#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lts n PRO 2 N 0.00 0.48 -0.00 0.00 -0.02 -1.26 -4.98 135.00 129.21 1lts n PRO 2 Ca 0.00 0.22 0.05 0.00 -2.02 0.00 0.00 63.50 61.75 1lts n PRO 2 Cb 0.00 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 1lts n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lts n GLN 3 N -2.21 0.67 -4.30 -0.52 6.02 -1.26 -4.97 117.38 110.81 1lts n GLN 3 Ca 0.13 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1lts n GLN 3 Cb 0.50 -1.18 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 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 -2.55 1.07 0.29 5.09 -4.23 -1.26 -5.05 115.64 109.00 1lts s THR 4 Ca -0.03 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1lts s THR 4 Cb 0.06 -2.19 0.10 0.00 1.34 0.00 0.00 72.50 71.82 1lts s THR 4 CO 0.38 -0.46 1.77 -0.29 -0.54 0.00 0.00 174.62 175.48 1lts h ILE 5 N 2.57 1.24 -0.59 2.99 2.10 -1.97 -0.99 117.51 122.87 1lts h ILE 5 Ca -0.38 -1.06 -0.05 0.00 1.08 0.00 0.00 64.86 64.46 1lts h ILE 5 Cb 1.21 1.09 -0.02 0.00 -1.09 0.00 0.00 36.82 38.01 1lts h ILE 5 CO 0.64 0.35 0.18 0.74 -1.08 0.00 0.00 178.15 178.98 1lts h THR 6 N 0.55 1.24 -0.46 2.19 2.02 -1.98 0.20 112.91 116.66 1lts h THR 6 Ca 0.10 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 1lts h THR 6 Cb 0.51 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1lts h THR 6 CO 0.03 0.31 0.05 -0.33 0.37 0.00 0.00 175.52 175.95 1lts h GLU 7 N 0.83 0.78 -0.30 6.66 5.08 -1.87 -1.51 114.58 124.25 1lts h GLU 7 Ca 0.19 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1lts h GLU 7 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1lts h GLU 7 CO -0.01 0.81 0.17 1.25 -1.00 0.00 0.00 179.01 180.23 1lts h LEU 8 N 0.64 0.27 -1.64 1.33 6.46 -0.97 -3.07 115.31 118.33 1lts h LEU 8 Ca 0.14 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1lts h LEU 8 Cb 0.43 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1lts h LEU 8 CO 0.01 0.20 -0.17 0.00 -0.62 0.00 0.00 178.44 177.86 1lts n SER 10 N -4.33 0.38 0.00 0.00 3.41 -0.61 -2.70 113.62 109.76 1lts n SER 10 Ca -0.02 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.06 1lts n SER 10 Cb 0.24 -0.09 0.70 0.00 -0.26 0.00 0.00 64.21 64.80 1lts n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lts n GLU 11 N -0.93 0.53 -4.39 4.33 1.02 -0.80 -4.87 120.64 115.53 1lts n GLU 11 Ca 0.17 0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 57.06 1lts n GLU 11 Cb 0.25 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.38 2.24 0.37 -0.32 1.51 -1.10 -5.12 117.35 112.55 1lts s TYR 12 Ca 0.30 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 1lts s TYR 12 Cb 0.18 -1.17 -0.07 0.00 -0.11 0.00 0.00 41.96 40.79 1lts s TYR 12 CO 0.37 0.39 0.73 1.03 -1.11 0.00 0.00 175.55 176.96 1lts s ARG 13 N -2.33 3.80 -1.29 -0.62 0.52 -1.26 -4.24 118.95 113.54 1lts s ARG 13 Ca 0.16 0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.77 1lts s ARG 13 Cb -0.09 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 32.94 1lts s ARG 13 CO 0.07 0.05 0.61 0.09 0.02 0.00 0.00 175.30 176.14 1lts n ASN 14 N -1.02 -5.50 -4.66 0.23 5.03 -1.26 -4.97 115.26 103.10 1lts n ASN 14 Ca 0.02 -0.28 -0.24 0.00 0.87 0.00 0.00 54.58 54.95 1lts n ASN 14 Cb 0.54 -4.30 -0.08 0.00 -1.02 0.00 0.00 39.78 34.92 1lts n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lts s THR 15 N -3.12 2.94 -0.02 3.41 -4.23 -1.26 -0.71 115.64 112.65 1lts s THR 15 Ca 0.30 -1.88 