2k62 h MET 73 N -1.47 0.00 0.00 7.08 -0.00 -1.90 -0.52 114.93 118.11 2k62 h MET 73 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 2k62 h MET 73 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.87 2k62 h MET 73 CO 0.54 0.00 0.00 0.38 -0.00 0.00 0.00 176.91 177.83 2k62 h ASP 74 N 0.00 0.00 0.00 -0.10 2.03 -1.93 -3.42 116.42 113.00 2k62 h ASP 74 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k62 h ASP 74 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 2k62 h ASP 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2k62 n GLY 75 N 1.08 0.81 3.81 7.15 0.00 -0.20 -5.09 105.19 112.74 2k62 n GLY 75 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2k62 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 76 N -0.75 4.13 -0.12 1.61 1.02 -1.26 -4.90 119.74 119.48 2k62 s LYS 76 Ca 0.00 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 2k62 s LYS 76 Cb 0.00 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2k62 s LYS 76 CO 0.00 0.58 0.17 0.15 -0.92 0.00 0.00 175.35 175.33 2k62 s LYS 77 N -0.84 3.58 0.04 1.68 -0.14 -1.26 -2.01 119.74 120.79 2k62 s LYS 77 Ca 0.27 -0.08 -0.02 0.00 -1.36 0.00 0.00 55.97 54.78 2k62 s LYS 77 Cb -0.18 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.72 2k62 s LYS 77 CO 0.16 0.71 0.01 -1.17 -0.76 0.00 0.00 175.35 174.31 2k62 s LEU 78 N -0.86 2.17 0.03 3.17 2.96 0.92 -4.99 118.68 122.09 2k62 s LEU 78 Ca 0.15 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2k62 s LEU 78 Cb -0.12 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 2k62 s LEU 78 CO 0.04 -0.48 -0.09 -1.59 -1.32 0.00 0.00 176.35 172.92 2k62 s LYS 79 N -2.71 2.38 -0.24 1.98 0.00 -1.26 0.53 119.74 120.42 2k62 s LYS 79 Ca -0.04 -0.83 -0.26 0.00 0.00 0.00 0.00 55.97 54.84 2k62 s LYS 79 Cb -0.01 -2.41 0.07 0.00 0.00 0.00 0.00 37.83 35.48 2k62 s LYS 79 CO -0.05 0.57 0.71 0.00 0.00 0.00 0.00 175.35 176.57 2k62 s THR 81 N 0.16 4.59 -0.04 0.00 2.01 -1.26 -1.54 115.64 119.56 2k62 s THR 81 Ca -0.02 -2.46 -0.20 0.00 0.31 0.00 0.00 61.69 59.33 2k62 s THR 81 Cb -0.04 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2k62 s THR 81 CO 0.02 -0.91 0.55 -0.69 -0.69 0.00 0.00 174.62 172.90 2k62 s VAL 82 N 0.40 5.01 -0.04 3.82 1.01 -1.26 -4.74 120.40 124.60 2k62 s VAL 82 Ca 0.14 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.32 2k62 s VAL 82 Cb -0.18 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2k62 s VAL 82 CO -0.05 0.39 -0.21 -2.28 0.00 0.00 0.00 175.10 172.96 2k62 s HIS 83 N 0.03 2.52 -0.49 5.22 2.46 -0.65 -0.29 115.29 124.09 2k62 s HIS 83 Ca 0.29 -0.38 -0.20 0.00 0.47 0.00 0.00 55.06 55.24 2k62 s HIS 83 Cb -0.17 -1.58 0.04 0.00 -0.13 0.00 0.00 32.58 30.74 2k62 s HIS 83 CO 0.15 0.02 0.68 -1.17 -2.47 0.00 0.00 174.74 171.94 2k62 s LEU 84 N -0.54 4.66 -0.41 8.88 2.96 -1.26 -1.37 118.68 131.59 2k62 s LEU 84 Ca 0.08 