#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lta n PRO 2 N 0.00 1.41 -0.00 0.00 -0.04 -1.26 -4.96 135.00 130.14 1lta n PRO 2 Ca 0.00 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 1lta n PRO 2 Cb 0.00 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.13 1lta n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1lta n GLN 3 N -0.33 0.95 -4.18 0.54 6.02 -1.26 -4.95 117.38 114.17 1lta n GLN 3 Ca 0.10 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 1lta n GLN 3 Cb 0.42 -1.37 -0.10 0.00 1.02 0.00 0.00 30.24 30.21 1lta n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lta s THR 4 N -2.84 0.04 0.37 5.09 -4.23 -1.26 -5.03 115.64 107.77 1lta s THR 4 Ca 0.03 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1lta s THR 4 Cb 0.13 -2.32 0.12 0.00 1.34 0.00 0.00 72.50 71.77 1lta s THR 4 CO 0.74 -0.17 1.86 -0.29 -0.54 0.00 0.00 174.62 176.22 1lta h ILE 5 N 2.70 1.22 -0.33 2.99 2.10 -1.96 -1.63 117.51 122.60 1lta h ILE 5 Ca -0.35 -1.00 -0.05 0.00 1.08 0.00 0.00 64.86 64.54 1lta h ILE 5 Cb 1.23 1.37 -0.01 0.00 -1.09 0.00 0.00 36.82 38.32 1lta h ILE 5 CO 0.55 0.30 -0.00 0.74 -1.08 0.00 0.00 178.15 178.66 1lta h THR 6 N 0.19 1.26 -0.37 2.19 2.02 -1.99 -0.72 112.91 115.50 1lta h THR 6 Ca 0.03 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 1lta h THR 6 Cb 0.50 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1lta h THR 6 CO 0.03 0.31 0.06 -0.08 0.37 0.00 0.00 175.52 176.22 1lta h GLU 7 N 0.38 0.61 -0.75 6.66 4.81 -1.92 -2.51 114.58 121.86 1lta h GLU 7 Ca 0.09 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1lta h GLU 7 Cb 0.45 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1lta h GLU 7 CO 0.02 0.67 0.25 1.25 -0.73 0.00 0.00 179.01 180.47 1lta h LEU 8 N 0.45 1.09 -1.50 1.64 6.46 -1.15 -3.07 115.31 119.23 1lta h LEU 8 Ca 0.11 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1lta h LEU 8 Cb 0.36 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1lta h LEU 8 CO 0.01 1.00 0.05 0.00 -0.62 0.00 0.00 178.44 178.88 1lta n SER 10 N -4.38 0.61 -0.02 0.00 7.64 -1.00 -1.98 113.62 114.50 1lta n SER 10 Ca 0.01 0.61 0.15 0.00 1.01 0.00 0.00 58.87 60.65 1lta n SER 10 Cb 0.17 -0.76 0.70 0.00 -1.01 0.00 0.00 64.21 63.31 1lta n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lta n GLU 11 N -2.13 0.41 -4.43 1.43 1.02 -0.88 -4.82 120.64 111.23 1lta n GLU 11 Ca 0.04 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1lta n GLU 11 Cb 0.29 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 1lta n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lta s TYR 12 N -2.62 2.69 0.45 -0.32 1.51 -0.84 -5.11 117.35 113.11 1lta s TYR 12 Ca 0.26 -0.18 -0.16 0.00 -1.01 0.00 0.00 57.07 55.98 1lta s TYR 12 Cb 0.20 -1.47 -0.09 0.00 -0.11 0.00 0.00 41.96 40.49 1lta s TYR 12 CO 0.48 0.35 0.90 1.03 -1.11 0.00 0.00 175.55 177.20 1lta s ARG 13 N -1.77 4.00 -1.62 -0.62 0.52 -1.26 -4.05 118.95 114.15 1lta s ARG 13 Ca 0.18 0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 56.22 1lta s ARG 13 Cb -0.11 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.13 1lta s ARG 13 CO 0.09 -0.11 0.46 0.09 0.02 0.00 0.00 175.30 175.85 1lta n ASN 14 N -1.12 -6.07 -4.75 0.23 4.13 -1.26 -4.96 115.26 101.47 1lta n ASN 14 Ca 0.06 -0.22 -0.23 0.00 1.68 0.00 0.00 54.58 55.87 1lta n ASN 14 Cb 0.54 -4.94 -0.06 0.00 -1.54 0.00 0.00 39.78 33.78 1lta n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lta s THR 15 N -3.15 3.08 -0.10 3.41 -4.23 -1.26 -0.32 115.64 113.09 1lta s THR 15 Ca 0.23 