#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lif h ASP 2 N 0.00 0.39 0.44 0.00 5.19 -2.02 -1.00 116.42 119.42 1lif h ASP 2 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1lif h ASP 2 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1lif h ASP 2 CO 0.00 0.28 0.00 0.00 -3.12 0.00 0.00 179.24 176.40 1lif n ALA 3 N -2.49 1.45 0.24 3.45 0.00 -1.26 -2.46 120.51 119.45 1lif n ALA 3 Ca 0.03 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1lif n ALA 3 Cb 0.08 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 1lif n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lif n PHE 4 N -2.03 0.27 -1.98 0.00 3.72 -0.38 -4.97 117.46 112.09 1lif n PHE 4 Ca 0.01 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1lif n PHE 4 Cb 0.15 -0.54 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 1lif n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1lif s VAL 5 N -3.36 2.68 -5.00 -4.37 1.01 -1.03 -4.57 120.40 105.76 1lif s VAL 5 Ca -0.02 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1lif s VAL 5 Cb 0.13 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1lif s VAL 5 CO 0.86 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1lif n GLY 6 N 3.06 0.09 3.43 4.51 0.00 -0.76 -4.96 105.19 110.55 1lif n GLY 6 Ca 0.11 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1lif n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lif s THR 7 N -1.83 3.27 0.03 2.61 2.01 -1.26 -0.93 115.64 119.54 1lif s THR 7 Ca 0.00 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1lif s THR 7 Cb 0.00 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1lif s THR 7 CO 0.00 0.53 -0.18 0.26 -0.69 0.00 0.00 174.62 174.54 1lif s TRP 8 N 0.13 1.62 0.01 4.92 0.52 0.78 -1.20 118.94 125.71 1lif s TRP 8 Ca -0.05 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.78 1lif s TRP 8 Cb -0.15 -0.97 -0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1lif s TRP 8 CO 0.04 0.06 -0.21 -1.59 0.02 0.00 0.00 176.95 175.28 1lif s LYS 9 N -1.06 1.56 0.19 4.98 -2.85 0.08 -0.68 119.74 121.96 1lif s LYS 9 Ca 0.06 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 53.92 1lif s LYS 9 Cb -0.08 -1.57 -0.09 0.00 -2.06 0.00 0.00 37.83 34.03 1lif s LYS 9 CO 0.01 0.42 1.40 -1.17 0.10 0.00 0.00 175.35 176.12 1lif s LEU 10 N -0.73 4.39 -0.12 2.77 2.96 -1.09 -1.64 118.68 125.23 1lif s LEU 10 Ca 0.08 2.49 0.01 0.00 -0.22 0.00 0.00 54.13 56.49 1lif s LEU 10 Cb -0.08 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1lif s LEU 10 CO 0.00 -0.65 -0.11 0.52 -1.32 0.00 0.00 176.35 174.79 1lif n VAL 11 N 3.05 0.69 -3.69 1.68 0.31 0.63 -4.90 118.33 116.11 1lif n VAL 11 Ca 0.09 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1lif n VAL 11 Cb 0.41 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 1lif n VAL 11 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1lif s SER 12 N -5.20 -0.19 -0.00 4.52 1.04 -1.09 -4.99 113.70 107.80 1lif s SER 12 Ca -0.16 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 1lif s SER 12 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1lif s SER 12 CO 0.28 -0.73 0.00 -0.55 0.98 0.00 0.00 173.24 173.22 1lif s SER 13 N -2.42 0.00 -0.06 7.02 0.15 -1.26 -1.35 113.70 115.78 1lif s SER 13 Ca -0.01 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1lif s SER 13 Cb 0.01 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1lif s SER 13 CO -0.07 -0.01 -0.10 -0.70 1.20 0.00 0.00 173.24 173.56 1lif s GLU 14 N 0.07 1.45 -2.07 5.44 2.12 0.02 -4.85 118.70 120.88 1lif s GLU 14 Ca -0.01 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1lif s GLU 14 Cb -0.01 -1.24 0.00 0.00 0.26 0.00 0.00 34.13 33.14 1lif s GLU 14 CO -0.00 0.00 0.00 0.09 -0.54 0.00 0.00 175.26 174.81 1lif n ASN 15 N 3.85 -5.32 0.06 -1.70 3.02 -1.26 -2.16 115.26 111.75 1lif n ASN 15 Ca -0.24 0.43 -0.05 0.00 -0.03 0.00 0.00 54.58 54.69 1lif n ASN 15 Cb 0.51 -4.68 0.14 0.00 -0.61 0.00 0.00 39.78 35.14 1lif n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1lif h PHE 16 N 0.00 0.41 -0.41 3.10 3.57 -1.89 -1.69 116.94 120.03 1lif h PHE 16 Ca -0.42 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 60.84 1lif h PHE 16 Cb 1.31 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1lif h PHE 16 CO 0.56 0.77 -0.19 0.22 -2.23 0.00 0.00 178.31 177.44 1lif h ASP 17 N 0.27 0.80 -0.40 0.41 3.58 -1.96 -0.82 116.42 118.30 1lif h ASP 17 Ca 0.01 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.12 1lif h ASP 17 Cb 0.98 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1lif h ASP 17 CO 0.08 