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2k62 s LEU 84 Cb -0.11 -2.61 0.11 0.00 0.50 0.00 0.00 46.19 44.08 2k62 s LEU 84 CO 0.01 -0.90 0.21 0.00 -1.32 0.00 0.00 176.35 174.35 2k62 s ALA 85 N 2.90 3.16 -1.39 5.97 0.00 0.75 -4.70 121.76 128.45 2k62 s ALA 85 Ca 0.20 -2.53 -0.08 0.00 0.00 0.00 0.00 51.96 49.56 2k62 s ALA 85 Cb -0.16 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.57 2k62 s ALA 85 CO 0.16 -1.80 1.01 -1.71 0.00 0.00 0.00 175.76 173.41 2k62 n ASN 86 N 4.61 -4.35 0.00 0.00 5.15 -1.26 -1.54 115.26 117.87 2k62 n ASN 86 Ca -0.03 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.27 2k62 n ASN 86 Cb 0.41 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 2k62 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k62 n GLY 87 N -1.71 3.06 3.77 8.20 0.00 -1.26 -5.01 105.19 112.24 2k62 n GLY 87 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2k62 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s LYS 88 N -0.31 4.32 -0.32 1.61 1.02 -0.59 -4.92 119.74 120.56 2k62 s LYS 88 Ca 0.00 0.77 -0.20 0.00 0.02 0.00 0.00 55.97 56.56 2k62 s LYS 88 Cb 0.00 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2k62 s LYS 88 CO 0.00 0.40 0.64 -0.51 -0.92 0.00 0.00 175.35 174.96 2k62 s LEU 89 N -0.33 4.17 -0.07 3.17 1.43 -1.26 -0.18 118.68 125.61 2k62 s LEU 89 Ca 0.31 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2k62 s LEU 89 Cb -0.19 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 2k62 s LEU 89 CO 0.18 -0.52 -0.20 -0.69 0.23 0.00 0.00 176.35 175.36 2k62 s VAL 90 N 2.66 2.54 -0.25 -1.59 1.01 -0.47 -3.87 120.40 120.43 2k62 s VAL 90 Ca 0.25 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 2k62 s VAL 90 Cb -0.15 -1.98 0.15 0.00 0.00 0.00 0.00 36.38 34.41 2k62 s VAL 90 CO 0.13 0.57 1.16 0.28 0.00 0.00 0.00 175.10 177.23 2k62 s THR 91 N -0.26 0.00 -0.17 3.92 -1.32 -1.25 -1.64 115.64 114.92 2k62 s THR 91 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.34 2k62 s THR 91 Cb -0.13 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2k62 s THR 91 CO 0.03 0.00 0.45 -0.75 -2.21 0.00 0.00 174.62 172.14 2k62 s LYS 92 N -0.45 0.51 0.20 7.08 2.36 -1.26 -2.80 119.74 125.38 2k62 s LYS 92 Ca 0.03 0.68 0.00 0.00 -2.55 0.00 0.00 55.97 54.13 2k62 s LYS 92 Cb -0.03 0.20 -0.00 0.00 -1.05 0.00 0.00 37.83 36.95 2k62 s LYS 92 CO -0.06 -0.08 0.01 0.43 1.55 0.00 0.00 175.35 177.20 2k62 n SER 93 N 3.14 2.35 -0.14 1.43 7.64 0.12 -4.99 113.62 123.17 2k62 n SER 93 Ca -0.15 -1.88 -0.05 0.00 1.01 0.00 0.00 58.87 57.80 2k62 n SER 93 Cb 0.57 0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.96 2k62 n SER 93 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k62 h GLU 94 N 0.00 -0.13 -0.74 1.43 5.08 -2.02 -3.18 114.58 115.01 2k62 h GLU 94 Ca -0.16 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.84 2k62 h GLU 94 Cb 0.50 0.03 -0.41 0.00 0.50 0.00 0.00 28.75 29.38 2k62 h GLU 94 CO 0.27 -0.09 -1.05 1.17 -1.00 0.00 0.00 179.01 178.31 2k62 n LYS 95 N -5.40 2.09 -3.73 2.33 4.81 -1.26 -5.05 118.16 111.94 2k62 n LYS 95 Ca 0.03 -3.66 -0.12 0.00 -0.87 0.00 0.00 58.31 53.69 2k62 n LYS 95 Cb 0.31 -1.70 -0.11 0.00 0.02 0.00 0.00 35.03 33.55 2k62 n LYS 95 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2k62 s PHE 96 N -3.57 -0.44 0.00 5.64 5.36 -1.20 -4.60 117.98 119.17 2k62 s PHE 96 Ca 0.33 1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 2k62 s PHE 96 Cb 0.38 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 43.21 2k62 s PHE 96 CO -0.02 -0.23 0.02 -1.54 -1.46 0.00 0.00 175.22 171.98 2k62 s SER 97 N 0.58 0.10 -0.11 6.13 1.04 -1.26 0.16 113.70 120.34 2k62 s SER 97 Ca -0.03 -0.23 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 2k62 s SER 97 Cb -0.05 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2k62 s SER 97 CO -0.03 -0.19 0.36 -2.28 0.98 0.00 0.00 173.24 172.07 2k62 s HIS 98 N -0.84 -0.36 0.18 5.02 2.46 -1.12 -3.40 115.29 117.23 2k62 s HIS 98 Ca -0.09 0.83 0.02 0.00 0.47 0.00 0.00 55.06 56.29 2k62 s HIS 98 Cb -0.06 0.13 -0.05 0.00 -0.13 0.00 0.00 32.58 32.48 2k62 s HIS 98 CO -0.00 -0.24 0.01 -1.21 -2.47 0.00 0.00 174.74 170.82 2k62 s GLU 99 N -0.14 1.12 -0.09 2.88 2.02 -1.25 -3.91 118.70 119.33 2k62 s GLU 99 Ca -0.03 -1.54 -0.07 0.00 0.02 0.00 0.00 54.97 53.34 2k62 s GLU 99 Cb -0.03 -0.27 0.03 0.00 0.10 0.00 0.00 34.13 33.96 2k62 s GLU 99 CO 0.01 -0.14 0.23 -1.14 0.02 0.00 0.00 175.26 174.25 2k62 s GLN 100 N -3.92 0.25 -0.28 1.61 2.00 -1.25 -3.95 119.66 114.12 2k62 s GLN 100 Ca 0.25 0.35 -0.16 0.00 -2.00 0.00 0.00 55.36 53.80 2k62 s GLN 100 Cb 0.06 0.08 0.09 0.00 0.80 0.00 0.00 33.01 34.05 2k62 s GLN 100 CO 0.04 -0.06 0.75 -2.00 -0.50 0.00 0.00 175.29 173.53 2k62 s GLU 101 N 0.33 0.64 -0.16 1.67 2.12 -1.21 -4.56 118.70 117.53 2k62 s GLU 101 Ca -0.02 1.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.40 2k62 s GLU 101 Cb -0.03 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 2k62 s GLU 101 CO -0.01 -0.13 -0.10 0.08 -0.54 0.00 0.00 175.26 174.55 2k62 s VAL 102 N 1.53 3.10 -0.81 3.70 1.01 -1.26 -2.42 120.40 125.26 2k62 s VAL 102 Ca -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2k62 s VAL 102 Cb -0.05 -2.34 0.29 0.00 0.00 0.00 0.00 36.38 34.28 2k62 s VAL 102 CO -0.18 0.49 2.15 0.29 0.00 0.00 0.00 175.10 177.85 2k62 n LYS 103 N 4.02 3.04 0.00 2.72 4.76 0.18 -4.90 118.16 127.99 2k62 n LYS 103 Ca -0.18 -3.44 0.00 0.00 -2.87 0.00 0.00 58.31 51.82 2k62 n LYS 103 Cb 0.52 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 2k62 n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k62 n GLY 104 N -0.17 1.50 0.00 0.72 0.00 -1.26 -3.58 105.19 102.39 2k62 n GLY 104 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2k62 