#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lts s PRO 2 N 0.00 1.98 0.00 0.00 0.04 -1.26 -5.00 135.00 130.76 1lts s PRO 2 Ca 0.00 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.71 1lts s PRO 2 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1lts s PRO 2 CO 0.00 -1.92 0.48 1.04 0.04 0.00 0.00 177.00 176.63 1lts n GLN 3 N -3.14 3.14 -4.17 4.56 6.02 -1.26 -4.91 117.38 117.61 1lts n GLN 3 Ca 0.12 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.00 56.69 1lts n GLN 3 Cb 0.51 -0.97 -0.10 0.00 1.02 0.00 0.00 30.24 30.70 1lts n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lts s THR 4 N -1.49 0.01 0.33 5.09 -4.23 -1.26 -5.04 115.64 109.05 1lts s THR 4 Ca 0.05 -1.93 0.24 0.00 -1.18 0.00 0.00 61.69 58.88 1lts s THR 4 Cb 0.07 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.74 1lts s THR 4 CO 0.27 -0.06 1.96 -0.29 -0.54 0.00 0.00 174.62 175.97 1lts h ILE 5 N 2.62 0.67 0.13 2.99 2.10 -1.95 -2.35 117.51 121.72 1lts h ILE 5 Ca -0.35 -0.82 -0.29 0.00 1.08 0.00 0.00 64.86 64.48 1lts h ILE 5 Cb 1.24 1.52 0.02 0.00 -1.09 0.00 0.00 36.82 38.51 1lts h ILE 5 CO 0.52 0.19 -1.25 0.71 -1.08 0.00 0.00 178.15 177.24 1lts h THR 6 N 0.00 1.33 -0.02 2.19 1.35 -1.99 0.46 112.91 116.24 1lts h THR 6 Ca -0.00 -2.60 -0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1lts h THR 6 Cb 0.50 2.76 -0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1lts h THR 6 CO 0.02 0.78 0.01 -0.33 -0.25 0.00 0.00 175.52 175.75 1lts h GLU 7 N 0.22 0.02 -0.56 4.72 5.08 -1.94 -2.58 114.58 119.54 1lts h GLU 7 Ca -0.18 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1lts h GLU 7 Cb 1.93 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 1lts h GLU 7 CO 0.23 0.15 0.30 1.25 -1.00 0.00 0.00 179.01 179.94 1lts h LEU 8 N -0.11 0.71 -0.97 1.33 6.46 -1.35 -2.88 115.31 118.49 1lts h LEU 8 Ca 0.01 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1lts h LEU 8 Cb 0.14 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 1lts h LEU 8 CO -0.00 0.60 0.63 0.00 -0.62 0.00 0.00 178.44 179.05 1lts h SER 10 N 1.15 0.00 0.73 0.00 0.02 -1.23 -2.11 113.55 112.10 1lts h SER 10 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1lts h SER 10 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1lts h SER 10 CO -0.17 0.00 -0.00 -0.62 -1.14 0.00 0.00 176.83 174.90 1lts n GLU 11 N -2.76 0.27 -4.13 3.45 1.02 -0.53 -4.86 120.64 113.10 1lts n GLU 11 Ca -0.02 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1lts n GLU 11 Cb 0.06 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1lts n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lts s TYR 12 N -2.73 3.00 0.22 -0.32 1.51 -0.80 -5.09 117.35 113.15 1lts s TYR 12 Ca 0.23 -0.04 -0.19 0.00 -1.01 0.00 0.00 57.07 56.06 1lts s TYR 12 Cb 0.20 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1lts s TYR 12 CO 0.49 0.50 0.72 1.03 -1.11 0.00 0.00 175.55 177.17 1lts s ARG 13 N -2.56 4.23 -0.84 -0.62 0.52 -1.26 -4.26 118.95 114.15 1lts s ARG 13 Ca 0.27 0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 56.27 1lts s ARG 13 Cb -0.11 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.50 1lts s ARG 13 CO 0.19 0.39 0.73 0.09 0.02 0.00 0.00 175.30 176.72 1lts n ASN 14 N 0.69 -4.72 -4.37 0.23 4.13 -1.26 -4.94 115.26 105.01 1lts n ASN 14 Ca -0.02 -0.33 -0.20 0.00 1.68 0.00 0.00 54.58 55.70 1lts n ASN 14 Cb 0.51 -3.31 -0.10 0.00 -1.54 0.00 0.00 39.78 35.34 1lts n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lts s THR 15 N -3.19 1.93 0.07 3.41 -4.23 -1.26 -0.23 115.64 112.14 1lts s THR 15 Ca 0.36 -2.21 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1lts s THR 15 Cb -0.16 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.65 1lts s THR 15 CO 0.45 -0.50 0.41 0.00 -0.54 0.00 0.00 174.62 174.44 1lts s GLN 16 N -3.45 0.96 -0.08 3.99 -2.07 -0.78 -4.86 119.66 113.35 1lts s GLN 16 Ca 0.23 -0.46 -0.14 0.00 -1.82 0.00 0.00 55.36 53.17 1lts s GLN 16 Cb -0.03 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1lts s GLN 16 CO 0.09 -0.34 0.34 0.42 -1.32 0.00 0.00 175.29 174.48 1lts s ILE 17 N -2.83 5.20 -0.27 3.63 -1.09 -1.26 -2.07 121.20 122.51 1lts s ILE 17 Ca -0.03 0.68 -0.07 0.00 -2.23 0.00 0.00 60.65 59.00 1lts s ILE 17 Cb -0.00 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1lts s ILE 17 CO -0.05 0.49 0.07 -0.31 -1.23 0.00 0.00 174.94 173.91 1lts s TYR 18 N -0.35 3.11 -0.30 3.97 2.02 -0.08 -4.97 117.35 120.74 1lts s TYR 18 Ca 0.21 -0.70 -0.28 0.00 -0.37 0.00 0.00 57.07 55.92 1lts s TYR 18 Cb -0.15 -2.24 0.01 0.00 -0.40 0.00 0.00 41.96 39.18 1lts s TYR 18 CO 0.09 -0.47 1.04 0.99 -1.57 0.00 0.00 175.55 175.62 1lts s THR 19 N 1.56 4.58 -0.16 -0.71 2.01 -1.26 -0.73 115.64 120.92 1lts s THR 19 Ca 0.05 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.63 1lts s THR 19 Cb -0.16 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 1lts s THR 19 CO 0.03 -0.39 -0.31 -0.38 -0.69 0.00 0.00 174.62 172.88 1lts n ILE 20 N 5.71 1.34 -3.68 1.82 2.08 0.91 -4.98 119.36 122.56 1lts n ILE 20 Ca 0.11 0.18 -0.22 0.00 0.56 0.00 0.00 62.75 63.38 1lts n ILE 20 Cb 0.47 -2.26 0.04 0.00 -0.75 0.00 0.00 39.64 37.14 1lts n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lts n ASN 21 N -4.26 -1.80 -3.58 4.38 4.05 0.18 -4.96 115.26 109.26 1lts n ASN 21 Ca -0.12 -0.78 -0.08 0.00 0.45 0.00 0.00 54.58 54.05 1lts n ASN 21 Cb 0.46 -4.21 -0.02 0.00 1.23 0.00 0.00 39.78 37.23 1lts n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lts s ASP 22 N -4.22 -0.36 0.65 1.20 2.15 -0.71 -4.91 116.67 110.47 1lts s ASP 22 Ca 0.09 -0.17 -0.11 0.00 0.43 0.00 0.00 52.55 52.79 1lts s ASP 22 Cb -0.04 0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 1lts s ASP 22 CO 0.80 -0.85 1.04 -1.59 -0.17 0.00 0.00 175.17 174.40 1lts s LYS 23 N -3.40 3.26 0.17 4.34 -2.85 -1.26 -1.09 119.74 118.91 1lts s LYS 23 Ca 0.06 0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 55.30 1lts s LYS 23 Cb -0.02 -2.08 -0.08 0.00 -2.06 0.00 0.00 37.83 33.59 1lts s LYS 23 CO -0.05 -0.75 1.29 0.42 0.10 0.00 0.00 175.35 176.35 1lts s ILE 24 N -3.22 3.36 -0.12 3.79 1.01 -1.26 -4.73 121.20 120.03 1lts s ILE 24 Ca 0.56 1.09 -0.20 0.00 0.00 0.00 0.00 60.65 62.10 1lts s ILE 24 Cb -0.11 -3.70 -0.26 0.00 0.01 0.00 0.00 42.46 38.40 1lts s ILE 24 CO 0.52 0.15 0.59 0.25 0.00 0.00 0.00 174.94 176.44 1lts h LEU 25 N 5.68 0.26 -8.24 2.97 5.85 -0.92 -3.48 115.31 117.42 1lts h LEU 25 Ca -0.44 -0.83 -0.17 0.00 0.84 0.00 0.00 57.88 57.28 1lts h LEU 25 Cb 1.21 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.00 1lts h LEU 25 CO 0.78 1.45 -0.69 -0.94 -0.34 0.00 0.00 178.44 178.70 1lts s SER 26 N -6.84 0.65 -0.06 1.25 1.04 -0.92 -4.95 113.70 103.86 1lts s SER 26 Ca -0.20 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1lts s SER 26 Cb 0.03 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1lts s SER 26 CO 0.73 -0.48 -0.06 -0.47 0.98 0.00 0.00 173.24 173.94 1lts s TYR 27 N -3.21 0.99 -0.06 5.02 6.14 -1.26 -2.01 117.35 122.95 1lts s TYR 27 Ca 0.03 -0.35 0.04 0.00 0.64 0.00 0.00 57.07 57.43 1lts s TYR 27 