#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lta s PRO 2 N 0.00 0.84 0.00 0.00 0.02 -1.26 -4.97 135.00 129.62 1lta s PRO 2 Ca 0.00 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.50 1lta s PRO 2 Cb 0.00 -1.71 -0.00 0.00 0.02 0.00 0.00 34.50 32.80 1lta s PRO 2 CO 0.00 -2.73 0.19 1.04 -0.33 0.00 0.00 177.00 175.17 1lta n GLN 3 N -4.30 4.35 -3.79 5.54 6.02 -1.26 -5.01 117.38 118.94 1lta n GLN 3 Ca 0.11 -0.17 -0.10 0.00 -0.01 0.00 0.00 57.00 56.83 1lta n GLN 3 Cb 0.52 -0.69 -0.07 0.00 1.02 0.00 0.00 30.24 31.02 1lta n GLN 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lta s THR 4 N -0.78 0.12 0.31 5.09 2.01 -1.26 -5.05 115.64 116.08 1lta s THR 4 Ca 0.01 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1lta s THR 4 Cb 0.01 -1.22 0.11 0.00 0.01 0.00 0.00 72.50 71.41 1lta s THR 4 CO 0.03 -0.53 1.80 -0.29 -0.69 0.00 0.00 174.62 174.95 1lta h ILE 5 N 2.76 1.23 -0.33 1.82 2.10 -1.96 -2.01 117.51 121.11 1lta h ILE 5 Ca -0.34 -1.02 -0.10 0.00 1.08 0.00 0.00 64.86 64.48 1lta h ILE 5 Cb 1.21 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 1lta h ILE 5 CO 0.52 0.33 -0.22 0.71 -1.08 0.00 0.00 178.15 178.41 1lta h THR 6 N 0.45 1.27 0.39 2.19 1.35 -1.98 0.17 112.91 116.75 1lta h THR 6 Ca 0.08 -1.28 -0.02 0.00 -0.55 0.00 0.00 66.41 64.64 1lta h THR 6 Cb 0.49 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1lta h THR 6 CO 0.03 0.42 -0.19 -0.33 -0.25 0.00 0.00 175.52 175.20 1lta h GLU 7 N 0.57 -0.51 -0.86 4.72 5.08 -1.89 -1.47 114.58 120.22 1lta h GLU 7 Ca 0.08 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1lta h GLU 7 Cb 0.69 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1lta h GLU 7 CO 0.05 -0.22 0.55 1.25 -1.00 0.00 0.00 179.01 179.64 1lta h LEU 8 N -0.78 0.92 -0.67 1.33 6.46 -1.25 -2.56 115.31 118.76 1lta h LEU 8 Ca -0.05 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.57 1lta h LEU 8 Cb 0.53 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1lta h LEU 8 CO 0.09 0.63 -0.32 0.00 -0.62 0.00 0.00 178.44 178.22 1lta n SER 10 N -4.07 0.00 -0.25 0.00 3.41 -0.56 -2.51 113.62 109.64 1lta n SER 10 Ca -0.01 -0.07 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1lta n SER 10 Cb 0.48 -0.23 0.48 0.00 -0.26 0.00 0.00 64.21 64.68 1lta n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lta n GLU 11 N -1.23 1.33 -4.61 4.33 1.02 -0.89 -4.92 120.64 115.67 1lta n GLU 11 Ca 0.09 -0.50 -0.26 0.00 -0.02 0.00 0.00 57.16 56.47 1lta n GLU 11 Cb 0.12 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.91 1.92 0.58 -0.32 2.02 -1.04 -5.13 117.35 113.47 1lta s TYR 12 Ca 0.30 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.44 1lta s TYR 12 Cb 0.15 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1lta s TYR 12 CO 0.24 0.13 1.09 1.03 -1.57 0.00 0.00 175.55 176.47 1lta s ARG 13 N -1.37 3.27 -1.72 -0.62 0.52 -1.26 -3.99 118.95 113.79 1lta s ARG 13 Ca 0.08 1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 56.68 1lta s ARG 13 Cb -0.09 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1lta s ARG 13 CO 0.02 -0.87 0.08 0.09 0.02 0.00 0.00 175.30 174.64 1lta n ASN 14 N -1.75 -5.84 -4.77 0.23 5.03 -1.26 -4.95 115.26 101.95 1lta n ASN 14 Ca 0.10 -0.04 -0.22 0.00 0.87 0.00 0.00 54.58 55.29 1lta n ASN 14 Cb 0.52 -4.84 -0.05 0.00 -1.02 0.00 0.00 39.78 34.38 1lta n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lta s THR 15 N -3.04 3.65 -0.16 3.41 -4.23 -1.26 -0.38 115.64 