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 1lts s THR 15 Cb -0.13 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1lts s THR 15 CO 0.37 -0.24 0.33 -1.58 -0.54 0.00 0.00 174.62 172.96 1lts s GLN 16 N -3.74 0.67 -0.12 3.99 0.74 0.83 -4.83 119.66 117.19 1lts s GLN 16 Ca 0.35 -0.12 -0.15 0.00 0.05 0.00 0.00 55.36 55.49 1lts s GLN 16 Cb -0.02 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.34 1lts s GLN 16 CO 0.20 -0.18 0.36 0.42 -0.55 0.00 0.00 175.29 175.54 1lts s ILE 17 N -1.20 5.24 -0.15 -2.34 -1.09 -1.26 -0.39 121.20 120.00 1lts s ILE 17 Ca -0.12 0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 58.95 1lts s ILE 17 Cb -0.05 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1lts s ILE 17 CO 0.04 0.41 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.82 1lts s TYR 18 N 0.24 3.06 -0.12 3.97 1.51 0.52 -4.96 117.35 121.57 1lts s TYR 18 Ca 0.20 -0.20 -0.20 0.00 -1.01 0.00 0.00 57.07 55.86 1lts s TYR 18 Cb -0.14 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1lts s TYR 18 CO 0.07 0.04 0.58 0.99 -1.11 0.00 0.00 175.55 176.13 1lts s THR 19 N 0.22 5.10 -0.15 -0.71 2.01 -1.26 -1.65 115.64 119.20 1lts s THR 19 Ca -0.01 1.17 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 1lts s THR 19 Cb -0.14 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 1lts s THR 19 CO 0.02 0.25 -0.26 -0.38 -0.69 0.00 0.00 174.62 173.56 1lts n ILE 20 N 3.95 1.31 -3.65 1.82 2.08 0.99 -4.98 119.36 120.88 1lts n ILE 20 Ca -0.04 -0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.05 1lts n ILE 20 Cb 0.51 -2.00 0.05 0.00 -0.75 0.00 0.00 39.64 37.45 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 -4.10 -1.94 -3.50 4.38 5.15 -0.07 -4.96 115.26 110.22 1lts n ASN 21 Ca -0.24 -0.75 -0.11 0.00 -0.60 0.00 0.00 54.58 52.88 1lts n ASN 21 Cb 0.56 -4.35 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 1lts n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lts s ASP 22 N -4.22 -0.49 0.57 1.20 2.15 -0.78 -4.90 116.67 110.20 1lts s ASP 22 Ca 0.09 -0.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.91 1lts s ASP 22 Cb -0.04 0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1lts s ASP 22 CO 0.79 -0.97 0.90 -1.59 -0.17 0.00 0.00 175.17 174.13 1lts s LYS 23 N -3.67 3.20 0.17 4.34 -2.85 -1.26 -0.37 119.74 119.30 1lts s LYS 23 Ca 0.03 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.89 1lts s LYS 23 Cb -0.02 -2.26 -0.08 0.00 -2.06 0.00 0.00 37.83 33.41 1lts s LYS 23 CO -0.09 -0.56 1.21 0.42 0.10 0.00 0.00 175.35 176.44 1lts s ILE 24 N -2.97 3.57 -0.14 3.79 1.01 -1.26 -4.71 121.20 120.49 1lts s ILE 24 Ca 0.52 1.29 -0.25 0.00 0.00 0.00 0.00 60.65 62.21 1lts s ILE 24 Cb -0.11 -3.83 -0.25 0.00 0.01 0.00 0.00 42.46 38.29 1lts s ILE 24 CO 0.47 0.19 0.63 0.25 0.00 0.00 0.00 174.94 176.48 1lts h LEU 25 N 5.43 0.09 -8.09 2.97 5.85 -1.26 -3.48 115.31 116.82 1lts h LEU 25 Ca -0.44 -0.86 -0.16 0.00 0.84 0.00 0.00 57.88 57.25 1lts h LEU 25 Cb 1.21 -0.03 -0.19 0.00 0.37 0.00 0.00 40.66 42.02 1lts h LEU 25 CO 0.76 1.22 -0.70 -0.94 -0.34 0.00 0.00 178.44 178.44 1lts s SER 26 N -6.54 0.39 -0.09 1.25 1.04 -1.20 -4.99 113.70 103.57 1lts s SER 26 Ca -0.21 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1lts s SER 26 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1lts s SER 26 CO 0.69 -0.39 -0.15 -0.47 0.98 0.00 0.00 173.24 173.90 1lts s TYR 27 N -2.28 1.78 -0.06 5.02 6.14 -1.26 -2.12 117.35 124.56 1lts s TYR 27 Ca -0.08 -0.74 0.04 0.00 0.64 0.00 0.00 57.07 56.93 1lts s TYR 27 Cb -0.04 -1.28 -0.00 0.00 0.42 0.00 0.00 41.96 41.06 1lts s TYR 27 CO -0.04 -0.37 -0.19 0.99 0.64 0.00 0.00 175.55 176.58 1lts s THR 28 N 0.77 1.63 -0.08 4.34 2.01 -0.22 -4.99 115.64 119.10 1lts s THR 28 Ca -0.12 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1lts s THR 28 Cb -0.16 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.96 1lts s THR 28 CO 0.02 0.46 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.58 1lts s GLU 29 N 0.20 1.92 -0.09 4.92 2.12 -1.26 -1.14 118.70 125.37 1lts s GLU 29 Ca -0.10 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.80 1lts s GLU 29 Cb -0.14 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.62 1lts s GLU 29 CO 0.04 -0.01 -0.21 0.45 -0.54 0.00 0.00 175.26 174.99 1lts s SER 30 N 0.83 3.39 -0.10 -1.70 0.15 -0.15 -4.99 113.70 111.13 1lts s SER 30 Ca -0.11 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.23 1lts s SER 30 Cb -0.15 -1.22 0.45 0.00 -1.71 0.00 0.00 66.02 63.39 1lts s SER 30 CO 0.02 0.21 1.37 1.15 1.20 0.00 0.00 173.24 177.18 1lts n MET 31 N 3.22 3.00 -2.07 5.44 0.00 -1.26 -2.64 117.12 122.81 1lts n MET 31 Ca -0.18 -2.52 -0.42 0.00 0.00 0.00 0.00 57.70 54.59 1lts n MET 31 Cb 0.53 -1.61 -0.03 0.00 0.00 0.00 0.00 33.22 32.11 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 -1.98 3.65 0.05 3.17 0.00 -1.26 -4.82 121.76 120.57 1lts s ALA 32 Ca 0.35 1.24 -0.38 0.00 0.00 0.00 0.00 51.96 53.17 1lts s ALA 32 Cb 0.25 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.64 1lts s ALA 32 CO 0.13 -0.68 1.31 0.41 0.00 0.00 0.00 175.76 176.93 1lts n GLY 33 N 3.15 0.35 3.51 0.00 0.00 -1.26 0.02 105.19 110.95 1lts n GLY 33 Ca 0.10 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 2.47 -0.05 -2.51 1.61 5.02 -1.26 -4.80 118.16 118.63 1lts n LYS 34 Ca 0.19 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1lts n LYS 34 Cb 0.17 -3.63 0.03 0.00 -0.02 0.00 0.00 35.03 31.57 1lts n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lts n ARG 35 N -1.94 2.44 -2.61 1.97 5.12 0.10 -4.97 116.66 116.77 1lts n ARG 35 Ca 0.00 -3.83 -0.41 0.00 -1.93 0.00 0.00 57.85 51.68 1lts n ARG 35 Cb 0.01 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 1lts n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lts s GLU 36 N -3.54 3.35 0.23 5.56 8.01 -1.16 -4.23 118.70 126.91 1lts s GLU 36 Ca 0.38 -0.70 -0.11 0.00 0.01 0.00 0.00 54.97 54.55 1lts s GLU 36 Cb 0.39 -4.64 -0.01 0.00 -4.31 0.00 0.00 34.13 25.56 1lts s GLU 36 CO -0.03 -2.11 0.40 0.00 0.01 0.00 0.00 175.26 173.53 1lts s MET 37 N 5.12 1.44 -0.02 1.61 0.23 -1.08 -4.16 119.30 122.44 1lts s MET 37 Ca 0.37 -1.29 0.08 0.00 -1.03 0.00 0.00 55.69 53.82 1lts s MET 37 Cb -0.06 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 1lts s MET 37 CO 0.04 -0.58 -0.25 0.08 -2.03 0.00 0.00 175.02 172.29 1lts s VAL 38 N -4.03 1.97 -0.06 5.16 1.01 -1.23 -0.98 120.40 122.24 1lts s VAL 38 Ca 0.24 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1lts s VAL 38 Cb 0.01 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1lts s VAL 38 CO 0.08 0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.88 1lts s ILE 39 N -0.54 1.94 0.13 2.22 1.01 -0.29 -1.92 121.20 123.74 1lts s ILE 39 Ca 0.08 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.83 1lts s ILE 39 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1lts s ILE 39 CO -0.00 0.54 -0.22 0.27 0.00 0.00 0.00 174.94 175.52 1lts s