0.98 0.05 0.44 -2.88 0.00 0.00 179.24 177.91 1lif h ASP 18 N 0.70 0.72 -0.15 2.28 3.32 -1.88 -0.69 116.42 120.71 1lif h ASP 18 Ca 0.10 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1lif h ASP 18 Cb 0.70 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1lif h ASP 18 CO 0.05 0.76 0.04 0.22 -1.72 0.00 0.00 179.24 178.60 1lif h TYR 19 N 0.72 0.24 -0.54 4.55 3.20 -0.85 -2.07 116.97 122.22 1lif h TYR 19 Ca 0.15 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1lif h TYR 19 Cb 0.38 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1lif h TYR 19 CO 0.02 0.36 0.26 0.52 -1.64 0.00 0.00 178.16 177.68 1lif h MET 20 N 0.05 0.76 -0.32 1.82 2.86 -0.85 -1.17 114.93 118.08 1lif h MET 20 Ca 0.05 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1lif h MET 20 Cb 0.24 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1lif h MET 20 CO -0.00 0.59 0.19 0.87 1.06 0.00 0.00 176.91 179.62 1lif h LYS 21 N 0.76 0.43 -0.50 1.72 1.57 -0.97 -0.11 116.57 119.47 1lif h LYS 21 Ca 0.19 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1lif h LYS 21 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1lif h LYS 21 CO -0.03 0.34 0.19 1.49 -0.57 0.00 0.00 179.45 180.88 1lif h GLU 22 N 0.40 0.72 0.00 3.15 4.57 -0.73 -0.54 114.58 122.16 1lif h GLU 22 Ca 0.11 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1lif h GLU 22 Cb 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1lif h GLU 22 CO -0.02 0.60 0.00 0.28 -1.18 0.00 0.00 179.01 178.69 1lif h VAL 23 N 0.72 0.00 0.00 0.32 2.07 -0.81 -3.47 116.25 115.08 1lif h VAL 23 Ca 0.17 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1lif h VAL 23 Cb 0.15 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1lif h VAL 23 CO -0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.18 1lif n GLY 24 N 0.21 1.06 3.74 2.17 0.00 -0.21 -5.06 105.19 107.10 1lif n GLY 24 Ca 0.02 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1lif n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lif s VAL 25 N -2.00 3.95 0.74 1.61 1.01 -0.16 -5.01 120.40 120.54 1lif s VAL 25 Ca 0.00 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 1lif s VAL 25 Cb 0.00 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1lif s VAL 25 CO 0.00 0.32 1.09 -0.83 0.00 0.00 0.00 175.10 175.68 1lif s GLY 26 N -0.30 1.78 0.18 4.51 0.00 -1.26 -4.62 107.32 107.61 1lif s GLY 26 Ca 0.47 0.31 -0.21 0.00 0.00 0.00 0.00 44.72 45.30 1lif s GLY 26 CO 0.34 0.66 1.59 -2.75 0.00 0.00 0.00 173.10 172.95 1lif h PHE 27 N -0.85 -0.87 -0.47 1.90 3.57 -1.98 0.28 116.94 118.52 1lif h PHE 27 Ca -0.44 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1lif h PHE 27 Cb 1.23 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 1lif h PHE 27 CO 0.57 -0.37 0.17 0.00 -2.23 0.00 0.00 178.31 176.45 1lif h ALA 28 N 0.94 0.61 -0.28 2.41 0.00 -1.99 -0.45 119.26 120.49 1lif h ALA 28 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1lif h ALA 28 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1lif h ALA 28 CO -0.61 0.23 -0.26 1.15 0.00 0.00 0.00 179.25 179.76 1lif h THR 29 N 0.61 1.27 -0.57 0.00 2.02 -1.85 -1.41 112.91 113.00 1lif h THR 29 Ca 0.15 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 1lif h THR 29 Cb 0.22 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1lif h THR 29 CO -0.01 0.42 0.10 0.03 0.37 0.00 0.00 175.52 176.44 1lif h ARG 30 N 0.49 0.89 -0.30 6.66 3.08 -0.30 -0.42 114.38 124.48 1lif h ARG 30 Ca 0.07 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 1lif h ARG 30 Cb 0.70 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1lif h ARG 30 CO 0.05 0.82 -0.46 0.87 -1.07 0.00 0.00 179.97 180.18 1lif h LYS 31 N 0.85 0.78 -0.34 0.04 1.79 -0.61 -1.66 116.57 117.42 1lif h LYS 31 Ca 0.18 -0.44 -0.04 0.00 -2.18 0.00 0.00 60.65 58.16 1lif h LYS 31 Cb 0.36 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1lif h LYS 31 CO 0.01 1.07 0.04 0.28 -1.08 0.00 0.00 179.45 179.77 1lif h VAL 32 N 0.62 1.24 -0.90 0.50 2.07 -0.96 -2.83 116.25 115.99 1lif h VAL 32 Ca 0.04 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1lif h VAL 32 Cb 1.03 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1lif h VAL 32 CO 0.10 0.28 0.59 0.00 0.02 0.00 0.00 177.57 178.57 1lif h ALA 33 N 0.89 1.46 0.00 1.67 0.00 -1.00 -0.58 119.26 121.70 1lif h ALA 33 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lif h ALA 33 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1lif h ALA 33 CO 0.01 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1lif n GLY 34 N -1.40 -1.48 