113.63 1lta s THR 15 Ca 0.04 -1.59 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1lta s THR 15 Cb -0.02 -3.12 0.05 0.00 1.34 0.00 0.00 72.50 70.76 1lta s THR 15 CO 0.05 -0.27 0.53 -1.58 -0.54 0.00 0.00 174.62 172.80 1lta s GLN 16 N -3.84 0.69 -0.06 3.99 0.74 -0.04 -4.87 119.66 116.28 1lta s GLN 16 Ca 0.36 0.56 -0.21 0.00 0.05 0.00 0.00 55.36 56.12 1lta s GLN 16 Cb -0.06 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1lta s GLN 16 CO 0.24 -0.12 0.60 0.42 -0.55 0.00 0.00 175.29 175.87 1lta s ILE 17 N -0.12 5.03 -0.01 -2.34 -1.09 -1.26 -0.75 121.20 120.66 1lta s ILE 17 Ca -0.03 1.23 0.08 0.00 -2.23 0.00 0.00 60.65 59.69 1lta s ILE 17 Cb -0.03 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1lta s ILE 17 CO 0.02 0.34 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.52 1lta s TYR 18 N 0.35 2.38 -0.24 3.97 1.51 0.00 -4.96 117.35 120.36 1lta s TYR 18 Ca 0.32 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1lta s TYR 18 Cb -0.17 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1lta s TYR 18 CO 0.16 0.03 0.11 0.99 -1.11 0.00 0.00 175.55 175.72 1lta s THR 19 N -0.67 4.76 -0.26 -0.71 2.01 -1.26 -0.88 115.64 118.62 1lta s THR 19 Ca 0.11 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1lta s THR 19 Cb -0.10 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.05 1lta s THR 19 CO -0.00 0.34 -0.24 -0.38 -0.69 0.00 0.00 174.62 173.65 1lta n ILE 20 N 4.59 1.53 -4.19 1.82 2.08 -0.07 -4.99 119.36 120.14 1lta n ILE 20 Ca -0.16 -0.40 -0.33 0.00 0.56 0.00 0.00 62.75 62.42 1lta n ILE 20 Cb 0.52 -1.80 -0.06 0.00 -0.75 0.00 0.00 39.64 37.55 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 -4.04 -0.50 -3.83 4.38 5.15 -0.66 -4.95 115.26 110.80 1lta n ASN 21 Ca -0.50 -1.23 -0.08 0.00 -0.60 0.00 0.00 54.58 52.17 1lta n ASN 21 Cb 0.89 -1.91 -0.03 0.00 -0.53 0.00 0.00 39.78 38.21 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 -4.18 -0.25 0.41 1.20 2.15 -0.92 -4.90 116.67 110.18 1lta s ASP 22 Ca 0.12 -0.61 -0.09 0.00 0.43 0.00 0.00 52.55 52.40 1lta s ASP 22 Cb -0.06 0.66 -0.06 0.00 -0.30 0.00 0.00 42.92 43.16 1lta s ASP 22 CO 0.97 -1.22 0.76 -1.59 -0.17 0.00 0.00 175.17 173.92 1lta s LYS 23 N -3.92 3.74 0.17 4.34 -2.85 -1.26 -0.52 119.74 119.44 1lta s LYS 23 Ca 0.12 0.41 -0.31 0.00 -1.00 0.00 0.00 55.97 55.19 1lta s LYS 23 Cb -0.04 -2.40 -0.10 0.00 -2.06 0.00 0.00 37.83 33.23 1lta s LYS 23 CO 0.04 -0.04 1.51 0.42 0.10 0.00 0.00 175.35 177.37 1lta s ILE 24 N -2.40 2.77 -0.08 3.79 1.01 -1.26 -4.68 121.20 120.35 1lta s ILE 24 Ca 0.50 0.57 -0.17 0.00 0.00 0.00 0.00 60.65 61.55 1lta s ILE 24 Cb -0.10 -3.36 -0.29 0.00 0.01 0.00 0.00 42.46 38.71 1lta s ILE 24 CO 0.33 0.05 0.67 0.25 0.00 0.00 0.00 174.94 176.24 1lta h LEU 25 N 6.48 0.44 -7.99 2.97 5.85 -1.14 -3.48 115.31 118.44 1lta h LEU 25 Ca -0.43 -0.89 -0.16 0.00 0.84 0.00 0.00 57.88 57.25 1lta h LEU 25 Cb 1.21 -0.14 -0.20 0.00 0.37 0.00 0.00 40.66 41.90 1lta h LEU 25 CO 0.88 1.58 -0.66 -0.94 -0.34 0.00 0.00 178.44 178.96 1lta s SER 26 N -7.07 0.25 -0.09 1.25 1.04 -1.07 -4.98 113.70 103.03 1lta s SER 26 Ca -0.17 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.72 1lta s SER 26 Cb 0.04 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1lta s SER 26 CO 0.80 -0.37 -0.12 -0.47 0.98 0.00 0.00 173.24 174.05 1lta s TYR 27 N -1.95 1.63 -0.06 5.02 5.04 -1.26 -1.85 117.35 123.92 1lta s TYR 27 Ca -0.11 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 