ILE 40 N -0.04 1.91 0.11 2.92 -4.36 -0.82 -1.05 121.20 119.87 1lts s ILE 40 Ca -0.06 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1lts s ILE 40 Cb -0.14 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 1lts s ILE 40 CO 0.04 -0.07 -0.07 0.42 0.24 0.00 0.00 174.94 175.51 1lts s THR 41 N -1.31 0.76 0.31 8.37 -4.23 -0.90 -1.66 115.64 116.97 1lts s THR 41 Ca 0.11 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1lts s THR 41 Cb -0.09 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1lts s THR 41 CO 0.05 -0.84 -0.09 -0.36 -0.54 0.00 0.00 174.62 172.85 1lts s PHE 42 N -3.59 2.44 0.53 3.99 0.08 -0.32 -0.71 117.98 120.40 1lts s PHE 42 Ca 0.13 -0.39 0.19 0.00 0.12 0.00 0.00 56.93 56.98 1lts s PHE 42 Cb 0.05 -1.24 1.36 0.00 -0.57 0.00 0.00 43.02 42.61 1lts s PHE 42 CO -0.04 0.61 2.15 1.57 -0.10 0.00 0.00 175.22 179.42 1lts h LYS 43 N 2.04 0.00 0.00 0.44 2.10 -1.90 0.13 116.57 119.38 1lts h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1lts h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1lts h LYS 43 CO 0.64 0.00 0.41 0.66 -2.00 0.00 0.00 179.45 179.17 1lts h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.97 -3.45 113.55 119.84 1lts h SER 44 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1lts h SER 44 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1lts h SER 44 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1lts n GLY 45 N -1.26 0.73 3.75 -0.77 0.00 0.45 -5.07 105.19 103.03 1lts n GLY 45 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.73 4.51 -0.04 1.61 2.02 -1.25 -4.81 118.70 120.01 1lts s GLU 46 Ca 0.00 1.94 0.06 0.00 0.02 0.00 0.00 54.97 57.00 1lts s GLU 46 Cb 0.00 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1lts s GLU 46 CO 0.00 -0.02 -0.23 0.99 0.02 0.00 0.00 175.26 176.03 1lts s THR 47 N -0.69 1.83 0.10 3.63 2.01 -1.26 -1.17 115.64 120.09 1lts s THR 47 Ca 0.49 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1lts s THR 47 Cb -0.34 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1lts s THR 47 CO 0.42 0.52 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.43 1lts s PHE 48 N -0.28 0.92 0.20 4.92 0.08 -0.67 -4.05 117.98 119.10 1lts s PHE 48 Ca 0.02 -0.85 0.04 0.00 0.12 0.00 0.00 56.93 56.26 1lts s PHE 48 Cb -0.11 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 1lts s PHE 48 CO 0.01 -0.11 -0.06 1.14 -0.10 0.00 0.00 175.22 176.11 1lts s GLN 49 N -3.57 1.24 -0.29 0.44 -2.07 0.43 -1.93 119.66 113.90 1lts s GLN 49 Ca 0.10 -1.58 -0.07 0.00 -1.82 0.00 0.00 55.36 51.98 1lts s GLN 49 Cb 0.03 -0.68 0.00 0.00 -1.09 0.00 0.00 33.01 31.28 1lts s GLN 49 CO -0.04 -0.00 0.09 0.08 -1.32 0.00 0.00 175.29 174.10 1lts s VAL 50 N -3.33 4.08 0.75 3.63 1.01 -0.81 -0.69 120.40 125.04 1lts s VAL 50 Ca 0.23 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1lts s VAL 50 Cb 0.04 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1lts s VAL 50 CO 0.05 0.11 1.09 -1.83 0.00 0.00 0.00 175.10 174.52 1lts s GLU 51 N 1.53 2.40 0.20 2.72 -1.05 -1.26 -3.57 118.70 119.66 1lts s GLU 51 Ca 0.03 1.17 -0.31 0.00 -0.15 0.00 0.00 54.97 55.72 1lts s GLU 51 Cb -0.17 -1.91 -0.10 0.00 -0.44 0.00 0.00 34.13 31.50 1lts s GLU 51 CO 0.03 -1.54 1.57 0.08 0.95 0.00 0.00 175.26 176.35 1lts s VAL 52 N -2.85 2.49 0.27 1.83 1.01 -1.26 -4.93 120.40 116.97 1lts s VAL 52 Ca 0.62 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1lts s VAL 52 Cb -0.17 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 