0.11 0.00 0.00 -0.63 -2.79 105.19 99.00 1lif n GLY 34 Ca 0.13 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1lif n GLY 34 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1lif h MET 35 N 0.00 0.00 -6.81 1.61 2.86 -0.88 -3.47 114.93 108.24 1lif h MET 35 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1lif h MET 35 Cb 0.52 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.20 1lif h MET 35 CO 0.00 0.09 0.47 0.00 1.06 0.00 0.00 176.91 178.53 1lif s ALA 36 N -3.22 3.39 -0.72 6.32 0.00 -0.87 -4.99 121.76 121.68 1lif s ALA 36 Ca -0.01 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1lif s ALA 36 Cb 0.09 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 20.09 1lif s ALA 36 CO 0.79 -0.15 0.63 1.17 0.00 0.00 0.00 175.76 178.21 1lif n LYS 37 N 1.16 2.21 -1.00 0.00 4.81 -1.26 -5.02 118.16 119.07 1lif n LYS 37 Ca -0.01 -4.55 -0.32 0.00 -0.87 0.00 0.00 58.31 52.56 1lif n LYS 37 Cb 0.45 -2.30 0.13 0.00 0.02 0.00 0.00 35.03 33.33 1lif n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1lif s PRO 38 N -1.81 1.57 -0.10 1.64 0.04 -1.26 -4.73 135.00 130.35 1lif s PRO 38 Ca 0.30 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1lif s PRO 38 Cb 0.02 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1lif s PRO 38 CO -0.11 -2.22 -0.03 -0.80 0.04 0.00 0.00 177.00 173.89 1lif s ASN 39 N -2.71 4.96 -0.16 6.66 0.02 -0.89 -2.65 114.94 120.17 1lif s ASN 39 Ca 0.67 0.03 -0.03 0.00 -1.02 0.00 0.00 52.86 52.51 1lif s ASN 39 Cb -0.23 -1.45 -0.03 0.00 0.02 0.00 0.00 41.25 39.56 1lif s ASN 39 CO 0.55 0.32 -0.05 -0.32 0.02 0.00 0.00 177.10 177.62 1lif s MET 40 N -0.56 3.63 -0.17 -0.60 -2.45 0.15 -1.04 119.30 118.26 1lif s MET 40 Ca 0.09 -0.54 0.01 0.00 -1.25 0.00 0.00 55.69 54.00 1lif s MET 40 Cb -0.12 -2.90 0.01 0.00 1.25 0.00 0.00 34.83 33.08 1lif s MET 40 CO 0.02 0.21 -0.20 0.42 1.05 0.00 0.00 175.02 176.52 1lif s ILE 41 N 0.44 2.17 -0.07 10.11 1.01 0.15 -0.15 121.20 134.86 1lif s ILE 41 Ca -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1lif s ILE 41 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1lif s ILE 41 CO 0.03 0.54 -0.20 -0.63 0.00 0.00 0.00 174.94 174.67 1lif s ILE 42 N 1.10 2.48 0.06 2.92 1.01 -0.10 -0.99 121.20 127.67 1lif s ILE 42 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1lif s ILE 42 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1lif s ILE 42 CO -0.08 0.57 0.11 -0.94 0.00 0.00 0.00 174.94 174.60 1lif s SER 43 N -0.20 0.21 -0.02 3.58 1.04 -0.64 -1.83 113.70 115.83 1lif s SER 43 Ca -0.02 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1lif s SER 43 Cb -0.13 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 1lif s SER 43 CO 0.03 -0.60 -0.11 -0.69 0.98 0.00 0.00 173.24 172.86 1lif s VAL 44 N -3.24 0.90 -0.25 5.02 1.01 -1.26 -0.78 120.40 121.80 1lif s VAL 44 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1lif s VAL 44 Cb 0.02 -0.78 0.10 0.00 0.00 0.00 0.00 36.38 35.72 1lif s VAL 44 CO -0.08 0.27 0.17 0.21 0.00 0.00 0.00 175.10 175.67 1lif s ASN 45 N 0.02 2.53 1.48 3.32 3.04 -0.05 -5.02 114.94 120.27 1lif s ASN 45 Ca -0.01 -0.85 0.00 0.00 0.04 0.00 0.00 52.86 52.04 1lif s ASN 45 Cb -0.08 -0.03 0.00 0.00 -1.54 0.00 0.00 41.25 39.61 1lif s ASN 45 CO 0.00 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.28 1lif n GLY 46 N 5.28 2.33 0.00 1.21 0.00 -1.26 -1.84 105.19 110.92 1lif n GLY 46 Ca -0.05 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.76 1lif n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lif n ASP 47 N 7.01 0.31 -4.64 1.61 8.00 -1.26 -4.86 116.55 122.72 1lif n ASP 47 Ca 0.00 0.09 -0.35 0.00 0.71 0.00 0.00 54.79 55.24 1lif n ASP 47 Cb 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1lif n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lif s LEU 48 N -3.07 3.86 -0.13 0.64 1.43 -0.77 -4.40 118.68 116.25 1lif s LEU 48 Ca 0.12 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1lif s LEU 48 Cb 0.18 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1lif s LEU 48 CO 0.63 0.16 0.08 -0.69 0.23 0.00 0.00 176.35 176.77 1lif s VAL 49 N 0.43 5.03 -0.08 -1.59 1.01 -0.04 -0.87 120.40 124.28 1lif s VAL 49 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1lif s VAL 49 Cb -0.12 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1lif s VAL 49 CO 0.00 0.57 -0.23 -0.89 0.00 0.00 0.00 175.10 174.56 1lif s THR 50 N -0.63 2.19 -0.18 3.92 2.01 0.04 -1.29 115.64 121.70 1lif s THR 50 Ca 0.12 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1lif s THR 50 Cb -0.12 