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1lta s THR 15 Cb -0.10 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.80 1lta s THR 15 CO 0.28 -0.18 0.67 -1.58 -0.54 0.00 0.00 174.62 173.27 1lta s GLN 16 N -3.87 0.98 -0.00 3.99 0.74 -0.38 -4.86 119.66 116.26 1lta s GLN 16 Ca 0.38 0.40 -0.07 0.00 0.05 0.00 0.00 55.36 56.12 1lta s GLN 16 Cb -0.03 0.47 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 1lta s GLN 16 CO 0.23 -0.27 0.27 0.42 -0.55 0.00 0.00 175.29 175.39 1lta s ILE 17 N -0.84 5.30 -0.10 -2.34 -1.09 -1.26 -1.65 121.20 119.22 1lta s ILE 17 Ca -0.09 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1lta s ILE 17 Cb -0.01 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1lta s ILE 17 CO 0.08 0.39 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.77 1lta s TYR 18 N -1.27 1.53 -0.31 3.97 1.51 -0.21 -4.97 117.35 117.61 1lta s TYR 18 Ca 0.26 -0.71 -0.21 0.00 -1.01 0.00 0.00 57.07 55.41 1lta s TYR 18 Cb -0.13 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1lta s TYR 18 CO 0.15 -0.45 0.65 0.99 -1.11 0.00 0.00 175.55 175.78 1lta s THR 19 N 1.34 4.92 -0.17 -0.71 2.01 -1.26 -0.91 115.64 120.86 1lta s THR 19 Ca -0.02 0.89 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 1lta s THR 19 Cb -0.14 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 1lta s THR 19 CO -0.04 -0.16 -0.24 -0.38 -0.69 0.00 0.00 174.62 173.11 1lta n ILE 20 N 5.41 1.47 -3.71 1.82 2.08 0.12 -4.98 119.36 121.56 1lta n ILE 20 Ca -0.01 0.14 -0.31 0.00 0.56 0.00 0.00 62.75 63.13 1lta n ILE 20 Cb 0.49 -2.33 0.04 0.00 -0.75 0.00 0.00 39.64 37.09 1lta n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1lta n ASN 21 N -4.52 -4.64 -3.62 4.38 5.15 -0.42 -4.97 115.26 106.62 1lta n ASN 21 Ca -0.14 -1.01 -0.05 0.00 -0.60 0.00 0.00 54.58 52.78 1lta n ASN 21 Cb 0.43 -3.36 -0.02 0.00 -0.53 0.00 0.00 39.78 36.31 1lta n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lta s ASP 22 N -3.60 -0.23 0.54 1.20 2.15 -0.74 -4.92 116.67 111.07 1lta s ASP 22 Ca 0.41 -0.16 -0.11 0.00 0.43 0.00 0.00 52.55 53.12 1lta s ASP 22 Cb -0.15 0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 42.79 1lta s ASP 22 CO 0.86 -0.64 0.94 -1.59 -0.17 0.00 0.00 175.17 174.58 1lta s LYS 23 N -3.01 3.71 0.22 4.34 -2.85 -1.26 -0.80 119.74 120.09 1lta s LYS 23 Ca 0.09 0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 55.43 1lta s LYS 23 Cb -0.00 -2.19 -0.09 0.00 -2.06 0.00 0.00 37.83 33.48 1lta s LYS 23 CO -0.04 -0.35 1.35 0.42 0.10 0.00 0.00 175.35 176.83 1lta s ILE 24 N -2.84 3.01 -0.06 3.79 1.01 -1.26 -4.69 121.20 120.17 1lta s ILE 24 Ca 0.54 0.85 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 1lta s ILE 24 Cb -0.10 -3.54 -0.30 0.00 0.01 0.00 0.00 42.46 38.52 1lta s ILE 24 CO 0.43 0.13 0.71 0.25 0.00 0.00 0.00 174.94 176.47 1lta h LEU 25 N 5.20 0.52 -7.81 2.97 5.85 -0.62 -3.48 115.31 117.94 1lta h LEU 25 Ca -0.45 -0.90 -0.14 0.00 0.84 0.00 0.00 57.88 57.22 1lta h LEU 25 Cb 1.22 -0.17 -0.20 0.00 0.37 0.00 0.00 40.66 41.88 1lta h LEU 25 CO 0.77 1.62 -0.53 -0.94 -0.34 0.00 0.00 178.44 179.03 1lta s SER 26 N -7.16 0.08 -0.10 1.25 1.04 -0.91 -4.97 113.70 102.93 1lta s SER 26 Ca -0.16 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1lta s SER 26 Cb 0.04 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1lta s SER 26 CO 0.83 -0.39 -0.23 -0.47 0.98 0.00 0.00 173.24 173.95 1lta s TYR 27 N -1.62 2.53 -0.06 5.02 5.04 -1.26 -1.76 117.35 125.24 1lta s TYR 27 Ca -0.13 -1.05 0.03 0.00 -2.44 0.00 0.00 57.07 53.48 1lta s TYR 27 Cb -0.07 