Cb 0.03 -0.86 0.00 0.00 0.42 0.00 0.00 41.96 41.55 1lts s TYR 27 CO -0.06 -0.28 -0.18 0.99 0.64 0.00 0.00 175.55 176.66 1lts s THR 28 N 1.16 1.50 -0.09 4.34 2.01 -0.36 -5.00 115.64 119.21 1lts s THR 28 Ca -0.07 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1lts s THR 28 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1lts s THR 28 CO -0.01 0.43 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.50 1lts s GLU 29 N 0.22 2.08 -0.08 4.92 2.12 -1.26 -0.81 118.70 125.89 1lts s GLU 29 Ca -0.09 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1lts s GLU 29 Cb -0.14 -1.74 -0.02 0.00 0.26 0.00 0.00 34.13 32.49 1lts s GLU 29 CO 0.04 -0.01 -0.14 0.45 -0.54 0.00 0.00 175.26 175.06 1lts s SER 30 N 0.83 4.04 -0.15 -1.70 0.15 -0.31 -4.98 113.70 111.59 1lts s SER 30 Ca -0.10 -0.23 0.16 0.00 0.70 0.00 0.00 55.95 56.47 1lts s SER 30 Cb -0.15 -1.12 0.51 0.00 -1.71 0.00 0.00 66.02 63.54 1lts s SER 30 CO 0.01 0.28 1.41 1.15 1.20 0.00 0.00 173.24 177.29 1lts n MET 31 N 2.73 2.97 -2.51 5.44 0.00 -1.26 -2.96 117.12 121.53 1lts n MET 31 Ca -0.18 -2.74 -0.41 0.00 0.00 0.00 0.00 57.70 54.38 1lts n MET 31 Cb 0.52 -1.77 -0.04 0.00 0.00 0.00 0.00 33.22 31.93 1lts n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lts s ALA 32 N -2.56 3.38 0.15 3.17 0.00 -1.26 -4.85 121.76 119.79 1lts s ALA 32 Ca 0.40 0.83 -0.34 0.00 0.00 0.00 0.00 51.96 52.85 1lts s ALA 32 Cb 0.31 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.94 1lts s ALA 32 CO 0.10 -0.18 1.34 0.41 0.00 0.00 0.00 175.76 177.43 1lts n GLY 33 N 1.81 0.52 3.39 0.00 0.00 -1.26 -1.10 105.19 108.54 1lts n GLY 33 Ca 0.02 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1lts n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lts n LYS 34 N 2.40 0.00 -2.60 1.61 4.76 -1.26 -4.81 118.16 118.26 1lts n LYS 34 Ca 0.16 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 1lts n LYS 34 Cb 0.24 -2.63 0.03 0.00 -1.84 0.00 0.00 35.03 30.82 1lts n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lts n ARG 35 N -2.00 1.95 -2.65 1.97 1.74 -0.26 -4.97 116.66 112.43 1lts n ARG 35 Ca 0.00 -3.65 -0.42 0.00 -0.77 0.00 0.00 57.85 53.00 1lts n ARG 35 Cb 0.00 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 1lts n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1lts s GLU 36 N -3.36 3.71 0.21 5.56 8.01 -1.18 -4.39 118.70 127.26 1lts s GLU 36 Ca 0.34 -1.52 -0.00 0.00 0.01 0.00 0.00 54.97 53.80 1lts s GLU 36 Cb 0.42 -5.31 -0.04 0.00 -4.31 0.00 0.00 34.13 24.90 1lts s GLU 36 CO -0.03 -2.12 0.14 0.00 0.01 0.00 0.00 175.26 173.27 1lts s MET 37 N 4.20 1.26 -0.01 1.61 0.23 -1.16 -4.34 119.30 121.09 1lts s MET 37 Ca 0.45 -1.67 0.07 0.00 -1.03 0.00 0.00 55.69 53.52 1lts s MET 37 Cb -0.00 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1lts s MET 37 CO -0.05 -0.42 -0.24 0.08 -2.03 0.00 0.00 175.02 172.37 1lts s VAL 38 N -4.09 1.87 -0.09 5.16 1.01 -1.22 -1.16 120.40 121.88 1lts s VAL 38 Ca 0.39 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1lts s VAL 38 Cb 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1lts s VAL 38 CO 0.14 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 1lts s ILE 39 N -0.60 1.52 0.05 2.22 1.01 0.01 -1.56 121.20 123.86 1lts s ILE 39 Ca 0.09 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1lts s ILE 39 Cb -0.09 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1lts s ILE 39 CO -0.00 0.44 -0.25 0.27 0.00 0.00 0.00 174.94 175.40 1lts s ILE 40 N 0.72 2.27 0.20 2.92 -4.36 0.23 -1.22 121.20 121.95 1lts s ILE 40 Ca -0.12 -1.39 0.09 0.00 -0.26 0.00 0.00 60.65 58.97 1lts s ILE 40 Cb -0.16 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1lts s ILE 40 CO 0.03 0.34 -0.19 0.42 0.24 0.00 0.00 174.94 175.78 1lts s THR 41 N -0.85 2.00 0.25 8.37 -4.23 -0.85 -1.01 115.64 119.32 1lts s THR 41 Ca 0.12 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.66 1lts s THR 41 Cb -0.10 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1lts s THR 41 CO 0.03 -0.35 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.26 1lts s PHE 42 N -2.23 2.00 0.41 3.99 0.08 -1.00 -0.19 117.98 121.04 1lts s PHE 42 Ca 0.20 -0.50 0.09 0.00 0.12 0.00 0.00 56.93 56.84 1lts s PHE 42 Cb -0.05 -0.95 0.87 0.00 -0.57 0.00 0.00 43.02 42.31 1lts s PHE 42 CO 0.09 0.49 2.01 -0.22 -0.10 0.00 0.00 175.22 177.48 1lts h LYS 43 N 2.38 0.36 0.00 0.44 1.63 -1.90 -1.01 116.57 118.47 1lts h LYS 43 Ca -0.39 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1lts h LYS 43 Cb 1.24 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1lts h LYS 43 CO 0.63 0.33 0.01 -1.13 -3.45 0.00 0.00 179.45 175.84 1lts n SER 44 N -4.40 0.00 0.00 4.20 3.41 -1.26 -4.86 113.62 110.71 1lts n SER 44 Ca 0.01 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1lts n SER 44 Cb 0.15 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1lts n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lts n GLY 45 N -1.42 0.19 3.82 5.00 0.00 -0.38 -5.09 105.19 107.31 1lts n GLY 45 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1lts n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lts s GLU 46 N -0.95 4.21 0.02 1.61 0.41 -1.25 -4.89 118.70 117.85 1lts s GLU 46 Ca 0.00 0.90 0.08 0.00 -0.41 0.00 0.00 54.97 55.55 1lts s GLU 46 Cb 0.00 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 1lts s GLU 46 CO 0.00 0.23 -0.25 0.99 -0.49 0.00 0.00 175.26 175.74 1lts s THR 47 N -1.80 2.21 0.05 3.63 2.01 -1.26 -2.36 115.64 118.12 1lts s THR 47 Ca 0.51 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1lts s THR 47 Cb -0.14 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1lts s THR 47 CO 0.19 0.45 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.15 1lts s PHE 48 N -0.74 0.60 0.24 4.92 0.08 -0.18 -4.12 117.98 118.78 1lts s PHE 48 Ca 0.11 -0.64 0.08 0.00 0.12 0.00 0.00 56.93 56.61 1lts s PHE 48 Cb -0.10 -0.37 -0.05 0.00 -0.57 0.00 0.00 43.02 41.92 1lts s PHE 48 CO 0.01 -0.15 -0.12 1.14 -0.10 0.00 0.00 175.22 176.01 1lts s GLN 49 N -2.19 1.47 -0.26 0.44 -2.07 -0.64 -0.60 119.66 115.81 1lts s GLN 49 Ca -0.06 -1.69 -0.06 0.00 -1.82 0.00 0.00 55.36 51.73 1lts s GLN 49 Cb -0.06 -1.23 -0.00 0.00 -1.09 0.00 0.00 33.01 30.63 1lts s GLN 49 CO -0.02 0.15 0.03 0.08 -1.32 0.00 0.00 175.29 174.21 1lts s VAL 50 N -2.92 3.80 0.58 3.63 1.01 -0.60 -1.05 120.40 124.85 1lts s VAL 50 Ca 0.26 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1lts s VAL 50 Cb 0.00 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1lts s VAL 50 CO 0.10 0.24 1.04 -0.62 0.00 0.00 0.00 175.10 175.86 1lts n GLU 51 N 4.85 1.07 -2.07 2.72 1.02 -1.26 -3.45 120.64 123.51 1lts n GLU 51 Ca -0.16 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 1lts n GLU 51 Cb 0.49 -2.23 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1lts n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lts s VAL 52 N -1.45 2.84 0.63 2.62 1.01 -1.26 -4.91 120.40 119.88 1lts s VAL 52 Ca 0.74 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 1lts s VAL 52 Cb -0.43 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1lts s VAL 