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.59 1lif s THR 50 CO 0.02 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.73 1lif s ILE 51 N 0.10 1.82 -0.10 1.82 1.01 -0.08 -1.63 121.20 124.15 1lif s ILE 51 Ca -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1lif s ILE 51 Cb -0.16 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1lif s ILE 51 CO 0.06 0.38 -0.13 -0.60 0.00 0.00 0.00 174.94 174.66 1lif s ARG 52 N 1.36 3.01 -0.13 2.79 3.52 -0.16 -1.58 118.95 127.77 1lif s ARG 52 Ca 0.02 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1lif s ARG 52 Cb -0.14 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1lif s ARG 52 CO -0.11 0.40 -0.21 0.45 -0.81 0.00 0.00 175.30 175.02 1lif s SER 53 N -0.13 3.26 -0.10 -2.12 0.15 -0.44 -0.68 113.70 113.65 1lif s SER 53 Ca -0.01 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.12 1lif s SER 53 Cb -0.14 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 1lif s SER 53 CO 0.03 0.12 -0.20 -1.61 1.20 0.00 0.00 173.24 172.78 1lif s GLU 54 N 0.60 3.04 0.22 5.44 2.02 -0.21 -0.77 118.70 129.05 1lif s GLU 54 Ca -0.12 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 53.99 1lif s GLU 54 Cb -0.16 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 1lif s GLU 54 CO 0.03 0.26 0.33 -1.54 0.02 0.00 0.00 175.26 174.36 1lif s SER 55 N 0.18 0.01 0.24 -0.19 1.04 -0.89 -2.10 113.70 112.00 1lif s SER 55 Ca -0.12 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.16 1lif s SER 55 Cb -0.16 0.50 0.33 0.00 0.10 0.00 0.00 66.02 66.79 1lif s SER 55 CO 0.06 -1.01 1.86 0.71 0.98 0.00 0.00 173.24 175.84 1lif h THR 56 N 2.41 1.06 0.03 2.02 1.35 -2.00 -3.16 112.91 114.61 1lif h THR 56 Ca -0.30 -0.34 -0.12 0.00 -0.55 0.00 0.00 66.41 65.09 1lif h THR 56 Cb 1.25 -0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1lif h THR 56 CO 0.43 0.18 -0.50 -0.26 -0.25 0.00 0.00 175.52 175.12 1lif h PHE 57 N 1.00 0.46 -2.58 4.73 0.04 -1.97 -3.47 116.94 115.14 1lif h PHE 57 Ca 0.38 -0.27 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1lif h PHE 57 Cb 0.15 -0.04 -0.24 0.00 2.20 0.00 0.00 35.95 38.01 1lif h PHE 57 CO -0.03 1.11 -0.20 0.21 -0.60 0.00 0.00 178.31 178.79 1lif s LYS 58 N -2.98 0.50 -0.07 1.51 2.47 -1.20 -5.15 119.74 114.82 1lif s LYS 58 Ca -0.14 0.75 0.00 0.00 -1.56 0.00 0.00 55.97 55.02 1lif s LYS 58 Cb 0.02 0.14 -0.03 0.00 -1.46 0.00 0.00 37.83 36.50 1lif s LYS 58 CO 0.79 -0.11 -0.04 -0.80 0.16 0.00 0.00 175.35 175.35 1lif s ASN 59 N 0.80 4.85 0.18 1.43 0.01 -1.26 -2.09 114.94 118.87 1lif s ASN 59 Ca -0.05 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 1lif s ASN 59 Cb -0.05 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.29 1lif s ASN 59 CO -0.06 0.36 -0.15 0.42 -1.51 0.00 0.00 177.10 176.16 1lif s THR 60 N -0.85 1.69 -0.18 1.60 -4.23 0.05 -4.97 115.64 108.76 1lif s THR 60 Ca 0.13 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1lif s THR 60 Cb -0.11 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.88 1lif s THR 60 CO 0.02 -0.49 0.42 -0.70 -0.54 0.00 0.00 174.62 173.33 1lif s GLU 61 N -3.26 0.40 -0.01 3.99 2.12 -1.26 -1.32 118.70 119.35 1lif s GLU 61 Ca 0.18 0.84 0.06 0.00 0.36 0.00 0.00 54.97 56.42 1lif s GLU 61 Cb -0.03 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 1lif s GLU 61 CO 0.06 -0.17 -0.19 0.96 -0.54 0.00 0.00 175.26 175.38 1lif s ILE 62 N 1.58 1.49 -0.04 -3.70 -4.36 -0.62 -5.00 121.20 110.56 1lif s ILE 62 Ca -0.08 -0.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1lif s ILE 62 Cb -0.09 -1.24 -0.00 0.00 1.25 0.00 0.00 42.46 42.38 1lif s ILE 62 CO -0.13 0.40 -0.15 -0.44 0.24 0.00 0.00 174.94 174.86 1lif s SER 63 N -0.49 1.85 0.17 4.36 0.01 -1.26 -0.90 113.70 117.43 1lif s SER 63 Ca 0.07 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 1lif s SER 63 Cb -0.07 -0.48 0.06 0.00 0.21 0.00 0.00 66.02 65.73 1lif s SER 63 CO -0.01 0.13 0.57 0.72 0.41 0.00 0.00 173.24 175.06 1lif s PHE 64 N 0.05 -0.42 -0.13 2.43 -0.71 -0.41 -4.96 117.98 113.83 1lif s PHE 64 Ca -0.03 0.16 -0.05 0.00 -1.04 0.00 0.00 56.93 55.97 1lif s PHE 64 Cb -0.10 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1lif s PHE 64 CO 0.01 -0.86 0.07 0.21 -1.34 0.00 0.00 175.22 173.32 1lif s LYS 65 N -3.78 3.44 -0.01 1.99 2.20 -1.26 -0.87 119.74 121.46 1lif s LYS 65 Ca 0.03 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1lif s LYS 65 Cb -0.01 -3.07 -0.07 0.00 -1.51 0.00 0.00 37.83 33.17 1lif s LYS 65 CO -0.11 0.62 1.72 -0.51 -0.36 0.00 0.00 175.35 176.71 1lif s LEU 66 N -0.60 4.36 0.00 5.43 