1lts s VAL 52 CO 0.54 0.04 1.45 -2.65 0.00 0.00 0.00 175.10 174.48 1lts n PRO 53 N 3.53 2.26 -0.68 2.72 -0.02 -1.26 -4.90 135.00 136.65 1lts n PRO 53 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1lts n PRO 53 Cb 0.38 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1lts n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lts n GLY 54 N 1.96 1.95 0.17 -1.23 0.00 -1.26 -5.09 105.19 101.70 1lts n GLY 54 Ca 0.10 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1lts n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lts h SER 55 N 0.00 0.63 0.00 1.61 0.02 -2.02 -3.13 113.55 110.65 1lts h SER 55 Ca 0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1lts h SER 55 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1lts h SER 55 CO 0.00 1.12 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 1lts n GLN 56 N -4.26 0.00 -4.86 3.45 0.00 -1.26 -4.59 117.38 105.86 1lts n GLN 56 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.60 1lts n GLN 56 Cb 0.56 -1.48 -0.14 0.00 0.00 0.00 0.00 30.24 29.18 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 -1.53 2.74 0.53 2.61 3.76 -1.18 -5.11 115.29 117.11 1lts s HIS 57 Ca 0.00 -0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 54.26 1lts s HIS 57 Cb 0.00 -1.75 -0.07 0.00 1.11 0.00 0.00 32.58 31.87 1lts s HIS 57 CO 0.00 -0.08 1.00 0.96 -0.85 0.00 0.00 174.74 175.77 1lts s ILE 58 N -0.06 4.41 0.33 0.60 -4.36 -1.26 -4.93 121.20 115.93 1lts s ILE 58 Ca -0.03 1.14 0.12 0.00 -0.26 0.00 0.00 60.65 61.62 1lts s ILE 58 Cb -0.14 -3.67 0.32 0.00 1.25 0.00 0.00 42.46 40.23 1lts s ILE 58 CO 0.04 -0.68 1.71 -0.78 0.24 0.00 0.00 174.94 175.47 1lts h ASP 59 N 0.77 0.61 0.81 4.36 1.82 -1.97 -0.01 116.42 122.82 1lts h ASP 59 Ca -0.47 0.15 -0.06 0.00 -0.39 0.00 0.00 57.03 56.26 1lts h ASP 59 Cb 1.19 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 1lts h ASP 59 CO 0.61 0.03 -0.29 0.77 -1.61 0.00 0.00 179.24 178.74 1lts h SER 60 N 0.49 0.00 1.04 2.28 4.64 -2.04 -2.76 113.55 117.19 1lts h SER 60 Ca 0.67 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.97 1lts h SER 60 Cb 1.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1lts h SER 60 CO -0.50 0.29 -0.12 1.56 -0.87 0.00 0.00 176.83 177.18 1lts h GLN 61 N 0.00 0.00 -0.53 4.77 4.20 -1.36 -3.28 115.11 118.91 1lts h GLN 61 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1lts h GLN 61 Cb 0.78 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1lts h GLN 61 CO 0.04 0.12 0.15 0.87 -0.67 0.00 0.00 178.83 179.34 1lts h LYS 62 N 0.00 0.79 0.00 1.46 6.56 -1.53 0.19 116.57 124.04 1lts h LYS 62 Ca -0.00 -0.15 -0.10 0.00 -1.06 0.00 0.00 60.65 59.34 1lts h LYS 62 Cb 0.68 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1lts h LYS 62 CO 0.02 0.70 -0.47 1.57 -2.06 0.00 0.00 179.45 179.21 1lts h LYS 63 N 0.77 0.00 -0.02 3.15 2.10 -1.77 -2.96 116.57 117.84 1lts h LYS 63 Ca 0.17 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.68 1lts h LYS 63 Cb 0.