53.85 1lta s TYR 27 Cb -0.06 -1.23 -0.00 0.00 0.35 0.00 0.00 41.96 41.02 1lta s TYR 27 CO -0.02 -0.40 -0.19 0.99 -1.34 0.00 0.00 175.55 174.58 1lta s THR 28 N 1.03 1.62 -0.04 4.34 2.01 -0.46 -5.02 115.64 119.11 1lta s THR 28 Ca -0.07 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1lta s THR 28 Cb -0.15 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1lta s THR 28 CO -0.01 0.46 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.58 1lta s GLU 29 N 0.13 1.24 0.05 4.92 2.12 -1.26 -1.51 118.70 124.39 1lta s GLU 29 Ca -0.08 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.01 1lta s GLU 29 Cb -0.14 -1.10 -0.03 0.00 0.26 0.00 0.00 34.13 33.13 1lta s GLU 29 CO 0.04 0.05 -0.21 0.45 -0.54 0.00 0.00 175.26 175.05 1lta s SER 30 N 0.52 2.49 -0.05 -1.70 0.15 -0.77 -5.00 113.70 109.32 1lta s SER 30 Ca -0.09 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.10 1lta s SER 30 Cb -0.13 -0.20 0.11 0.00 -1.71 0.00 0.00 66.02 64.10 1lta s SER 30 CO 0.02 0.15 1.02 1.15 1.20 0.00 0.00 173.24 176.78 1lta n MET 31 N 1.79 1.92 -2.60 5.44 0.00 -1.26 -2.98 117.12 119.43 1lta n MET 31 Ca -0.17 -1.83 -0.37 0.00 0.00 0.00 0.00 57.70 55.33 1lta n MET 31 Cb 0.53 -1.13 -0.05 0.00 0.00 0.00 0.00 33.22 32.57 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 -1.61 3.19 -0.03 3.17 0.00 -1.26 -4.88 121.76 120.34 1lta s ALA 32 Ca 0.13 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.45 1lta s ALA 32 Cb 0.11 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 1lta s ALA 32 CO 0.01 -0.08 1.91 0.41 0.00 0.00 0.00 175.76 178.01 1lta n GLY 33 N 0.61 1.61 2.80 0.00 0.00 -1.26 -1.45 105.19 107.50 1lta n GLY 33 Ca 0.03 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1lta n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lta n LYS 34 N 6.84 -0.22 -2.64 1.61 5.02 -1.26 -4.87 118.16 122.64 1lta n LYS 34 Ca 0.21 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.38 1lta n LYS 34 Cb 0.34 -3.21 0.01 0.00 -0.02 0.00 0.00 35.03 32.15 1lta n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lta n ARG 35 N -2.01 2.16 -2.91 1.97 5.12 -0.53 -4.94 116.66 115.52 1lta n ARG 35 Ca 0.00 -3.85 -0.43 0.00 -1.93 0.00 0.00 57.85 51.64 1lta n ARG 35 Cb 0.05 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 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 -3.26 3.29 0.22 5.56 8.01 -1.20 -4.18 118.70 127.14 1lta s GLU 36 Ca 0.37 -1.23 -0.15 0.00 0.01 0.00 0.00 54.97 53.97 1lta s GLU 36 Cb 0.42 -4.50 0.01 0.00 -4.31 0.00 0.00 34.13 25.75 1lta s GLU 36 CO -0.07 -1.78 0.51 0.00 0.01 0.00 0.00 175.26 173.93 1lta s MET 37 N 3.42 1.46 0.03 1.61 0.23 -1.16 -4.37 119.30 120.52 1lta s MET 37 Ca 0.25 -1.05 0.07 0.00 -1.03 0.00 0.00 55.69 53.94 1lta s MET 37 Cb -0.13 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 1lta s MET 37 CO 0.02 -0.62 -0.21 0.08 -2.03 0.00 0.00 175.02 172.27 1lta s VAL 38 N -3.94 1.67 -0.05 5.16 1.01 -1.23 -1.86 120.40 121.16 1lta s VAL 38 Ca 0.15 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1lta s VAL 38 Cb -0.01 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1lta s VAL 38 CO 0.03 0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.68 1lta s ILE 39 N -0.70 1.00 0.11 2.22 1.01 -0.57 -1.08 121.20 123.19 1lta s ILE 39 Ca 0.08 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1lta s ILE 39 Cb -0.09 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1lta