2.01 -1.26 -2.41 118.68 126.20 1lif s LEU 66 Ca 0.11 2.38 0.00 0.00 0.01 0.00 0.00 54.13 56.64 1lif s LEU 66 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1lif s LEU 66 CO 0.02 -0.95 0.00 0.61 1.01 0.00 0.00 176.35 177.05 1lif n GLY 67 N 4.19 0.27 3.41 -3.19 0.00 -0.12 -4.98 105.19 104.77 1lif n GLY 67 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1lif n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lif s VAL 68 N -2.00 3.80 0.31 1.61 1.01 -1.01 -4.97 120.40 119.15 1lif s VAL 68 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1lif s VAL 68 Cb 0.00 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1lif s VAL 68 CO 0.00 0.42 1.40 -0.70 0.00 0.00 0.00 175.10 176.22 1lif s GLU 69 N 1.14 4.27 0.15 2.72 2.12 -1.26 -4.69 118.70 123.15 1lif s GLU 69 Ca 0.02 2.32 -0.04 0.00 0.36 0.00 0.00 54.97 57.64 1lif s GLU 69 Cb -0.14 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1lif s GLU 69 CO 0.01 -0.35 0.15 -0.59 -0.54 0.00 0.00 175.26 173.93 1lif s PHE 70 N -0.69 0.70 0.02 5.30 -0.71 0.04 -4.96 117.98 117.69 1lif s PHE 70 Ca 0.54 -1.06 -0.26 0.00 -1.04 0.00 0.00 56.93 55.11 1lif s PHE 70 Cb -0.42 -0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.02 1lif s PHE 70 CO 0.51 -0.60 0.80 -0.51 -1.34 0.00 0.00 175.22 174.08 1lif s ASP 71 N -3.02 7.21 0.01 1.98 1.01 -1.26 -0.74 116.67 121.85 1lif s ASP 71 Ca 0.22 1.45 0.02 0.00 0.71 0.00 0.00 52.55 54.96 1lif s ASP 71 Cb 0.06 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1lif s ASP 71 CO 0.02 -0.05 -0.07 -0.70 0.21 0.00 0.00 175.17 174.57 1lif s GLU 72 N 0.26 0.54 -0.25 8.23 2.12 -0.58 -4.93 118.70 124.09 1lif s GLU 72 Ca 0.41 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 1lif s GLU 72 Cb -0.20 -0.48 0.01 0.00 0.26 0.00 0.00 34.13 33.72 1lif s GLU 72 CO 0.23 0.12 -0.04 0.42 -0.54 0.00 0.00 175.26 175.45 1lif s ILE 73 N -0.45 3.13 0.81 -3.70 1.01 -1.26 -0.73 121.20 120.00 1lif s ILE 73 Ca -0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1lif s ILE 73 Cb -0.04 -2.54 0.08 0.00 0.01 0.00 0.00 42.46 39.96 1lif s ILE 73 CO -0.00 0.25 1.13 0.42 0.00 0.00 0.00 174.94 176.74 1lif s THR 74 N 1.39 2.61 0.52 2.92 -4.23 -0.17 -4.88 115.64 113.80 1lif s THR 74 Ca 0.02 0.20 0.21 0.00 -1.18 0.00 0.00 61.69 60.94 1lif s THR 74 Cb -0.16 -3.07 0.34 0.00 1.34 0.00 0.00 72.50 70.95 1lif s THR 74 CO -0.03 -0.26 2.05 0.00 -0.54 0.00 0.00 174.62 175.84 1lif h ALA 75 N -1.08 2.27 -0.45 3.99 0.00 -1.96 0.27 119.26 122.29 1lif h ALA 75 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1lif h ALA 75 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1lif h ALA 75 CO 0.63 -0.36 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1lif n ASP 76 N -4.45 3.56 -3.12 0.00 5.75 -1.26 -4.94 116.55 112.09 1lif n ASP 76 Ca 0.05 -2.34 -0.21 0.00 -0.01 0.00 0.00 54.79 52.27 1lif n ASP 76 Cb 0.39 -0.50 0.06 0.00 -1.03 0.00 0.00 41.12 40.04 1lif n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lif n ASP 77 N 0.70 -5.92 -4.86 -1.12 8.00 0.93 -5.04 116.55 109.25 1lif n ASP 77 Ca 0.18 -0.41 -0.33 0.00 0.71 0.00 0.00 54.79 54.94 1lif n ASP 77 Cb 0.68 -4.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 1lif n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lif s ARG 78 N -5.99 3.91 -0.32 -1.24 0.52 -1.26 -4.83 118.95 109.74 1lif s ARG 78 Ca 0.45 0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1lif s ARG 78 Cb -0.20 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1lif s ARG 78 CO 0.55 0.36 0.12 0.15 0.02 0.00 0.00 175.30 176.50 1lif s LYS 79 N -2.49 3.04 0.27 3.54 1.02 -1.26 -1.00 119.74 122.85 1lif s LYS 79 Ca 0.44 -0.91 0.08 0.00 0.02 0.00 0.00 55.97 55.60 1lif s LYS 79 Cb -0.13 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1lif s LYS 79 CO 0.20 -0.50 -0.09 0.14 -0.92 0.00 0.00 175.35 174.17 1lif s VAL 80 N 1.52 1.78 -0.24 3.17 -7.23 0.09 -4.82 120.40 114.66 1lif s VAL 80 Ca 0.02 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1lif s VAL 80 Cb -0.18 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 1lif s VAL 80 CO 0.04 -0.38 0.14 -0.54 -0.31 0.00 0.00 175.10 174.06 1lif s LYS 81 N -3.68 3.98 0.12 4.82 -0.14 -0.42 -1.53 119.74 122.89 1lif s LYS 81 Ca 0.28 -0.32 0.09 0.00 -1.36 0.00 0.00 55.97 54.66 1lif s LYS 81 Cb 0.02 -3.50 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 1lif s LYS 81 CO 0.11 -0.00 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.38 1lif s SER 82 N 1.22 3.78 -0.04 2.83 0.01 0.08 -1.22 113.70 120.35 1lif s SER 82 Ca 0.07 