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 1lts h LYS 63 CO -0.01 0.47 -0.66 0.00 -2.00 0.00 0.00 179.45 177.25 1lts h ALA 64 N 1.53 0.86 -0.35 0.07 0.00 -1.23 -1.08 119.26 119.07 1lts h ALA 64 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1lts h ALA 64 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1lts h ALA 64 CO 0.06 0.80 0.14 0.82 0.00 0.00 0.00 179.25 181.08 1lts h ILE 65 N 0.06 1.19 -0.40 0.00 2.04 -0.59 -0.99 117.51 118.81 1lts h ILE 65 Ca -0.01 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1lts h ILE 65 Cb 1.18 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1lts h ILE 65 CO 0.09 0.20 0.06 -0.33 0.00 0.00 0.00 178.15 178.18 1lts h GLU 66 N 0.42 0.67 -0.85 2.37 4.39 -1.36 -1.77 114.58 118.45 1lts h GLU 66 Ca 0.12 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1lts h GLU 66 Cb 0.18 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1lts h GLU 66 CO -0.01 0.72 0.53 -0.09 -1.16 0.00 0.00 179.01 179.00 1lts h ARG 67 N 0.52 1.14 -0.49 2.33 2.43 -1.02 -2.10 114.38 117.18 1lts h ARG 67 Ca 0.12 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1lts h ARG 67 Cb 0.37 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1lts h ARG 67 CO 0.01 0.79 0.11 1.98 -1.51 0.00 0.00 179.97 181.34 1lts h MET 68 N 1.16 0.75 -0.22 0.20 4.05 -0.67 -0.01 114.93 120.19 1lts h MET 68 Ca 0.31 -0.15 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 1lts h MET 68 Cb -0.08 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1lts h MET 68 CO -0.06 0.68 -0.42 0.87 0.23 0.00 0.00 176.91 178.22 1lts h LYS 69 N 0.72 0.52 -0.34 0.39 1.57 -1.01 -0.03 116.57 118.39 1lts h LYS 69 Ca 0.16 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1lts h LYS 69 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1lts h LYS 69 CO -0.00 0.85 0.12 -0.44 -0.57 0.00 0.00 179.45 179.41 1lts h ASP 70 N 0.43 0.48 -0.43 0.86 3.32 -0.68 -2.47 116.42 117.94 1lts h ASP 70 Ca 0.03 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1lts h ASP 70 Cb 0.91 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1lts h ASP 70 CO 0.08 0.54 0.26 0.74 -1.72 0.00 0.00 179.24 179.14 1lts h THR 71 N 0.40 1.14 -0.14 0.35 2.02 -0.74 -2.43 112.91 113.51 1lts h THR 71 Ca 0.11 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1lts h THR 71 Cb 0.22 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1lts h THR 71 CO -0.01 0.14 -0.22 -0.07 0.37 0.00 0.00 175.52 175.73 1lts h LEU 72 N 0.57 0.23 -0.12 2.58 3.38 -0.96 -0.35 115.31 120.64 1lts h LEU 72 Ca 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1lts h LEU 72 Cb -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1lts h LEU 72 CO -0.03 0.46 -0.22 -0.09 0.09 0.00 0.00 178.44 178.65 1lts h ARG 73 N 0.22 0.36 -0.04 1.13 2.43 -1.29 -2.01 114.38 115.18 1lts h ARG 73 Ca 0.04 -0.23 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 1lts h ARG 73 Cb 0.52 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1lts h ARG 73 CO 0.03 0.82 -0.70 0.97 -1.51 0.00 0.00 179.97 179.59 1lts h ILE 74 N -0.07 1.43 -0.48 1.20 2.10 -1.28 -2.14 117.51 118.27 1lts h ILE 74 Ca 0.01 -2.22 -0.00 0.00 1.08 0.00 0.00 64.86 63.72 1lts h ILE 74 Cb 0.80 2.17 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 1lts h ILE 74 CO 0.05 0.65 0.29 0.74 -1.08 0.00 0.00 178.15 178.80 1lts h THR 75 N 0.14 1.15 -0.42 2.19 2.02 -1.04 -1.70 112.91 115.24 1lts h THR 75 Ca -0.02 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1lts h THR 75 Cb 1.25 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1lts h THR 75 CO 0.11 0.15 0.18 0.22 0.37 0.00 0.00 175.52 176.55 1lts h TYR 76 N 0.64 0.63 -0.10 3.16 3.20 -1.18 -2.39 116.97 120.93 1lts h TYR 76 Ca 0.17 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1lts h TYR 76 Cb -0.01 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1lts h TYR 76 CO -0.03 0.54 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.52 1lts h LEU 