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.55 1lta s TYR 27 CO 0.00 -0.43 -0.15 0.99 -1.34 0.00 0.00 175.55 174.62 1lta s THR 28 N 0.38 1.33 -0.06 4.34 2.01 0.90 -4.99 115.64 119.56 1lta s THR 28 Ca -0.18 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1lta s THR 28 Cb -0.18 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1lta s THR 28 CO 0.08 0.39 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.54 1lta s GLU 29 N 0.36 1.90 0.01 4.92 2.12 -1.26 -1.03 118.70 125.72 1lta s GLU 29 Ca -0.10 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.72 1lta s GLU 29 Cb -0.14 -1.60 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 1lta s GLU 29 CO 0.04 0.18 -0.24 0.45 -0.54 0.00 0.00 175.26 175.15 1lta s SER 30 N 0.23 2.82 -0.11 -1.70 0.15 -0.05 -4.99 113.70 110.05 1lta s SER 30 Ca -0.08 -0.49 0.15 0.00 0.70 0.00 0.00 55.95 56.23 1lta s SER 30 Cb -0.13 -0.28 0.32 0.00 -1.71 0.00 0.00 66.02 64.22 1lta s SER 30 CO 0.03 0.26 1.22 1.15 1.20 0.00 0.00 173.24 177.11 1lta n MET 31 N 2.19 2.22 -2.00 5.44 0.00 -1.26 -2.42 117.12 121.30 1lta n MET 31 Ca -0.16 -2.45 -0.38 0.00 0.00 0.00 0.00 57.70 54.71 1lta n MET 31 Cb 0.52 -1.51 0.02 0.00 0.00 0.00 0.00 33.22 32.25 1lta n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lta s ALA 32 N -2.38 2.94 0.13 3.17 0.00 -1.26 -4.80 121.76 119.56 1lta s ALA 32 Ca 0.29 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1lta s ALA 32 Cb 0.24 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1lta s ALA 32 CO 0.06 -1.03 1.55 0.20 0.00 0.00 0.00 175.76 176.53 1lta s GLY 33 N -1.07 1.65 0.00 0.00 0.00 -1.26 -0.74 107.32 105.90 1lta s GLY 33 Ca 0.66 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.65 1lta s GLY 33 CO 0.43 2.63 0.00 0.28 0.00 0.00 0.00 173.10 176.44 1lta n LYS 34 N 4.36 0.00 -1.98 2.90 4.76 -1.26 -4.85 118.16 122.09 1lta n LYS 34 Ca 0.14 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1lta n LYS 34 Cb 0.40 -3.04 0.06 0.00 -1.84 0.00 0.00 35.03 30.61 1lta n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1lta n ARG 35 N -2.00 2.52 -2.34 1.97 5.12 0.08 -4.95 116.66 117.06 1lta n ARG 35 Ca 0.00 -3.69 -0.38 0.00 -1.93 0.00 0.00 57.85 51.85 1lta n ARG 35 Cb 0.00 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 1lta n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lta s GLU 36 N -3.31 3.02 0.21 5.56 8.01 -1.12 -4.18 118.70 126.89 1lta s GLU 36 Ca 0.41 -0.16 -0.22 0.00 0.01 0.00 0.00 54.97 55.00 1lta s GLU 36 Cb 0.38 -4.57 0.06 0.00 -4.31 0.00 0.00 34.13 25.69 1lta s GLU 36 CO -0.01 -2.49 0.92 0.00 0.01 0.00 0.00 175.26 173.69 1lta s MET 37 N 6.14 1.46 0.05 1.61 0.23 -1.01 -4.29 119.30 123.49 1lta s MET 37 Ca 0.51 -0.86 0.05 0.00 -1.03 0.00 0.00 55.69 54.36 1lta s MET 37 Cb -0.08 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 1lta s MET 37 CO 0.10 -0.68 -0.15 0.08 -2.03 0.00 0.00 175.02 172.34 1lta s VAL 38 N -2.99 1.22 -0.03 5.16 1.01 -1.25 -0.87 120.40 122.65 1lta s VAL 38 Ca 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1lta s VAL 38 Cb -0.03 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1lta s VAL 38 CO 0.05 -0.05 -0.03 -0.63 0.00 0.00 0.00 175.10 174.44 1lta s ILE 39 N -1.00 0.39 0.16 2.22 1.01 -0.20 -1.54 121.20 122.24 1lta s ILE 39 Ca 0.02 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.68 1lta s ILE 39 Cb -0.09 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1lta s ILE 39 CO 0.02 0.18 -0.20 0.27 0.00 0.00 0.00 174.94 175.21 1lta s ILE 40 N 0.74 1.91 0.02 2.92 -4.36 -0.36 -0.07 121.20 122.00 1lta s ILE 40 Ca -0.09 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1lta s ILE 40 Cb -0.12 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 1lta s ILE 40 CO -0.00 -0.24 -0.04 -0.89 0.24 0.00 0.00 174.94 174.01 1lta s THR 41 N -1.84 0.19 0.35 8.37 2.01 -0.72 -1.18 115.64 122.83 1lta s THR 41 Ca 0.15 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.51 1lta s THR 41 Cb -0.07 -0.29 -0.07 0.00 0.01 0.00 0.00 72.50 72.09 1lta s THR 41 CO 0.07 -0.34 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.22 1lta s PHE 42 N -1.08 2.39 0.25 4.92 0.08 -0.82 0.14 117.98 123.86 1lta s PHE 42 Ca -0.11 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.37 1lta s PHE 42 Cb -0.08 -1.43 0.50 0.00 -0.57 0.00 0.00 43.02 41.44 1lta s PHE 42 CO -0.00 0.54 1.74 -0.22 -0.10 0.00 0.00 175.22 177.17 1lta h LYS 43 N 2.00 0.49 0.00 0.44 1.63 -1.90 -1.25 116.57 117.97 1lta h LYS 43 Ca -0.42 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1lta h LYS 43 Cb 1.25 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1lta h LYS 43 CO 0.72 0.32 0.00 -1.13 -3.45 0.00 0.00 179.45 175.91 1lta n SER 44 N -4.96 0.00 0.00 4.20 3.41 -1.26 -4.84 113.62 110.18 1lta n SER 44 Ca 0.16 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1lta n SER 44 Cb 0.44 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1lta n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lta n GLY 45 N -0.74 0.85 3.77 5.00 0.00 -0.47 -5.06 105.19 108.54 1lta n GLY 45 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1lta n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lta s GLU 46 N -0.87 4.25 -0.02 1.61 0.41 -1.26 -4.86 118.70 117.96 1lta s GLU 46 Ca 0.00 1.84 0.03 0.00 -0.41 0.00 0.00 54.97 56.43 1lta s GLU 46 Cb 0.00 -2.84 -0.00 0.00 -1.78 0.00 0.00 34.13 29.51 1lta s GLU 46 CO 0.00 -0.15 -0.10 0.99 -0.49 0.00 0.00 175.26 175.51 1lta s THR 47 N -1.34 0.82 0.05 3.63 2.01 -1.26 -1.95 115.64 117.60 1lta s THR 47 Ca 0.53 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1lta s THR 47 Cb -0.31 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1lta s THR 47 CO 0.40 0.24 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.17 1lta s PHE 48 N -0.07 0.56 0.16 4.92 0.08 -0.32 -4.14 117.98 119.17 1lta s PHE 48 Ca 0.01 -0.89 0.08 0.00 0.12 0.00 0.00 56.93 56.25 1lta s PHE 48 Cb -0.06 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1lta s PHE 48 CO -0.00 -0.27 -0.17 1.14 -0.10 0.00 0.00 175.22 175.82 1lta s GLN 49 N -3.26 1.22 -0.24 0.44 -2.07 -0.57 -1.23 119.66 113.96 1lta s GLN 49 Ca 0.02 -1.39 -0.13 0.00 -1.82 0.00 0.00 55.36 52.04 1lta s GLN 49 Cb 0.03 -1.21 -0.04 0.00 -1.09 0.00 0.00 33.01 30.70 1lta s GLN 49 CO -0.06 0.24 0.28 0.08 -1.32 0.00 0.00 175.29 174.51 1lta s VAL 50 N -2.19 5.26 0.76 3.63 1.01 -0.59 -1.60 120.40 126.69 1lta s VAL 50 Ca 0.15 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1lta s VAL 50 Cb -0.05 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.77 1lta s VAL 50 CO 0.06 0.26 1.11 -1.61 0.00 0.00 0.00 175.10 174.92 1lta s GLU 51 N 1.48 2.20 0.30 2.72 2.02 -1.26 -3.81 118.70 122.34 1lta s GLU 51 Ca 0.13 1.33 -0.29 0.00 0.02 0.00 0.00 54.97 56.16 1lta s GLU 51 Cb -0.15 -1.88 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1lta s GLU 51 CO 0.08 -1.71 1.33 0.08 0.02 0.00 0.00 175.26 175.06 1lta s VAL 52 N -2.65 2.76 0.28 2.63 1.01 -1.26 -4.92 120.40 118.25 1lta s VAL 52 Ca 0.65 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1lta s VAL 52 Cb -0.20 