52 CO 0.48 0.10 1.17 -2.84 0.00 0.00 0.00 175.10 174.01 1lts s PRO 53 N -0.12 2.82 0.00 2.72 0.02 -1.26 -4.94 135.00 134.23 1lts s PRO 53 Ca 0.60 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1lts s PRO 53 Cb -0.40 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1lts s PRO 53 CO 0.40 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 1lts n GLY 54 N 0.17 2.40 2.53 0.52 0.00 -1.26 -5.04 105.19 104.51 1lts n GLY 54 Ca 0.12 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1lts n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lts n SER 55 N 0.00 5.21 0.00 1.61 7.64 -1.26 -3.36 113.62 123.46 1lts n SER 55 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1lts n SER 55 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1lts n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lts n GLN 56 N -0.50 2.75 -3.82 1.43 3.00 -1.26 -5.03 117.38 113.95 1lts n GLN 56 Ca 0.42 -1.43 -0.21 0.00 -0.01 0.00 0.00 57.00 55.77 1lts n GLN 56 Cb 0.60 -0.99 -0.17 0.00 0.00 0.00 0.00 30.24 29.68 1lts n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lts s HIS 57 N -0.93 0.49 0.69 1.08 3.76 -1.21 -5.12 115.29 114.05 1lts s HIS 57 Ca 0.00 -0.06 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 1lts s HIS 57 Cb 0.00 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 33.05 1lts s HIS 57 CO 0.00 -0.25 1.07 0.96 -0.85 0.00 0.00 174.74 175.68 1lts s ILE 58 N 1.70 3.69 0.54 0.60 -4.36 -1.26 -4.86 121.20 117.24 1lts s ILE 58 Ca 0.00 0.62 0.29 0.00 -0.26 0.00 0.00 60.65 61.31 1lts s ILE 58 Cb -0.13 -3.22 0.34 0.00 1.25 0.00 0.00 42.46 40.70 1lts s ILE 58 CO -0.04 -0.64 2.20 0.44 0.24 0.00 0.00 174.94 177.14 1lts h ASP 59 N -0.53 0.00 -0.21 4.36 3.32 -2.00 0.12 116.42 121.48 1lts h ASP 59 Ca -0.45 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1lts h ASP 59 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1lts h ASP 59 CO 0.55 0.04 -0.38 -1.28 -1.72 0.00 0.00 179.24 176.44 1lts h SER 60 N 0.00 0.79 0.88 6.45 0.87 -2.02 -3.00 113.55 117.53 1lts h SER 60 Ca -0.00 -0.35 -0.10 0.00 -1.23 0.00 0.00 61.79 60.10 1lts h SER 60 Cb 0.11 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1lts h SER 60 CO 0.00 1.09 -0.49 1.56 -0.53 0.00 0.00 176.83 178.46 1lts h GLN 61 N 0.61 0.00 -0.60 2.24 4.20 -1.14 -2.93 115.11 117.49 1lts h GLN 61 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1lts h GLN 61 Cb 0.93 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1lts h GLN 61 CO 0.08 0.49 0.20 0.87 -0.67 0.00 0.00 178.83 179.80 1lts h LYS 62 N 0.00 0.93 -0.30 1.46 1.79 -1.31 0.22 116.57 119.36 1lts h LYS 62 Ca -0.00 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 1lts h LYS 62 Cb 1.06 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1lts h LYS 62 CO 0.06 0.82 0.09 0.87 -1.08 0.00 0.00 179.45 180.22 1lts h LYS 63 N 0.85 0.47 -0.67 3.15 1.79 -1.57 -2.79 116.57 117.80 1lts h LYS 63 Ca 0.20 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1lts h LYS 63 Cb 0.27 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1lts h LYS 63 CO -0.01 0.52 0.35 0.00 -1.08 0.00 0.00 179.45 179.23 1lts h ALA 64 N 0.93 1.36 -0.47 3.86 0.00 -1.29 -1.04 119.26 122.60 1lts h ALA 64 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1lts h ALA 64 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1lts h ALA 64 CO -0.00 0.52 0.15 0.82 0.00 0.00 0.00 179.25 180.73 1lts h ILE 65 N 0.93 1.22 -0.49 0.00 2.04 -0.52 -1.39 117.51 119.31 1lts h ILE 65 Ca 0.23 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1lts