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k62 n ASN 105 N 3.67 1.14 -4.03 1.61 6.94 -1.26 -5.05 115.26 118.28 2k62 n ASN 105 Ca 0.00 -1.44 -0.14 0.00 -0.02 0.00 0.00 54.58 52.98 2k62 n ASN 105 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 2k62 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k62 s GLU 106 N -0.44 0.51 -0.09 -3.83 2.02 -1.23 -2.67 118.70 112.97 2k62 s GLU 106 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2k62 s GLU 106 Cb 0.00 -0.37 0.02 0.00 0.10 0.00 0.00 34.13 33.88 2k62 s GLU 106 CO 0.00 0.08 -0.09 1.41 0.02 0.00 0.00 175.26 176.68 2k62 s MET 107 N -1.05 1.54 -0.04 1.61 1.75 0.00 0.51 119.30 123.62 2k62 s MET 107 Ca -0.05 -0.30 0.07 0.00 -1.25 0.00 0.00 55.69 54.15 2k62 s MET 107 Cb -0.07 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.13 2k62 s MET 107 CO 0.00 -0.14 -0.25 0.14 -0.65 0.00 0.00 175.02 174.13 2k62 s VAL 108 N 1.24 2.01 -0.01 10.11 -7.23 -1.01 -1.15 120.40 124.36 2k62 s VAL 108 Ca -0.04 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 2k62 s VAL 108 Cb -0.14 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2k62 s VAL 108 CO -0.03 0.56 0.21 -1.83 -0.31 0.00 0.00 175.10 173.70 2k62 s GLU 109 N -0.36 0.54 -0.11 4.82 -1.05 -0.86 -3.29 118.70 118.37 2k62 s GLU 109 Ca 0.03 -0.26 -0.07 0.00 -0.15 0.00 0.00 54.97 54.52 2k62 s GLU 109 Cb -0.12 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2k62 s GLU 109 CO 0.01 -0.13 0.13 0.95 0.95 0.00 0.00 175.26 177.17 2k62 s THR 110 N -1.24 5.43 -0.12 1.83 -4.23 -1.25 -0.28 115.64 115.77 2k62 s THR 110 Ca -0.13 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 2k62 s THR 110 Cb -0.06 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.46 2k62 s THR 110 CO 0.02 0.61 0.10 0.27 -0.54 0.00 0.00 174.62 175.08 2k62 s ILE 111 N -1.03 -0.13 -0.22 2.99 -4.36 -0.60 -3.76 121.20 114.10 2k62 s ILE 111 Ca 0.15 0.08 -0.21 0.00 -0.26 0.00 0.00 60.65 60.42 2k62 s ILE 111 Cb -0.12 -0.42 -0.02 0.00 1.25 0.00 0.00 42.46 43.15 2k62 s ILE 111 CO 0.04 -0.09 0.63 -0.89 0.24 0.00 0.00 174.94 174.88 2k62 s THR 112 N 2.18 5.01 -0.24 8.37 2.01 -1.22 -1.67 115.64 130.08 2k62 s THR 112 Ca 0.03 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2k62 s THR 112 Cb -0.14 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.49 2k62 s THR 112 CO -0.07 0.08 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.51 2k62 s PHE 113 N 2.13 2.57 0.00 4.92 0.08 -0.53 -4.61 117.98 122.54 2k62 s PHE 113 Ca 0.28 -1.86 0.00 0.00 0.12 0.00 0.00 56.93 55.47 2k62 s PHE 113 Cb -0.16 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 2k62 s PHE 113 CO 0.10 -0.79 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 2k62 n GLY 114 N 4.62 1.48 0.00 4.36 0.00 -1.26 -3.18 105.19 111.21 2k62 n GLY 114 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k62 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k62 