s ILE 39 CO 0.01 0.32 -0.17 0.27 0.00 0.00 0.00 174.94 175.36 1lta s ILE 40 N 0.49 1.49 0.15 2.92 -4.36 -0.49 -1.35 121.20 120.05 1lta s ILE 40 Ca -0.10 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 1lta s ILE 40 Cb -0.13 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1lta s ILE 40 CO 0.02 -0.20 -0.10 0.42 0.24 0.00 0.00 174.94 175.32 1lta s THR 41 N -1.48 1.16 0.25 8.37 -4.23 -0.77 -1.38 115.64 117.55 1lta s THR 41 Ca 0.06 -2.06 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1lta s THR 41 Cb -0.09 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1lta s THR 41 CO 0.04 -0.73 -0.20 -0.36 -0.54 0.00 0.00 174.62 172.83 1lta s PHE 42 N -3.33 2.19 0.38 3.99 0.08 -0.35 -0.52 117.98 120.40 1lta s PHE 42 Ca 0.17 -0.37 0.14 0.00 0.12 0.00 0.00 56.93 56.99 1lta s PHE 42 Cb 0.03 -0.99 0.99 0.00 -0.57 0.00 0.00 43.02 42.47 1lta s PHE 42 CO 0.01 0.61 1.80 0.87 -0.10 0.00 0.00 175.22 178.41 1lta h LYS 43 N 2.55 0.50 0.00 0.44 6.56 -1.90 0.11 116.57 124.82 1lta h LYS 43 Ca -0.41 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1lta h LYS 43 Cb 1.24 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1lta h LYS 43 CO 0.57 0.33 0.00 -1.13 -2.06 0.00 0.00 179.45 177.16 1lta n SER 44 N -4.63 0.00 0.00 0.86 3.41 -1.26 -4.86 113.62 107.14 1lta n SER 44 Ca 0.23 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1lta n SER 44 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.12 1.14 3.76 5.00 0.00 0.37 -5.04 105.19 110.54 1lta n GLY 45 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.61 4.49 -0.02 1.61 8.01 -1.25 -4.81 118.70 126.11 1lta s GLU 46 Ca 0.00 2.02 0.07 0.00 0.01 0.00 0.00 54.97 57.07 1lta s GLU 46 Cb 0.00 -3.12 -0.02 0.00 -4.31 0.00 0.00 34.13 26.68 1lta s GLU 46 CO 0.00 -0.00 -0.22 0.99 0.01 0.00 0.00 175.26 176.04 1lta s THR 47 N -1.15 1.76 0.05 3.63 2.01 -1.26 -1.22 115.64 119.46 1lta s THR 47 Ca 0.47 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1lta s THR 47 Cb -0.36 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1lta s THR 47 CO 0.47 0.50 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.50 1lta s PHE 48 N -0.44 0.54 0.13 4.92 0.08 -0.48 -4.08 117.98 118.66 1lta s PHE 48 Ca 0.06 -0.86 0.06 0.00 0.12 0.00 0.00 56.93 56.32 1lta s PHE 48 Cb -0.09 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1lta s PHE 48 CO -0.00 -0.26 -0.14 1.14 -0.10 0.00 0.00 175.22 175.85 1lta s GLN 49 N -3.10 1.08 -0.27 0.44 -2.07 -0.20 -1.39 119.66 114.15 1lta s GLN 49 Ca 0.01 -1.30 -0.13 0.00 -1.82 0.00 0.00 55.36 52.12 1lta s GLN 49 Cb 0.01 -0.96 -0.04 0.00 -1.09 0.00 0.00 33.01 30.93 1lta s GLN 49 CO -0.06 0.18 0.27 0.08 -1.32 0.00 0.00 175.29 174.44 1lta s VAL 50 N -2.26 5.25 0.62 3.63 1.01 -0.24 -1.21 120.40 127.20 1lta s VAL 50 Ca 0.11 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 1lta s VAL 50 Cb -0.04 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1lta s VAL 50 CO 0.04 0.22 0.97 -1.83 0.00 0.00 0.00 175.10 174.49 1lta s GLU 51 N 1.85 3.12 0.35 2.72 -1.05 -1.26 -3.51 118.70 120.92 1lta s GLU 51 Ca 0.11 0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 1lta s GLU 51 Cb -0.16 -2.17 -0.11 0.00 -0.44 0.00 0.00 34.13 31.25 1lta s GLU 51 CO 0.10 -0.71 1.51 0.08 0.95 0.00 0.00 175.26 177.19 1lta s VAL 52 N -3.11 2.08 0.30 1.83 1.01 -1.26 -4.95 120.40 116.30 1lta s VAL 52 Ca 0.55 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1lta s VAL 52 Cb -0.11 