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1lta s VAL 52 CO 0.52 0.15 1.26 -2.65 0.00 0.00 0.00 175.10 174.38 1lta n PRO 53 N 1.32 1.84 -1.29 2.72 -0.02 -1.26 -4.98 135.00 133.33 1lta n PRO 53 Ca 0.02 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1lta n PRO 53 Cb 0.42 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1lta n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lta n GLY 54 N 1.50 2.04 0.38 -1.23 0.00 -1.26 -5.03 105.19 101.59 1lta n GLY 54 Ca 0.09 -1.07 0.20 0.00 0.00 0.00 0.00 46.02 45.23 1lta n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lta h SER 55 N 0.17 0.00 0.99 1.61 0.02 -2.03 -1.78 113.55 112.52 1lta h SER 55 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1lta h SER 55 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1lta h SER 55 CO 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1lta n GLN 56 N -3.56 0.12 -3.74 3.45 3.00 -1.26 -4.73 117.38 110.66 1lta n GLN 56 Ca 0.06 0.20 -0.36 0.00 -0.01 0.00 0.00 57.00 56.89 1lta n GLN 56 Cb 0.60 -1.67 -0.10 0.00 0.00 0.00 0.00 30.24 29.07 1lta n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lta s HIS 57 N -3.10 3.24 0.59 1.08 3.76 -0.67 -5.07 115.29 115.12 1lta s HIS 57 Ca 0.10 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.93 1lta s HIS 57 Cb 0.13 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 1lta s HIS 57 CO 0.47 -0.04 1.01 -1.50 -0.85 0.00 0.00 174.74 173.83 1lta s ILE 58 N 1.15 4.68 0.47 0.60 1.10 -1.26 -4.88 121.20 123.05 1lta s ILE 58 Ca 0.06 0.93 0.15 0.00 -0.51 0.00 0.00 60.65 61.28 1lta s ILE 58 Cb -0.14 -3.83 0.21 0.00 0.15 0.00 0.00 42.46 38.85 1lta s ILE 58 CO 0.05 -1.03 2.04 0.44 -2.11 0.00 0.00 174.94 174.33 1lta h ASP 59 N 0.00 0.00 0.08 4.50 3.32 -1.97 0.31 116.42 122.66 1lta h ASP 59 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1lta h ASP 59 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1lta h ASP 59 CO 0.62 0.13 -0.00 0.77 -1.72 0.00 0.00 179.24 179.03 1lta h SER 60 N 0.00 0.00 1.17 6.45 4.64 -2.04 -2.93 113.55 120.84 1lta h SER 60 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1lta h SER 60 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1lta h SER 60 CO 0.02 0.00 -0.58 1.56 -0.87 0.00 0.00 176.83 176.95 1lta h GLN 61 N 0.00 0.00 -0.45 4.77 4.20 -1.29 -3.36 115.11 118.98 1lta h GLN 61 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1lta h GLN 61 Cb 0.04 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1lta h GLN 61 CO 0.00 0.58 0.15 0.87 -0.67 0.00 0.00 178.83 179.77 1lta h LYS 62 N 0.00 0.31 -0.22 1.46 1.57 -1.62 0.69 116.57 118.76 1lta h LYS 62 Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1lta h LYS 62 Cb 1.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1lta h LYS 62 CO 0.08 0.21 -0.31 0.87 -0.57 0.00 0.00 179.45 179.72 1lta h LYS 63 N 0.32 0.44 -0.18 3.15 1.57 -1.79 -2.88 116.57 117.19 1lta h LYS 63 Ca 0.21 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1lta h LYS 63 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1lta h LYS 63 CO -0.22 0.71 -0.36 0.00 -0.57 0.00 0.00 179.45 179.01 1lta h ALA 64 N 1.29 1.04 -0.61 3.86 0.00 -1.32 -2.13 119.26 121.39 1lta h ALA 64 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1lta h ALA 64 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1lta h ALA 64 CO 0.06 0.59 0.17 0.82 0.00 0.00 0.00 179.25 180.90 1lta h ILE 65 N 0.33 1.25 -0.13 0.00 2.04 -0.77 -1.76 117.51 118.47 1lta h ILE 65 Ca 0.04 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 1lta h ILE 65 