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 1lif s SER 82 Cb -0.14 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.62 1lif s SER 82 CO 0.05 0.18 0.09 -0.51 0.41 0.00 0.00 173.24 173.47 1lif s ILE 83 N -1.12 -0.03 -0.10 1.44 2.07 -0.77 -0.78 121.20 121.91 1lif s ILE 83 Ca 0.17 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.53 1lif s ILE 83 Cb -0.10 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1lif s ILE 83 CO 0.09 0.04 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.36 1lif s ILE 84 N 0.58 1.59 0.29 2.00 1.01 -1.26 -1.04 121.20 124.37 1lif s ILE 84 Ca -0.04 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 59.98 1lif s ILE 84 Cb -0.06 -1.43 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 1lif s ILE 84 CO -0.02 0.46 -0.13 0.42 0.00 0.00 0.00 174.94 175.66 1lif s THR 85 N 0.74 2.13 -0.30 2.92 -4.23 -0.65 -0.95 115.64 115.31 1lif s THR 85 Ca -0.11 -2.26 -0.08 0.00 -1.18 0.00 0.00 61.69 58.05 1lif s THR 85 Cb -0.16 -2.39 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 1lif s THR 85 CO 0.02 -0.35 0.12 -0.22 -0.54 0.00 0.00 174.62 173.65 1lif s LEU 86 N -3.50 3.97 -0.10 4.79 2.96 -1.26 -1.07 118.68 124.47 1lif s LEU 86 Ca 0.29 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1lif s LEU 86 Cb -0.00 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.78 1lif s LEU 86 CO 0.14 -0.19 0.05 -1.81 -1.32 0.00 0.00 176.35 173.22 1lif s ASP 87 N 1.57 1.78 -1.28 3.68 1.01 -0.20 -4.82 116.67 118.40 1lif s ASP 87 Ca 0.04 -0.25 -0.02 0.00 0.71 0.00 0.00 52.55 53.02 1lif s ASP 87 Cb -0.17 -0.30 0.00 0.00 1.01 0.00 0.00 42.92 43.47 1lif s ASP 87 CO 0.05 -0.27 0.32 0.61 0.21 0.00 0.00 175.17 176.08 1lif n GLY 88 N 5.23 -0.27 2.30 0.21 0.00 -1.26 -1.27 105.19 110.13 1lif n GLY 88 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1lif n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lif n GLY 89 N -1.24 0.41 3.38 -0.02 0.00 -1.26 -5.03 105.19 101.43 1lif n GLY 89 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1lif n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lif s ALA 90 N -1.87 2.32 -0.30 4.61 0.00 -0.39 -4.66 121.76 121.48 1lif s ALA 90 Ca 0.00 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 1lif s ALA 90 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1lif s ALA 90 CO 0.00 0.51 0.68 -0.51 0.00 0.00 0.00 175.76 176.44 1lif s LEU 91 N -2.09 4.12 -0.24 0.00 1.43 -0.31 -1.04 118.68 120.55 1lif s LEU 91 Ca 0.14 0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 53.73 1lif s LEU 91 Cb -0.10 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1lif s LEU 91 CO 0.06 -0.50 0.01 -0.69 0.23 0.00 0.00 176.35 175.46 1lif s VAL 92 N 2.69 3.75 -0.14 -1.59 1.01 -0.23 -0.94 120.40 124.94 1lif s VAL 92 Ca 0.27 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1lif s VAL 92 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1lif s VAL 92 CO 0.11 0.34 -0.06 -1.58 0.00 0.00 0.00 175.10 173.91 1lif s GLN 93 N 1.52 3.54 -0.11 2.72 0.74 0.23 -1.64 119.66 126.66 1lif s GLN 93 Ca 0.05 -0.55 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1lif s GLN 93 Cb -0.15 -2.83 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 1lif s GLN 93 CO -0.00 0.28 -0.20 0.08 -0.55 0.00 0.00 175.29 174.90 1lif s VAL 94 N 0.24 2.43 -0.11 1.34 1.01 -0.21 -0.82 120.40 124.28 1lif s VAL 94 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1lif s VAL 94 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1lif s VAL 94 CO 0.03 0.55 -0.14 -1.10 0.00 0.00 0.00 175.10 174.45 1lif s GLN 95 N 0.30 3.17 -0.04 2.72 -0.21 -0.27 -1.85 119.66 123.47 1lif s GLN 95 Ca -0.15 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 54.59 1lif s GLN 95 Cb -0.17 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 1lif s GLN 95 CO 0.07 0.31 -0.21 0.15 -2.12 0.00 0.00 175.29 173.49 1lif s LYS 96 N 0.09 2.06 -0.20 2.91 1.02 -0.36 -1.67 119.74 123.60 1lif s LYS 96 Ca -0.06 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 1lif s LYS 96 Cb -0.15 -1.81 0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1lif s LYS 96 CO 0.05 0.34 0.77 1.67 -0.92 0.00 0.00 175.35 177.26 1lif s TRP 97 N -0.15 -0.68 -1.51 3.18 -2.14 -0.55 -1.30 118.94 115.80 1lif s TRP 97 Ca -0.01 1.49 -0.16 0.00 2.66 0.00 0.00 56.10 60.07 1lif s TRP 97 Cb -0.12 0.34 0.15 0.00 -3.10 0.00 0.00 33.47 30.74 1lif s TRP 97 CO 0.02 -0.42 0.60 -0.25 -2.66 0.00 0.00 176.95 174.24 1lif n ASP 98 N 1.95 -2.83 0.00 -2.66 8.00 -1.26 -0.01 116.55 119.74 1lif n ASP 98 Ca -0.15 