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 33.10 1lta s VAL 52 CO 0.49 0.02 1.36 -2.65 0.00 0.00 0.00 175.10 174.32 1lta n PRO 53 N 0.96 2.16 -2.91 2.72 -0.02 -1.26 -4.98 135.00 131.68 1lta n PRO 53 Ca 0.03 0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1lta n PRO 53 Cb 0.39 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.38 2.06 0.23 -1.23 0.00 -1.26 -5.02 105.19 101.34 1lta n GLY 54 Ca 0.07 -1.38 0.16 0.00 0.00 0.00 0.00 46.02 44.87 1lta n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lta h SER 55 N 1.22 0.00 0.34 1.61 4.64 -2.02 -0.51 113.55 118.82 1lta h SER 55 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1lta h SER 55 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1lta h SER 55 CO 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 1lta n GLN 56 N -2.70 0.50 -4.07 4.77 0.00 -1.26 -4.78 117.38 109.85 1lta n GLN 56 Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 57.00 56.69 1lta n GLN 56 Cb 0.20 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.40 3.19 0.77 2.61 3.76 -0.20 -5.10 115.29 117.91 1lta s HIS 57 Ca 0.29 -0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 1lta s HIS 57 Cb 0.18 -2.07 0.07 0.00 1.11 0.00 0.00 32.58 31.87 1lta s HIS 57 CO 0.37 0.07 1.12 0.96 -0.85 0.00 0.00 174.74 176.42 1lta s ILE 58 N 0.47 2.15 0.42 0.60 -4.36 -1.26 -4.87 121.20 114.35 1lta s ILE 58 Ca 0.02 -0.06 0.08 0.00 -0.26 0.00 0.00 60.65 60.43 1lta s ILE 58 Cb -0.13 -3.02 0.27 0.00 1.25 0.00 0.00 42.46 40.83 1lta s ILE 58 CO 0.01 -0.03 2.06 -0.78 0.24 0.00 0.00 174.94 176.44 1lta h ASP 59 N -0.90 0.43 0.70 4.36 1.82 -1.99 -2.41 116.42 118.43 1lta h ASP 59 Ca -0.45 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1lta h ASP 59 Cb 1.32 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 41.23 1lta h ASP 59 CO 0.64 0.31 -0.04 0.77 -1.61 0.00 0.00 179.24 179.31 1lta h SER 60 N 0.51 0.00 1.63 2.28 4.64 -2.04 -2.03 113.55 118.54 1lta h SER 60 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1lta h SER 60 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1lta h SER 60 CO -0.04 0.04 -0.15 1.56 -0.87 0.00 0.00 176.83 177.37 1lta h GLN 61 N 0.00 0.00 -0.25 4.77 4.20 -1.80 -3.32 115.11 118.71 1lta h GLN 61 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1lta h GLN 61 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1lta h GLN 61 CO 0.01 0.00 0.07 0.87 -0.67 0.00 0.00 178.83 179.11 1lta h LYS 62 N 0.00 0.39 0.00 1.46 6.56 -1.40 -0.79 116.57 122.79 1lta h LYS 62 Ca 0.00 -0.09 -0.09 0.00 -1.06 0.00 0.00 60.65 59.42 1lta h LYS 62 Cb 0.89 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1lta h LYS 62 CO 0.00 0.48 -0.41 0.87 -2.06 0.00 0.00 179.45 178.32 1lta h LYS 63 N 0.24 0.00 -0.13 3.15 1.57 -1.74 -3.17 116.57 116.49 1lta h LYS 63 Ca 0.08 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1lta h LYS 63 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1lta h LYS 63 CO -0.00 0.41 -0.39 0.00 -0.57 0.00 0.00 179.45 178.90 1lta h ALA 64 N 1.59 1.09 -0.62 3.86 0.00 -1.47 -2.17 119.26 121.54 1lta h ALA 64 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1lta h ALA 64 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1lta h ALA 64 CO 0.05 0.59 0.40 0.82 0.00 0.00 0.00 179.25 181.11 1lta h ILE 65 N 0.24 1.17 -0.44 0.00 2.04 -1.14 -1.66 117.51 117.71 1lta h ILE 65 Ca 0.02 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1lta h ILE 