Cb 0.80 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1lta h ILE 65 CO 0.06 0.33 -0.40 -0.33 0.00 0.00 0.00 178.15 177.80 1lta h GLU 66 N 0.87 0.29 -0.36 2.37 4.39 -1.26 -2.64 114.58 118.24 1lta h GLU 66 Ca 0.19 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1lta h GLU 66 Cb 0.31 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1lta h GLU 66 CO -0.00 0.65 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.34 1lta h ARG 67 N 0.24 0.68 -0.70 2.33 2.43 -1.02 -1.99 114.38 116.35 1lta h ARG 67 Ca 0.02 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1lta h ARG 67 Cb 0.82 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1lta h ARG 67 CO 0.07 0.83 0.43 1.98 -1.51 0.00 0.00 179.97 181.76 1lta h MET 68 N 0.48 0.95 0.00 0.20 4.05 -1.20 0.99 114.93 120.41 1lta h MET 68 Ca 0.09 -0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.29 1lta h MET 68 Cb 0.57 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1lta h MET 68 CO 0.03 0.66 -0.71 0.87 0.23 0.00 0.00 176.91 177.99 1lta h LYS 69 N 0.97 0.00 -0.30 0.39 1.57 -1.15 -1.35 116.57 116.70 1lta h LYS 69 Ca 0.25 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1lta h LYS 69 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1lta h LYS 69 CO -0.05 0.71 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.94 1lta h ASP 70 N 0.00 0.66 -0.46 0.86 3.32 -0.55 -2.32 116.42 117.93 1lta h ASP 70 Ca -0.01 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1lta h ASP 70 Cb 1.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1lta h ASP 70 CO 0.09 0.93 0.26 0.74 -1.72 0.00 0.00 179.24 179.55 1lta h THR 71 N 0.39 1.16 -0.64 0.35 2.02 -0.59 -2.55 112.91 113.04 1lta h THR 71 Ca 0.06 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1lta h THR 71 Cb 0.69 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1lta h THR 71 CO 0.05 0.16 0.14 -0.07 0.37 0.00 0.00 175.52 176.17 1lta h LEU 72 N 0.61 0.97 -0.07 2.58 3.38 -1.25 -0.76 115.31 120.77 1lta h LEU 72 Ca 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lta h LEU 72 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1lta h LEU 72 CO -0.03 0.95 0.04 -0.09 0.09 0.00 0.00 178.44 179.40 1lta h ARG 73 N 0.97 0.09 -0.45 1.13 2.43 -1.24 0.30 114.38 117.62 1lta h ARG 73 Ca 0.20 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1lta h ARG 73 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1lta h ARG 73 CO 0.00 0.14 0.28 0.82 -1.51 0.00 0.00 179.97 179.71 1lta h ILE 74 N 0.02 1.07 -0.68 1.20 2.04 -1.35 -0.47 117.51 119.33 1lta h ILE 74 Ca 0.02 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1lta h ILE 74 Cb 0.08 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1lta h ILE 74 CO -0.00 0.10 0.39 0.74 0.00 0.00 0.00 178.15 179.38 1lta h THR 75 N 0.56 1.20 0.12 -0.27 2.02 -0.92 -1.68 112.91 113.95 1lta h THR 75 Ca 0.18 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1lta h THR 75 Cb -0.01 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1lta h THR 75 CO -0.07 0.21 -0.06 0.22 0.37 0.00 0.00 175.52 176.20 1lta h TYR 76 N 0.92 -0.15 -0.15 3.16 3.20 -0.73 -1.74 116.97 121.47 1lta h TYR 76 Ca 0.24 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1lta h TYR 76 Cb 0.00 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1lta h TYR 76 CO -0.01 0.10 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.46 1lta h LEU 77 N -0.40 0.21 -2.29 2.82 3.38 -0.52 -2.06 115.31 116.45 1lta h LEU 77 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1lta h LEU 77 