77 N 0.53 0.26 -1.34 2.82 3.38 -1.18 -2.62 115.31 117.16 1lts h LEU 77 Ca 0.14 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1lts h LEU 77 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1lts h LEU 77 CO -0.01 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.54 1lts n THR 78 N -4.00 0.21 -3.04 0.22 -2.24 -0.66 -4.94 114.28 99.83 1lts n THR 78 Ca -0.02 -0.41 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1lts n THR 78 Cb 0.50 0.57 0.01 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.56 -3.63 -2.27 -0.78 1.02 -0.93 -4.97 120.64 109.63 1lts n GLU 79 Ca 0.17 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 1lts n GLU 79 Cb 0.40 -5.42 -0.03 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.97 3.05 0.27 2.62 2.01 -0.99 -4.77 115.64 114.87 1lts s THR 80 Ca 0.28 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 1lts s THR 80 Cb -0.14 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 1lts s THR 80 CO 0.34 0.20 0.97 -0.54 -0.69 0.00 0.00 174.62 174.90 1lts s LYS 81 N -1.85 4.73 -0.03 4.92 1.02 -1.26 -4.36 119.74 122.91 1lts s LYS 81 Ca 0.50 1.50 -0.14 0.00 0.02 0.00 0.00 55.97 57.86 1lts s LYS 81 Cb -0.35 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1lts s LYS 81 CO 0.45 0.38 0.36 0.42 -0.92 0.00 0.00 175.35 176.05 1lts s ILE 82 N -1.30 5.11 -0.02 2.17 1.01 0.50 -4.58 121.20 124.10 1lts s ILE 82 Ca 0.44 0.74 -0.00 0.00 0.00 0.00 0.00 60.65 61.83 1lts s ILE 82 Cb -0.25 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 1lts s ILE 82 CO 0.31 0.57 -0.01 -0.78 0.00 0.00 0.00 174.94 175.04 1lts h ASP 83 N 4.86 0.00 -4.97 3.58 3.58 -1.14 0.04 116.42 122.36 1lts h ASP 83 Ca -0.52 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.77 1lts h ASP 83 Cb 1.22 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.11 1lts h ASP 83 CO 0.62 0.10 -0.69 -0.54 -2.88 0.00 0.00 179.24 175.85 1lts s LYS 84 N -1.14 0.67 -0.03 0.28 1.02 -1.13 -0.01 119.74 119.41 1lts s LYS 84 Ca -0.01 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1lts s LYS 84 Cb 0.00 0.03 -0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1lts s LYS 84 CO 0.01 -0.07 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.72 1lts s LEU 85 N -2.81 1.90 -0.25 3.17 1.43 -0.66 -1.15 118.68 120.32 1lts s LEU 85 Ca 0.07 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 1lts s LEU 85 Cb 0.05 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1lts s LEU 85 CO -0.07 0.13 0.13 0.00 0.23 0.00 0.00 176.35 176.78 1lts s VAL 87 N 1.31 1.39 -0.20 0.00 -7.23 0.47 -0.67 120.40 115.48 1lts s VAL 87 Ca 0.06 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 1lts s VAL 87 Cb -0.14 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1lts s VAL 87 CO 0.06 -0.29 0.89 0.26 -0.31 0.00 0.00 175.10 175.71 1lts s TRP 88 N -1.71 3.38 -1.14 2.82 0.51 -0.12 -0.12 118.94 122.55 1lts s TRP 88 Ca 0.06 1.29 0.18 0.00 -2.12 0.00 0.00 56.10 55.50 1lts s TRP 88 Cb -0.07 -3.09 0.61 0.00 -0.81 0.00 0.00 33.47 30.11 1lts s TRP 88 CO 0.03 -0.33 1.53 0.27 -0.51 0.00 0.00 176.95 177.94 1lts n ASN 89 N 5.66 4.21 0.07 2.95 0.23 0.11 -2.45 115.26 126.04 1lts n ASN 89 Ca 0.07 -2.35 0.13 0.00 -0.53 0.00 0.00 54.58 51.90 1lts n ASN 89 Cb 0.48 -0.50 0.41 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.94 0.60 -4.44 0.53 0.23 -1.26 -4.89 115.26 106.97 1lts n ASN 90 Ca 0.23 0.46 -0.22 0.00 -0.53 0.00 0.00 54.58 54.52 1lts n ASN 90 Cb 0.76 -0.55 -0.10 0.00 -2.08 0.00 0.00 39.78 37.81 1lts n ASN 90 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1lts s LYS 91 N -3.08 1.58 -0.10 -3.83 -2.85 -1.26 -5.12 119.74 105.07 1lts s LYS 91 Ca 0.11 -1.80 0.03 0.00 -1.00 0.00 0.00 55.97 53.31 1lts s LYS 91 Cb 0.14 -1.21 0.01 0.00 -2.06 0.00 0.00 37.83 34.71 1lts s LYS 91 CO 0.60 0.05 -0.20 0.99 0.10 0.00 0.00 175.35 176.89 1lts s THR 92 N -2.97 1.82 0.65 3.79 2.01 -1.26 -2.72 115.64 116.95 1lts s THR 92 Ca 0.30 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1lts s THR 92 Cb 0.04 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1lts s THR 92 CO 0.12 0.50 1.28 -2.84 -0.69 0.00 0.00 174.62 172.99 1lts s PRO 93 N 0.61 2.55 0.46 4.92 0.02 -1.26 -5.07 135.00 137.22 1lts s PRO 93 Ca -0.13 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 62.66 1lts s PRO 93 Cb -0.17 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 1lts s PRO 93 CO 0.04 -1.59 1.07 0.09 -0.33 0.00 0.00 177.00 176.28 1lts n ASN 94 N -1.96 1.49 -4.79 2.53 5.03 -1.10 -4.47 115.26 111.98 1lts n ASN 94 Ca 0.15 1.01 -0.36 0.00 0.87 0.00 0.00 54.58 56.25 1lts n ASN 94 Cb 0.48 -1.40 -0.07 0.00 -1.02 0.00 0.00 39.78 37.77 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 -0.79 6.28 0.01 6.41 0.15 -1.03 -0.42 113.70 124.31 1lts s SER 95 Ca 0.65 0.33 -0.29 0.00 0.70 0.00 0.00 55.95 57.33 1lts s SER 95 Cb -0.52 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1lts s SER 95 CO 0.55 0.27 0.95 -0.63 1.20 0.00 0.00 173.24 175.59 1lts s ILE 96 N -0.21 4.82 -0.18 6.45 1.01 0.13 -0.95 121.20 132.27 1lts s ILE 96 Ca 0.11 2.00 0.08 0.00 0.00 0.00 0.00 60.65 62.84 1lts s ILE 96 Cb -0.11 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 37.90 1lts s ILE 96 CO 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 174.94 175.08 1lts n ALA 97 N 3.68 1.59 -3.46 9.38 0.00 0.16 -4.86 120.51 127.00 1lts n ALA 97 Ca 0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 1lts n ALA 97 Cb 0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.39 -1.65 0.00 0.00 0.00 -0.99 -4.98 121.76 111.75 1lts s ALA 98 Ca -0.17 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1lts s ALA 98 Cb 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1lts s ALA 98 CO 0.55 -0.53 -0.06 -1.50 0.00 0.00 0.00 175.76 174.21 1lts s ILE 99 N -2.29 0.47 0.07 0.00 2.07 -1.26 -0.80 121.20 119.46 1lts s ILE 99 Ca -0.06 -0.35 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 1lts s ILE 99 Cb -0.00 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1lts s ILE 99 CO 0.00 0.07 -0.14 -0.94 -1.91 0.00 0.00 174.94 172.02 1lts s SER 100 N -0.32 1.68 0.00 4.50 1.04 -0.30 -5.00 113.70 115.30 1lts s SER 100 Ca 0.01 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1lts s SER 100 Cb -0.03 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1lts s SER 100 CO -0.00 -0.06 -0.09 -0.04 0.98 0.00 0.00 173.24 174.03 1lts s MET 101 N -1.66 0.69 0.03 4.02 -1.94 -1.26 -0.58 119.30 118.59 1lts s MET 101 Ca -0.02 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1lts s MET 101 Cb -0.10 -0.66 -0.02 0.00 2.01 0.00 0.00 34.83 36.07 1lts s MET 101 CO 0.02 0.18 -0.07 -1.59 -0.01 0.00 0.00 175.02 173.55 1lts s LYS 102 N -0.36 0.47 0.00 2.03 -2.85 -1.26 -4.89 119.74 112.89 1lts s LYS 102 Ca 0.02 -0.60 0.13 0.00 -1.00 0.00 0.00 55.97 54.52 1lts s LYS 102 Cb -0.04 -0.27 0.10 0.00 -2.06 0.00 0.00 37.83 35.56 1lts s LYS 102 CO -0.00 0.05 0.90 -1.71 0.10 0.00 0.00 175.35 174.69