h ILE 65 Cb 0.05 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1lts h ILE 65 CO -0.04 0.27 -0.14 -0.33 0.00 0.00 0.00 178.15 177.91 1lts h GLU 66 N 0.62 0.93 -0.51 2.37 4.39 -1.16 -2.46 114.58 118.75 1lts h GLU 66 Ca 0.15 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1lts h GLU 66 Cb 0.26 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1lts h GLU 66 CO -0.01 1.01 0.25 -0.09 -1.16 0.00 0.00 179.01 179.02 1lts h ARG 67 N 0.83 0.74 -0.76 2.33 2.43 -0.88 -2.08 114.38 116.99 1lts h ARG 67 Ca 0.12 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1lts h ARG 67 Cb 0.69 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1lts h ARG 67 CO 0.05 0.61 0.47 1.98 -1.51 0.00 0.00 179.97 181.57 1lts h MET 68 N 0.69 1.02 -0.75 0.20 4.05 -1.05 0.63 114.93 119.71 1lts h MET 68 Ca 0.18 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1lts h MET 68 Cb 0.11 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 1lts h MET 68 CO -0.02 0.71 0.24 0.87 0.23 0.00 0.00 176.91 178.93 1lts h LYS 69 N 1.03 1.15 0.22 0.39 1.57 -1.24 -0.09 116.57 119.61 1lts h LYS 69 Ca 0.27 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1lts h LYS 69 Cb -0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1lts h LYS 69 CO -0.05 0.98 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.16 1lts h ASP 70 N 1.11 -0.54 -0.94 0.86 3.32 -0.63 -2.16 116.42 117.43 1lts h ASP 70 Ca 0.24 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.45 1lts h ASP 70 Cb 0.30 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 1lts h ASP 70 CO -0.01 -0.31 0.57 0.74 -1.72 0.00 0.00 179.24 178.52 1lts h THR 71 N -0.45 0.92 -0.01 0.35 2.02 -0.61 -2.45 112.91 112.68 1lts h THR 71 Ca -0.00 -0.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 1lts h THR 71 Cb 0.42 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1lts h THR 71 CO -0.04 0.17 -0.72 -0.07 0.37 0.00 0.00 175.52 175.23 1lts h LEU 72 N 0.93 0.09 -0.27 2.58 3.38 -0.88 -0.89 115.31 120.25 1lts h LEU 72 Ca 0.46 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 1lts h LEU 72 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1lts h LEU 72 CO -0.26 0.78 -0.13 -0.09 0.09 0.00 0.00 178.44 178.84 1lts h ARG 73 N 0.05 0.56 -0.47 1.13 2.43 -1.10 -1.76 114.38 115.23 1lts h ARG 73 Ca -0.01 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1lts h ARG 73 Cb 1.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1lts h ARG 73 CO 0.10 0.81 0.12 0.82 -1.51 0.00 0.00 179.97 180.31 1lts h ILE 74 N 0.29 1.23 -0.27 1.20 2.04 -1.24 -0.69 117.51 120.09 1lts h ILE 74 Ca 0.06 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 1lts h ILE 74 Cb 0.64 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1lts h ILE 74 CO 0.04 0.29 -0.25 0.71 0.00 0.00 0.00 178.15 178.94 1lts h THR 75 N 0.62 1.27 0.12 -0.27 1.35 -1.12 -1.29 112.91 113.59 1lts h THR 75 Ca 0.15 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 1lts h THR 75 Cb 0.32 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1lts h THR 75 CO 0.00 0.41 -0.06 0.22 -0.25 0.00 0.00 175.52 175.84 1lts h TYR 76 N 0.45 -0.15 0.00 4.73 3.20 -1.16 -0.94 116.97 123.10 1lts h TYR 76 Ca 0.07 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1lts h TYR 76 Cb 0.68 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1lts h TYR 76 CO 0.02 0.17 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.59 1lts h LEU 77 N -0.49 0.00 -2.90 2.82 3.38 -0.84 -2.40 115.31 114.88 1lts h LEU 77 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lts