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1lif n ASP 98 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.29 1lif n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lif n GLY 99 N -1.17 0.64 3.75 0.44 0.00 -1.26 -5.01 105.19 102.58 1lif n GLY 99 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1lif n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lif s LYS 100 N -0.20 2.49 0.07 1.61 3.01 0.99 -5.15 119.74 122.56 1lif s LYS 100 Ca 0.00 -1.43 -0.13 0.00 -1.01 0.00 0.00 55.97 53.40 1lif s LYS 100 Cb 0.00 -2.27 0.02 0.00 -1.01 0.00 0.00 37.83 34.57 1lif s LYS 100 CO 0.00 0.18 0.30 -1.54 0.51 0.00 0.00 175.35 174.79 1lif s SER 101 N -3.85 -0.09 0.02 2.83 1.04 -1.26 -1.48 113.70 110.91 1lif s SER 101 Ca 0.37 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 1lif s SER 101 Cb -0.04 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1lif s SER 101 CO 0.23 -0.68 -0.00 0.28 0.98 0.00 0.00 173.24 174.05 1lif s THR 102 N -3.05 0.11 -0.10 2.02 -1.32 -0.67 -4.71 115.64 107.91 1lif s THR 102 Ca -0.01 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1lif s THR 102 Cb 0.01 -0.30 -0.02 0.00 -1.51 0.00 0.00 72.50 70.67 1lif s THR 102 CO -0.07 -0.49 -0.10 -0.89 -2.21 0.00 0.00 174.62 170.86 1lif s THR 103 N -1.48 3.34 -0.19 5.08 2.01 -1.02 -1.11 115.64 122.26 1lif s THR 103 Ca -0.16 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1lif s THR 103 Cb -0.09 -2.39 0.04 0.00 0.01 0.00 0.00 72.50 70.07 1lif s THR 103 CO -0.01 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.73 1lif s ILE 104 N -0.11 1.68 -0.15 1.82 1.01 -0.00 -0.99 121.20 124.45 1lif s ILE 104 Ca -0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1lif s ILE 104 Cb -0.13 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1lif s ILE 104 CO 0.03 0.22 -0.02 -0.75 0.00 0.00 0.00 174.94 174.42 1lif s LYS 105 N 1.39 3.63 -0.17 2.79 2.20 0.18 -0.60 119.74 129.16 1lif s LYS 105 Ca -0.00 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1lif s LYS 105 Cb -0.16 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1lif s LYS 105 CO -0.09 0.31 -0.16 1.03 -0.36 0.00 0.00 175.35 176.08 1lif s ARG 106 N 0.18 3.14 0.05 4.03 0.52 -0.12 -0.98 118.95 125.78 1lif s ARG 106 Ca -0.00 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1lif s ARG 106 Cb -0.13 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1lif s ARG 106 CO 0.02 -0.09 0.02 -1.59 0.02 0.00 0.00 175.30 173.69 1lif s LYS 107 N 1.05 0.63 0.07 3.54 -2.85 -0.21 -1.17 119.74 120.80 1lif s LYS 107 Ca -0.01 -1.10 -0.13 0.00 -1.00 0.00 0.00 55.97 53.73 1lif s LYS 107 Cb -0.14 0.23 -0.06 0.00 -2.06 0.00 0.00 37.83 35.79 1lif s LYS 107 CO -0.05 -0.14 0.45 1.03 0.10 0.00 0.00 175.35 176.74 1lif s ARG 108 N -3.66 3.88 -0.22 1.78 1.81 -1.26 -0.64 118.95 120.65 1lif s ARG 108 Ca 0.04 0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 54.37 1lif s ARG 108 Cb 0.06 -3.06 0.08 0.00 -0.45 0.00 0.00 34.95 31.58 1lif s ARG 108 CO -0.09 0.59 0.14 0.34 -0.68 0.00 0.00 175.30 175.60 1lif s ASP 109 N -1.51 2.45 1.88 0.23 -1.08 -0.55 -4.91 116.67 113.19 1lif s ASP 109 Ca 0.31 -0.74 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 1lif s ASP 109 Cb -0.15 -0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1lif s ASP 109 CO 0.17 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1lif n GLY 110 N 5.28 3.26 0.77 2.66 0.00 -1.26 -1.35 105.19 114.55 1lif n GLY 110 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1lif n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lif n ASP 111 N 5.14 2.27 -4.85 1.61 5.68 -1.26 -4.95 116.55 120.18 1lif n ASP 111 Ca 0.00 -1.89 -0.21 0.00 -0.50 0.00 0.00 54.79 52.18 1lif n ASP 111 Cb 0.00 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 39.72 1lif n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1lif s LYS 112 N -1.56 2.81 -0.13 0.11 -0.14 -0.46 -4.55 119.74 115.84 1lif s LYS 112 Ca 0.32 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1lif s LYS 112 Cb 0.17 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.78 1lif s LYS 112 CO 0.24 0.19 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.70 1lif s LEU 113 N -3.96 2.62 -0.10 3.17 0.20 -0.52 -1.48 118.68 118.61 1lif s LEU 113 Ca 0.39 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.85 1lif s LEU 113 Cb -0.07 -1.