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1lta h LEU 77 CO 0.03 0.33 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1lta n THR 78 N -4.32 0.45 -3.48 0.22 -2.24 -0.68 -4.98 114.28 99.25 1lta n THR 78 Ca -0.01 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.80 1lta n THR 78 Cb 0.23 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1lta n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lta n GLU 79 N 1.49 -5.29 -2.50 -0.78 1.02 -0.78 -4.95 120.64 108.86 1lta n GLU 79 Ca 0.19 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 1lta n GLU 79 Cb 0.61 -5.58 -0.04 0.00 -0.02 0.00 0.00 31.44 26.42 1lta n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lta s THR 80 N -3.18 3.75 0.08 2.62 2.01 -0.72 -4.79 115.64 115.40 1lta s THR 80 Ca 0.49 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.75 1lta s THR 80 Cb -0.24 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 1lta s THR 80 CO 0.60 0.29 1.16 -0.75 -0.69 0.00 0.00 174.62 175.24 1lta s LYS 81 N -0.63 4.47 -0.08 4.92 2.20 -1.26 -4.38 119.74 124.99 1lta s LYS 81 Ca 0.48 1.74 -0.08 0.00 -0.36 0.00 0.00 55.97 57.75 1lta s LYS 81 Cb -0.30 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1lta s LYS 81 CO 0.36 -0.18 0.20 0.42 -0.36 0.00 0.00 175.35 175.80 1lta s ILE 82 N 0.79 5.40 -0.08 5.43 1.01 0.02 -4.43 121.20 129.35 1lta s ILE 82 Ca 0.56 0.30 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 1lta s ILE 82 Cb -0.29 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1lta s ILE 82 CO 0.30 0.57 -0.13 -0.67 0.00 0.00 0.00 174.94 175.02 1lta n ASP 83 N 1.82 0.96 -4.19 3.58 2.03 0.08 -1.30 116.55 119.54 1lta n ASP 83 Ca -0.18 0.33 -0.16 0.00 0.52 0.00 0.00 54.79 55.30 1lta n ASP 83 Cb 0.54 -0.66 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 1lta n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lta s LYS 84 N -1.79 0.88 -0.01 -0.67 1.02 -1.16 0.11 119.74 118.13 1lta s LYS 84 Ca -0.11 -1.12 0.08 0.00 0.02 0.00 0.00 55.97 54.84 1lta s LYS 84 Cb 0.01 -0.70 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 1lta s LYS 84 CO 0.16 0.13 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.97 1lta s LEU 85 N -2.26 2.07 -0.24 3.17 1.43 -0.09 -2.02 118.68 120.75 1lta s LEU 85 Ca 0.04 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1lta s LEU 85 Cb -0.05 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1lta s LEU 85 CO 0.01 0.28 0.09 0.00 0.23 0.00 0.00 176.35 176.97 1lta s VAL 87 N 1.34 0.80 -0.06 0.00 -7.23 -0.66 -0.21 120.40 114.38 1lta s VAL 87 Ca 0.05 -1.25 -0.27 0.00 -1.81 0.00 0.00 61.98 58.70 1lta s VAL 87 Cb -0.15 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 1lta s VAL 87 CO 0.04 -0.36 0.88 0.26 -0.31 0.00 0.00 175.10 175.62 1lta s TRP 88 N -1.52 3.57 -1.15 2.82 0.51 0.18 -1.25 118.94 122.11 1lta s TRP 88 Ca -0.05 1.48 0.18 0.00 -2.12 0.00 0.00 56.10 55.60 1lta s TRP 88 Cb -0.09 -3.03 0.71 0.00 -0.81 0.00 0.00 33.47 30.26 1lta s TRP 88 CO 0.01 -0.06 1.62 0.27 -0.51 0.00 0.00 176.95 178.28 1lta n ASN 89 N 4.27 4.70 -1.62 2.95 0.23 0.57 -2.22 115.26 124.14 1lta n ASN 89 Ca 0.04 -2.43 -0.14 0.00 -0.53 0.00 0.00 54.58 51.52 1lta n ASN 89 Cb 0.50 -0.57 0.17 0.00 -2.08 0.00 0.00 39.78 37.80 1lta n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lta n ASN 90 N 1.12 3.52 -3.92 0.53 6.94 -1.26 -4.90 115.26 117.28 1lta n ASN 90 Ca 0.26 -3.75 -0.10 0.00 -0.02 0.00 0.00 54.58 50.96 1lta n ASN 90 Cb 0.87 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.48 1lta n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lta