65 Cb 0.81 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1lta h ILE 65 CO 0.06 0.16 -0.04 -0.33 0.00 0.00 0.00 178.15 178.01 1lta h GLU 66 N 0.84 0.81 -0.64 2.37 4.39 -1.56 -2.17 114.58 118.61 1lta h GLU 66 Ca 0.23 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1lta h GLU 66 Cb -0.07 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1lta h GLU 66 CO -0.05 0.89 0.36 -0.09 -1.16 0.00 0.00 179.01 178.96 1lta h ARG 67 N 0.65 0.89 -0.56 2.33 2.43 -1.21 -2.16 114.38 116.73 1lta h ARG 67 Ca 0.12 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1lta h ARG 67 Cb 0.55 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1lta h ARG 67 CO 0.03 0.65 -0.04 1.98 -1.51 0.00 0.00 179.97 181.08 1lta h MET 68 N 0.90 1.02 -0.56 0.20 4.05 -1.12 -0.29 114.93 119.12 1lta h MET 68 Ca 0.23 -0.35 -0.10 0.00 -0.28 0.00 0.00 59.70 59.21 1lta h MET 68 Cb 0.02 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1lta h MET 68 CO -0.04 1.03 -0.04 0.87 0.23 0.00 0.00 176.91 178.97 1lta h LYS 69 N 0.91 1.00 -0.92 0.39 1.57 -1.20 -1.19 116.57 117.13 1lta h LYS 69 Ca 0.16 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1lta h LYS 69 Cb 0.59 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1lta h LYS 69 CO 0.04 1.01 0.57 -0.44 -0.57 0.00 0.00 179.45 180.05 1lta h ASP 70 N 0.91 1.08 -0.08 0.86 3.32 -1.06 -1.68 116.42 119.77 1lta h ASP 70 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1lta h ASP 70 Cb 0.58 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1lta h ASP 70 CO 0.03 0.81 0.01 0.74 -1.72 0.00 0.00 179.24 179.12 1lta h THR 71 N 1.26 1.23 -0.61 0.35 2.02 -0.78 -1.78 112.91 114.59 1lta h THR 71 Ca 0.33 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1lta h THR 71 Cb -0.09 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1lta h THR 71 CO -0.07 0.20 0.30 -0.07 0.37 0.00 0.00 175.52 176.25 1lta h LEU 72 N -0.11 0.80 -0.37 2.58 3.38 -1.11 -0.49 115.31 119.97 1lta h LEU 72 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1lta h LEU 72 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1lta h LEU 72 CO 0.00 0.70 0.24 -0.09 0.09 0.00 0.00 178.44 179.38 1lta h ARG 73 N 0.84 0.49 -0.07 1.13 2.43 -1.30 0.02 114.38 117.93 1lta h ARG 73 Ca 0.21 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 1lta h ARG 73 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1lta h ARG 73 CO -0.03 0.35 -0.70 0.97 -1.51 0.00 0.00 179.97 179.05 1lta h ILE 74 N 0.50 1.40 0.00 1.20 6.09 -0.89 -2.28 117.51 123.53 1lta h ILE 74 Ca 0.13 -2.15 -0.06 0.00 -1.37 0.00 0.00 64.86 61.41 1lta h ILE 74 Cb -0.03 2.12 -0.01 0.00 0.47 0.00 0.00 36.82 39.37 1lta h ILE 74 CO -0.03 0.64 -0.30 0.71 -3.07 0.00 0.00 178.15 176.10 1lta h THR 75 N 0.22 0.56 -0.17 2.19 1.35 -1.04 -1.32 112.91 114.71 1lta h THR 75 Ca -0.02 -1.63 -0.02 0.00 -0.55 0.00 0.00 66.41 64.19 1lta h THR 75 Cb 1.26 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 1lta h THR 75 CO 0.11 0.30 0.03 0.22 -0.25 0.00 0.00 175.52 175.93 1lta h TYR 76 N 0.00 0.29 -0.11 4.73 3.20 -0.81 -1.97 116.97 122.30 1lta h TYR 76 Ca -0.00 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1lta h TYR 76 Cb 1.12 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1lta h TYR 76 CO 0.00 0.43 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.53 1lta h LEU 77 N 0.07 0.23 -0.85 2.82 3.38 -1.10 -2.64 115.31 117.22 1lta h LEU 77 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lta