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1lif s LEU 113 CO 0.26 0.16 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.67 1lif s VAL 114 N 0.36 3.12 -0.20 1.68 1.01 0.19 -0.42 120.40 126.15 1lif s VAL 114 Ca -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1lif s VAL 114 Cb -0.16 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 1lif s VAL 114 CO 0.06 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.93 1lif s VAL 115 N -0.02 3.02 -0.18 2.92 1.01 0.41 -1.05 120.40 126.51 1lif s VAL 115 Ca -0.03 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1lif s VAL 115 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1lif s VAL 115 CO 0.04 0.46 -0.05 -0.70 0.00 0.00 0.00 175.10 174.85 1lif s GLU 116 N 1.27 3.49 -0.11 2.72 2.12 -0.15 -0.71 118.70 127.33 1lif s GLU 116 Ca 0.03 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1lif s GLU 116 Cb -0.14 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 1lif s GLU 116 CO -0.04 0.02 -0.19 0.00 -0.54 0.00 0.00 175.26 174.51 1lif s VAL 118 N 0.31 1.25 -0.08 0.00 1.01 -0.16 -1.10 120.40 121.62 1lif s VAL 118 Ca -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1lif s VAL 118 Cb -0.17 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.11 1lif s VAL 118 CO 0.07 0.38 0.06 -0.32 0.00 0.00 0.00 175.10 175.29 1lif s MET 119 N 0.72 0.07 -1.37 2.72 1.75 -0.60 -2.43 119.30 120.15 1lif s MET 119 Ca -0.13 0.20 -0.17 0.00 -1.25 0.00 0.00 55.69 54.34 1lif s MET 119 Cb -0.16 -0.96 0.02 0.00 2.84 0.00 0.00 34.83 36.58 1lif s MET 119 CO 0.03 -0.42 0.37 1.63 -0.65 0.00 0.00 175.02 175.97 1lif n LYS 120 N 5.27 -0.76 0.00 4.11 5.02 -1.26 -0.79 118.16 129.74 1lif n LYS 120 Ca -0.05 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1lif n LYS 120 Cb 0.50 -3.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 1lif n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lif n GLY 121 N -2.30 2.78 3.70 0.72 0.00 -1.26 -5.00 105.19 103.83 1lif n GLY 121 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1lif n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lif s VAL 122 N -2.10 5.07 -0.09 1.61 1.01 0.03 -5.07 120.40 120.86 1lif s VAL 122 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1lif s VAL 122 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1lif s VAL 122 CO 0.00 0.23 -0.20 0.42 0.00 0.00 0.00 175.10 175.55 1lif s THR 123 N 1.10 2.47 0.00 3.92 -4.23 -1.26 -1.56 115.64 116.08 1lif s THR 123 Ca 0.32 -0.89 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1lif s THR 123 Cb -0.16 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1lif s THR 123 CO 0.14 0.55 -0.16 -0.55 -0.54 0.00 0.00 174.62 174.07 1lif s SER 124 N 0.12 3.95 -0.10 3.99 0.15 -0.26 -4.73 113.70 116.83 1lif s SER 124 Ca -0.10 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1lif s SER 124 Cb -0.16 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.43 1lif s SER 124 CO 0.06 0.29 -0.17 -0.89 1.20 0.00 0.00 173.24 173.73 1lif s THR 125 N -0.86 1.57 -0.09 6.45 2.01 -0.92 -0.98 115.64 122.84 1lif s THR 125 Ca 0.14 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1lif s THR 125 Cb -0.11 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1lif s THR 125 CO 0.04 0.45 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.14 1lif s ARG 126 N 0.79 2.08 -0.13 4.92 0.52 0.11 -0.80 118.95 126.44 1lif s ARG 126 Ca -0.11 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1lif s ARG 126 Cb -0.16 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1lif s ARG 126 CO 0.01 0.02 -0.06 0.08 0.02 0.00 0.00 175.30 175.37 1lif s VAL 127 N 0.74 3.72 0.07 3.52 1.01 -0.46 -0.44 120.40 128.56 1lif s VAL 127 Ca -0.12 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1lif s VAL 127 Cb -0.16 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1lif s VAL 127 CO 0.03 0.53 -0.25 -0.31 0.00 0.00 0.00 175.10 175.09 1lif s TYR 128 N 0.02 2.36 0.28 5.22 1.51 0.44 -0.26 117.35 126.92 1lif s TYR 128 Ca -0.01 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1lif s TYR 128 Cb -0.14 -1.36 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 1lif s TYR 128 CO 0.03 0.21 -0.11 -1.83 -1.11 0.00 0.00 175.55 172.74 1lif s GLU 129 N -1.52 1.60 0.32 -0.62 -1.05 -0.65 -1.44 118.70 115.33 1lif s GLU 129 Ca 0.13 -1.78 -0.29 0.00 -0.15 0.00 0.00 54.97 52.88 1lif s GLU 129 Cb -0.10 -1.41 -0.10 0.00 -0.44 0.00 0.00 34.13 32.08 1lif s GLU 129 CO 0.04 0.15 1.31 1.03 0.95 0.00 0.00 175.26 178.74 1lif s ARG 130 N -3.64 4.36 0.00 -4.83 0.52 -1.26 -0.74 118.95 113.36 1lif s ARG 130 Ca 0.29 2.20 0.31 0.00 -0.52 0.00 0.00 55.73 58.02 1lif s ARG 130 Cb 0.01 -3.08 1.79 0.00 0.52 0.00 0.00 34.95 34.18 1lif s ARG 130 CO 0.13 -0.20 2.16 0.00 0.02 0.00 0.00 175.30 177.41