n GLY 115 N 0.00 0.00 3.81 -0.02 0.00 -1.26 -5.06 105.19 102.66 2k62 n GLY 115 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2k62 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k62 s VAL 116 N -0.67 5.23 -0.20 1.61 0.11 -1.19 -5.07 120.40 120.22 2k62 s VAL 116 Ca 0.00 0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 59.58 2k62 s VAL 116 Cb 0.00 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 2k62 s VAL 116 CO 0.00 0.53 0.06 -0.89 -3.33 0.00 0.00 175.10 171.47 2k62 s THR 117 N -0.57 4.61 0.27 5.04 2.01 -1.26 -1.46 115.64 124.28 2k62 s THR 117 Ca 0.19 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2k62 s THR 117 Cb -0.14 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2k62 s THR 117 CO 0.08 0.42 0.15 -1.48 -0.69 0.00 0.00 174.62 173.10 2k62 s LEU 118 N 0.79 3.60 -0.23 4.42 2.34 -0.67 -4.93 118.68 124.00 2k62 s LEU 118 Ca 0.03 -0.41 -0.02 0.00 0.06 0.00 0.00 54.13 53.79 2k62 s LEU 118 Cb -0.14 -2.14 0.01 0.00 -0.56 0.00 0.00 46.19 43.37 2k62 s LEU 118 CO 0.02 -0.07 -0.07 -0.63 -1.06 0.00 0.00 176.35 174.54 2k62 s ILE 119 N -2.22 3.01 -0.10 1.48 1.01 -1.26 -1.56 121.20 121.56 2k62 s ILE 119 Ca 0.34 -0.78 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 2k62 s ILE 119 Cb -0.07 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2k62 s ILE 119 CO 0.24 0.34 0.80 -0.60 0.00 0.00 0.00 174.94 175.71 2k62 s ARG 120 N 1.39 4.39 -0.32 2.79 3.52 0.61 -4.80 118.95 126.54 2k62 s ARG 120 Ca 0.03 1.02 -0.02 0.00 -0.13 0.00 0.00 55.73 56.63 2k62 s ARG 120 Cb -0.15 -3.51 0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2k62 s ARG 120 CO -0.05 -0.13 0.03 0.50 -0.81 0.00 0.00 175.30 174.84 2k62 s ARG 121 N 1.44 2.34 -0.03 5.12 3.52 -1.26 -2.04 118.95 128.04 2k62 s ARG 121 Ca 0.40 -1.36 0.06 0.00 -0.13 0.00 0.00 55.73 54.70 2k62 s ARG 121 Cb -0.18 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2k62 s ARG 121 CO 0.17 -0.69 -0.22 -1.12 -0.81 0.00 0.00 175.30 172.63 2k62 s SER 122 N 1.32 3.43 0.33 -2.12 0.01 -0.30 -2.78 113.70 113.59 2k62 s SER 122 Ca -0.03 -0.37 0.10 0.00 1.31 0.00 0.00 55.95 56.96 2k62 s SER 122 Cb -0.20 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.44 2k62 s SER 122 CO -0.02 0.32 -0.11 -1.59 0.41 0.00 0.00 173.24 172.25 2k62 s LYS 123 N -0.70 1.80 -0.73 12.44 -2.85 -0.77 -0.82 119.74 128.12 2k62 s LYS 123 Ca 0.11 -1.88 -0.26 0.00 -1.00 0.00 0.00 55.97 52.93 2k62 s LYS 123 Cb -0.10 -1.74 0.01 0.00 -2.06 0.00 0.00 37.83 33.94 2k62 s LYS 123 CO -0.00 0.19 1.53 -0.98 0.10 0.00 0.00 175.35 176.18 2k62 s ARG 124 N -3.59 2.99 0.00 1.78 1.04 -1.09 -0.95 118.95 119.13 2k62 s ARG 124 Ca 0.32 -0.02 0.00 0.00 -1.04 0.00 0.00 55.73 54.99 2k62 s ARG 124 Cb 0.01 -4.39 0.00 0.00 -2.04 0.00 0.00 34.95 28.53 2k62 s ARG 124 CO 0.16 -2.42 0.00 0.28 -0.04 0.00 0.00 175.30 173.28