h LEU 77 Cb 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1lta h LEU 77 CO 0.00 0.58 0.00 0.35 0.09 0.00 0.00 178.44 179.46 1lta n THR 78 N -4.08 0.08 -3.80 0.22 -2.24 -0.52 -4.92 114.28 99.02 1lta n THR 78 Ca -0.01 -0.25 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 1lta n THR 78 Cb 0.43 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.05 -6.44 -2.89 -0.78 1.02 -0.91 -4.93 120.64 105.75 1lta n GLU 79 Ca 0.18 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.60 1lta n GLU 79 Cb 0.30 -5.64 -0.04 0.00 -0.02 0.00 0.00 31.44 26.04 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 -3.31 4.89 0.28 2.62 2.01 -0.79 -4.85 115.64 116.49 1lta s THR 80 Ca 0.63 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 64.08 1lta s THR 80 Cb -0.30 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 67.94 1lta s THR 80 CO 0.79 0.25 1.20 -0.54 -0.69 0.00 0.00 174.62 175.62 1lta s LYS 81 N 0.66 4.51 -0.16 4.92 1.02 -1.26 -4.44 119.74 124.98 1lta s LYS 81 Ca 0.43 1.97 -0.10 0.00 0.02 0.00 0.00 55.97 58.29 1lta s LYS 81 Cb -0.20 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1lta s LYS 81 CO 0.23 0.01 0.18 0.42 -0.92 0.00 0.00 175.35 175.28 1lta s ILE 82 N -0.95 5.39 -0.13 2.17 -1.09 0.32 -4.55 121.20 122.36 1lta s ILE 82 Ca 0.48 0.31 -0.08 0.00 -2.23 0.00 0.00 60.65 59.13 1lta s ILE 82 Cb -0.35 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1lta s ILE 82 CO 0.44 0.48 -0.03 -0.78 -1.23 0.00 0.00 174.94 173.82 1lta h ASP 83 N 6.20 0.00 -4.73 3.58 3.58 -1.18 -1.64 116.42 122.22 1lta h ASP 83 Ca -0.45 -0.09 -0.24 0.00 0.42 0.00 0.00 57.03 56.67 1lta h ASP 83 Cb 1.17 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.05 1lta h ASP 83 CO 0.71 0.72 -0.71 -0.54 -2.88 0.00 0.00 179.24 176.54 1lta s LYS 84 N -1.98 0.67 0.02 0.28 1.02 -1.10 -0.89 119.74 117.76 1lta s LYS 84 Ca -0.10 -1.05 0.06 0.00 0.02 0.00 0.00 55.97 54.90 1lta s LYS 84 Cb 0.01 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1lta s LYS 84 CO 0.19 0.00 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.93 1lta s LEU 85 N -2.35 2.11 -0.22 3.17 1.43 -0.06 -1.79 118.68 120.97 1lta s LEU 85 Ca 0.01 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1lta s LEU 85 Cb -0.02 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1lta s LEU 85 CO -0.03 0.17 0.05 0.00 0.23 0.00 0.00 176.35 176.77 1lta s VAL 87 N 1.17 1.24 -0.05 0.00 -7.23 0.07 -0.27 120.40 115.34 1lta s VAL 87 Ca 0.04 -1.26 -0.27 0.00 -1.81 0.00 0.00 61.98 58.68 1lta s VAL 87 Cb -0.14 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 1lta s VAL 87 CO 0.03 -0.11 0.88 0.26 -0.31 0.00 0.00 175.10 175.85 1lta s TRP 88 N -1.11 3.59 -0.88 2.82 0.51 0.08 -0.86 118.94 123.09 1lta s TRP 88 Ca 0.01 1.51 0.17 0.00 -2.12 0.00 0.00 56.10 55.66 1lta s TRP 88 Cb -0.09 -3.02 0.65 0.00 -0.81 0.00 0.00 33.47 30.20 1lta s TRP 88 CO 0.02 -0.03 1.57 0.27 -0.51 0.00 0.00 176.95 178.27 1lta n ASN 89 N 4.12 4.51 -1.88 2.95 0.23 0.48 -1.97 115.26 123.70 1lta n ASN 89 Ca 0.04 -2.52 -0.06 0.00 -0.53 0.00 0.00 54.58 51.51 1lta n ASN 89 Cb 0.51 -0.54 0.29 0.00 -2.08 0.00 0.00 39.78 37.96 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 0.76 4.58 -4.03 0.53 6.94 -1.26 -4.91 115.26 117.88 1lta n ASN 90 Ca 0.24 -3.27 -0.12 0.00 -0.02 0.00 0.00 54.58 51.41 1lta n ASN 90 Cb 0.87 -0.73 -0.11 0.00 -2.36 0.00 0.00 39.78 37.44 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 -3.02 0.45 -0.13 -3.83 3.01 -1.26 -5.09 119.74 109.87 1lta s LYS 91 Ca 0.54 -0.67 0.01 0.00 -1.01 0.00 0.00 55.97 54.83 1lta s LYS 91 Cb 0.43 -0.17 0.02 0.00 -1.01 0.00 0.00 37.83 37.11 1lta s LYS 91 CO 0.12 0.02 -0.13 0.99 0.51 0.00 0.00 175.35 176.86 1lta s THR 92 N -1.32 1.44 0.93 2.17 2.01 -1.26 -3.04 115.64 116.57 1lta s THR 92 Ca -0.11 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1lta s THR 92 Cb -0.09 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 71.19 1lta s THR 92 CO -0.00 0.44 1.00 -0.81 -0.69 0.00 0.00 174.62 174.55 1lta n PRO 93 N 4.63 -0.44 -1.64 4.92 -0.04 -1.26 -5.06 135.00 136.11 1lta n PRO 93 Ca -0.17 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.81 1lta n PRO 93 Cb 0.50 -2.27 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1lta n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lta n ASN 94 N -3.67 1.76 -4.72 3.54 5.03 -1.17 -4.46 115.26 111.57 1lta n ASN 94 Ca 0.11 1.10 -0.36 0.00 0.87 0.00 0.00 54.58 56.30 1lta n ASN 94 Cb 0.52 -1.39 -0.08 0.00 -1.02 0.00 0.00 39.78 37.81 1lta n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lta s SER 95 N -0.61 6.28 -0.04 6.41 0.15 -0.83 -1.03 113.70 124.03 1lta s SER 95 Ca 0.61 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 57.27 1lta s SER 95 Cb -0.57 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1lta s SER 95 CO 0.58 0.12 1.20 -0.63 1.20 0.00 0.00 173.24 175.72 1lta s ILE 96 N 0.55 4.23 -0.21 6.45 1.01 -0.35 -0.74 121.20 132.14 1lta s ILE 96 Ca 0.11 1.56 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1lta s ILE 96 Cb -0.12 -4.00 -0.20 0.00 0.01 0.00 0.00 42.46 38.15 1lta s ILE 96 CO 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 174.94 174.90 1lta n ALA 97 N 5.05 1.51 -3.42 9.38 0.00 0.63 -4.88 120.51 128.78 1lta n ALA 97 Ca 0.11 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 1lta n ALA 97 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.47 -1.60 0.02 0.00 0.00 -1.03 -4.97 121.76 111.70 1lta s ALA 98 Ca -0.20 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1lta s ALA 98 Cb 0.07 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1lta s ALA 98 CO 0.67 -0.77 -0.03 -1.50 0.00 0.00 0.00 175.76 174.13 1lta s ILE 99 N -3.75 0.11 0.03 0.00 2.07 -1.26 -1.25 121.20 117.16 1lta s ILE 99 Ca 0.01 -0.72 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1lta s ILE 99 Cb -0.01 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1lta s ILE 99 CO -0.13 -0.38 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.52 1lta s SER 100 N -1.14 0.66 0.02 4.50 1.04 -0.74 -5.00 113.70 113.04 1lta s SER 100 Ca -0.12 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1lta s SER 100 Cb -0.08 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 1lta s SER 100 CO -0.01 -0.17 -0.03 0.00 0.98 0.00 0.00 173.24 174.01 1lta s MET 101 N -1.27 0.34 0.15 4.02 0.23 -1.26 -0.66 119.30 120.86 1lta s MET 101 Ca -0.09 -0.66 -0.13 0.00 -1.03 0.00 0.00 55.69 53.78 1lta s MET 101 Cb -0.08 0.09 0.01 0.00 -1.53 0.00 0.00 34.83 33.32 1lta s MET 101 CO 0.00 -0.05 0.36 -1.59 -2.03 0.00 0.00 175.02 171.72 1lta s LYS 102 N -1.63 1.15 0.00 3.16 -2.85 -1.26 -4.92 119.74 113.39 1lta s LYS 102 Ca -0.14 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1lta s LYS 102 Cb -0.09 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1lta s LYS 102 CO -0.02 -0.44 0.09 0.27 0.10 0.00 0.00 175.35 175.35