s LYS 91 N -3.36 0.28 -0.13 -3.83 -0.14 -1.26 -5.08 119.74 106.22 1lta s LYS 91 Ca 0.50 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 1lta s LYS 91 Cb 0.44 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.69 1lta s LYS 91 CO 0.02 -0.05 -0.20 0.99 -0.76 0.00 0.00 175.35 175.35 1lta s THR 92 N -1.04 2.29 0.84 2.17 2.01 -1.26 -2.48 115.64 118.17 1lta s THR 92 Ca -0.11 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 1lta s THR 92 Cb -0.07 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1lta s THR 92 CO -0.00 0.54 0.39 -2.65 -0.69 0.00 0.00 174.62 172.21 1lta n PRO 93 N 3.85 0.02 -1.67 4.92 -0.02 -1.26 -5.04 135.00 135.81 1lta n PRO 93 Ca -0.19 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 60.93 1lta n PRO 93 Cb 0.52 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.23 1lta n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lta n ASN 94 N -0.50 2.02 -4.77 2.55 5.03 -1.03 -4.42 115.26 114.13 1lta n ASN 94 Ca 0.08 1.07 -0.38 0.00 0.87 0.00 0.00 54.58 56.22 1lta n ASN 94 Cb 0.52 -1.44 -0.06 0.00 -1.02 0.00 0.00 39.78 37.77 1lta n ASN 94 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1lta s SER 95 N -0.65 6.69 -0.07 6.41 0.01 -0.94 -1.51 113.70 123.63 1lta s SER 95 Ca 0.63 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 58.41 1lta s SER 95 Cb -0.52 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.40 1lta s SER 95 CO 0.57 0.15 1.76 -0.63 0.41 0.00 0.00 173.24 175.50 1lta s ILE 96 N -0.09 3.43 -0.15 1.44 1.01 -0.63 -0.65 121.20 125.57 1lta s ILE 96 Ca 0.23 0.51 -0.06 0.00 0.00 0.00 0.00 60.65 61.33 1lta s ILE 96 Cb -0.15 -3.36 -0.24 0.00 0.01 0.00 0.00 42.46 38.71 1lta s ILE 96 CO 0.10 -0.08 0.27 0.00 0.00 0.00 0.00 174.94 175.23 1lta n ALA 97 N 7.73 0.96 -3.25 9.38 0.00 0.70 -4.88 120.51 131.15 1lta n ALA 97 Ca 0.19 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1lta n ALA 97 Cb 0.43 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 1lta n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lta s ALA 98 N -2.54 -1.31 0.03 0.00 0.00 -1.03 -4.98 121.76 111.93 1lta s ALA 98 Ca -0.25 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1lta s ALA 98 Cb 0.07 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1lta s ALA 98 CO 0.73 -0.66 -0.09 -1.50 0.00 0.00 0.00 175.76 174.24 1lta s ILE 99 N -3.42 0.70 0.03 0.00 2.07 -1.26 -1.56 121.20 117.77 1lta s ILE 99 Ca -0.00 -0.83 0.04 0.00 -1.41 0.00 0.00 60.65 58.46 1lta s ILE 99 Cb 0.00 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 1lta s ILE 99 CO -0.10 -0.12 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.75 1lta s SER 100 N -1.05 1.53 0.01 4.50 1.04 -0.86 -5.00 113.70 113.87 1lta s SER 100 Ca -0.03 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1lta s SER 100 Cb -0.07 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1lta s SER 100 CO 0.01 0.04 -0.18 -0.04 0.98 0.00 0.00 173.24 174.04 1lta s MET 101 N -0.98 1.37 -0.03 4.02 -1.94 -1.26 -0.74 119.30 119.75 1lta s MET 101 Ca 0.01 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 1lta s MET 101 Cb -0.07 -1.39 0.01 0.00 2.01 0.00 0.00 34.83 35.39 1lta s MET 101 CO 0.01 0.37 -0.07 0.21 -0.01 0.00 0.00 175.02 175.53 1lta s LYS 102 N -0.78 0.85 0.00 2.03 2.20 -1.26 -4.90 119.74 117.87 1lta s LYS 102 Ca 0.06 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1lta s LYS 102 Cb -0.08 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 1lta s LYS 102 CO 0.00 0.05 0.00 0.09 -0.36 0.00 0.00 175.35 175.13