h LEU 77 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1lts h LEU 77 CO 0.03 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1lts n THR 78 N -4.24 1.21 -3.92 0.22 -2.24 -0.51 -4.95 114.28 99.85 1lts n THR 78 Ca -0.03 -1.09 -0.31 0.00 -2.27 0.00 0.00 64.05 60.35 1lts n THR 78 Cb 0.14 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1lts n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lts n GLU 79 N 0.93 -2.99 -2.51 -0.78 1.02 -0.68 -4.92 120.64 110.71 1lts n GLU 79 Ca 0.19 0.36 -0.40 0.00 -0.02 0.00 0.00 57.16 57.28 1lts n GLU 79 Cb 0.59 -5.06 -0.05 0.00 -0.02 0.00 0.00 31.44 26.91 1lts n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lts s THR 80 N -3.10 3.56 -0.07 2.62 2.01 -0.45 -4.81 115.64 115.40 1lts s THR 80 Ca 0.62 1.57 -0.26 0.00 0.31 0.00 0.00 61.69 63.93 1lts s THR 80 Cb -0.34 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1lts s THR 80 CO 0.76 0.37 0.83 -0.54 -0.69 0.00 0.00 174.62 175.36 1lts s LYS 81 N -1.42 4.45 0.06 4.92 1.02 -1.26 -4.38 119.74 123.12 1lts s LYS 81 Ca 0.44 1.10 -0.22 0.00 0.02 0.00 0.00 55.97 57.31 1lts s LYS 81 Cb -0.31 -3.48 -0.06 0.00 -0.52 0.00 0.00 37.83 33.46 1lts s LYS 81 CO 0.40 -0.07 0.65 0.42 -0.92 0.00 0.00 175.35 175.83 1lts s ILE 82 N 1.19 4.73 -0.01 2.17 1.01 -0.25 -4.54 121.20 125.51 1lts s ILE 82 Ca 0.43 1.38 -0.00 0.00 0.00 0.00 0.00 60.65 62.45 1lts s ILE 82 Cb -0.19 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1lts s ILE 82 CO 0.20 0.47 -0.01 -0.78 0.00 0.00 0.00 174.94 174.82 1lts h ASP 83 N 5.08 0.00 -4.29 3.58 3.58 -1.25 0.77 116.42 123.89 1lts h ASP 83 Ca -0.47 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.62 1lts h ASP 83 Cb 1.21 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.07 1lts h ASP 83 CO 0.67 0.05 -0.75 -0.54 -2.88 0.00 0.00 179.24 175.79 1lts s LYS 84 N -1.07 0.89 -0.05 0.28 1.02 -1.21 -0.07 119.74 119.53 1lts s LYS 84 Ca -0.01 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 54.87 1lts s LYS 84 Cb 0.00 -0.68 -0.00 0.00 -0.52 0.00 0.00 37.83 36.63 1lts s LYS 84 CO 0.01 0.12 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.87 1lts s LEU 85 N -2.35 1.93 -0.21 3.17 1.43 0.09 -1.92 118.68 120.83 1lts s LEU 85 Ca 0.05 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1lts s LEU 85 Cb -0.04 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1lts s LEU 85 CO 0.01 0.16 0.08 0.00 0.23 0.00 0.00 176.35 176.84 1lts s VAL 87 N 0.74 1.03 -0.28 0.00 -7.23 -0.88 -0.48 120.40 113.30 1lts s VAL 87 Ca 0.04 -1.60 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 1lts s VAL 87 Cb -0.13 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 1lts s VAL 87 CO 0.02 -0.48 0.80 0.26 -0.31 0.00 0.00 175.10 175.38 1lts s TRP 88 N -2.21 3.25 -1.79 2.82 0.51 -0.27 -1.87 118.94 119.38 1lts s TRP 88 Ca 0.05 0.95 0.18 0.00 -2.12 0.00 0.00 56.10 55.15 1lts s TRP 88 Cb -0.04 -3.13 0.55 0.00 -0.81 0.00 0.00 33.47 30.04 1lts s TRP 88 CO 0.01 -0.48 1.45 0.27 -0.51 0.00 0.00 176.95 177.69 1lts n ASN 89 N 6.10 3.45 -1.90 2.95 0.23 0.68 -2.26 115.26 124.51 1lts n ASN 89 Ca 0.04 -2.10 -0.18 0.00 -0.53 0.00 0.00 54.58 51.81 1lts n ASN 89 Cb 0.48 -0.44 0.11 0.00 -2.08 0.00 0.00 39.78 37.85 1lts n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lts n ASN 90 N 1.17 4.23 -4.16 0.53 2.04 -1.26 -4.89 115.26 112.92 1lts n ASN 90 Ca 0.21 -3.17 -0.12 0.00 -0.44 0.00 0.00 54.58 51.06 1lts n ASN 90 Cb 0.58 -0.79 -0.10 0.00 -2.53 0.00 0.00 39.78 36.93 1lts n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1lts s LYS 91 N -2.37 0.81 -0.21 -3.83 -0.14 -1.25 -5.06 119.74 107.69 1lts s LYS 91 Ca 0.41 -1.24 -0.01 0.00 -1.36 0.00 0.00 55.97 53.77 1lts s LYS 91 Cb 0.34 -0.28 0.06 0.00 -1.68 0.00 0.00 37.83 36.27 1lts s LYS 91 CO 0.06 0.01 -0.02 0.99 -0.76 0.00 0.00 175.35 175.62 1lts s THR 92 N -3.17 1.14 0.84 2.17 2.01 -1.26 -2.53 115.64 114.83 1lts s THR 92 Ca 0.08 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 1lts s THR 92 Cb 0.02 -1.47 0.09 0.00 0.01 0.00 0.00 72.50 71.15 1lts s THR 92 CO -0.03 -0.11 1.09 -2.16 -0.69 0.00 0.00 174.62 172.73 1lts s PRO 93 N 1.58 1.74 0.44 4.92 0.04 -1.26 -5.07 135.00 137.39 1lts s PRO 93 Ca -0.03 1.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 1lts s PRO 93 Cb -0.18 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1lts s PRO 93 CO -0.07 -1.98 1.05 0.09 0.04 0.00 0.00 177.00 176.13 1lts n ASN 94 N -3.74 1.43 -4.78 6.66 5.03 -1.05 -4.55 115.26 114.25 1lts n ASN 94 Ca 0.08 1.02 -0.36 0.00 0.87 0.00 0.00 54.58 56.20 1lts n ASN 94 Cb 0.54 -1.38 -0.08 0.00 -1.02 0.00 0.00 39.78 37.84 1lts n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lts s SER 95 N -0.76 5.83 -0.07 6.41 0.15 -0.96 -1.62 113.70 122.68 1lts s SER 95 Ca 0.64 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 1lts s SER 95 Cb -0.53 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1lts s SER 95 CO 0.56 0.39 1.12 -0.63 1.20 0.00 0.00 173.24 175.89 1lts s ILE 96 N -0.95 4.46 -0.23 6.45 1.01 -0.21 -1.12 121.20 130.61 1lts s ILE 96 Ca 0.14 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.56 1lts s ILE 96 Cb -0.12 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 38.03 1lts s ILE 96 CO 0.03 0.01 -0.10 0.00 0.00 0.00 0.00 174.94 174.88 1lts n ALA 97 N 5.08 1.32 -3.21 9.38 0.00 0.37 -4.90 120.51 128.54 1lts n ALA 97 Ca 0.10 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1lts n ALA 97 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 1lts n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lts s ALA 98 N -2.53 -1.22 0.02 0.00 0.00 -0.98 -4.98 121.76 112.08 1lts s ALA 98 Ca -0.32 0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1lts s ALA 98 Cb 0.09 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1lts s ALA 98 CO 0.64 -0.71 -0.04 -1.50 0.00 0.00 0.00 175.76 174.14 1lts s ILE 99 N -3.79 0.23 0.06 0.00 2.07 -1.26 -1.37 121.20 117.14 1lts s ILE 99 Ca 0.03 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 1lts s ILE 99 Cb 0.00 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 1lts s ILE 99 CO -0.11 -0.23 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.63 1lts s SER 100 N -0.86 1.33 -0.01 4.50 1.04 -0.81 -5.00 113.70 113.90 1lts s SER 100 Ca -0.07 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1lts s SER 100 Cb -0.06 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1lts s SER 100 CO -0.00 -0.15 -0.03 -0.04 0.98 0.00 0.00 173.24 174.00 1lts s MET 101 N -1.81 0.28 0.00 4.02 1.00 -1.26 -0.79 119.30 120.75 1lts s MET 101 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 55.69 55.59 1lts s MET 101 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 34.83 34.43 1lts s MET 101 CO 0.01 0.05 -0.14 0.21 0.00 0.00 0.00 175.02 175.15 1lts s LYS 102 N 0.04 1.12 0.00 2.03 2.20 -1.26 -4.94 119.74 118.93 1lts s LYS 102 Ca 0.00 -0.57 0.24 0.00 -0.36 0.00 0.00 55.97 55.28 1lts s LYS 102 Cb -0.03 -1.10 0.23 0.00 -1.51 0.00 0.00 37.83 35.43 1lts s LYS 102 CO -0.00 0.30 1.28 -1.71 -0.36 0.00 0.00 175.35 174.85