#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1llr s PRO 2 N 0.00 2.77 0.15 -0.78 0.04 -1.26 -4.92 135.00 130.99 1llr s PRO 2 Ca 0.00 1.55 0.23 0.00 0.04 0.00 0.00 61.00 62.82 1llr s PRO 2 Cb 0.00 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.71 1llr s PRO 2 CO 0.00 -1.31 1.11 1.04 0.04 0.00 0.00 177.00 177.89 1llr n GLN 3 N -2.21 0.46 -3.74 4.56 1.13 -1.26 -4.95 117.38 111.38 1llr n GLN 3 Ca 0.12 0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.17 1llr n GLN 3 Cb 0.51 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 29.09 1llr n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1llr s ASN 4 N -4.78 -0.32 0.47 1.08 2.20 -1.26 -5.05 114.94 107.28 1llr s ASN 4 Ca 0.02 -0.46 0.14 0.00 -0.94 0.00 0.00 52.86 51.62 1llr s ASN 4 Cb 0.12 0.65 1.08 0.00 -2.00 0.00 0.00 41.25 41.09 1llr s ASN 4 CO 0.77 -1.17 2.06 -0.29 -2.94 0.00 0.00 177.10 175.53 1llr h ILE 5 N 2.07 1.08 -0.16 0.54 2.10 -1.96 -1.58 117.51 119.60 1llr h ILE 5 Ca -0.26 -0.35 -0.04 0.00 1.08 0.00 0.00 64.86 65.30 1llr h ILE 5 Cb 1.27 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1llr h ILE 5 CO 0.31 0.10 -0.07 0.74 -1.08 0.00 0.00 178.15 178.16 1llr h THR 6 N 0.07 1.31 -0.56 2.19 2.02 -1.99 -0.18 112.91 115.75 1llr h THR 6 Ca 0.02 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 1llr h THR 6 Cb 0.16 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1llr h THR 6 CO 0.01 0.32 0.14 0.44 0.37 0.00 0.00 175.52 176.80 1llr h ASP 7 N 0.00 0.81 -0.33 4.18 3.32 -1.94 -2.13 116.42 120.33 1llr h ASP 7 Ca 0.04 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1llr h ASP 7 Cb 0.53 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1llr h ASP 7 CO 0.02 0.79 0.11 0.25 -1.72 0.00 0.00 179.24 178.69 1llr h LEU 8 N 0.84 0.48 -1.60 1.55 6.46 -1.16 -2.82 115.31 119.07 1llr h LEU 8 Ca 0.18 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1llr h LEU 8 Cb 0.30 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1llr h LEU 8 CO -0.00 0.55 0.34 0.00 -0.62 0.00 0.00 178.44 178.72 1llr n ALA 10 N -2.49 1.73 0.62 0.00 0.00 -0.82 -2.24 120.51 117.30 1llr n ALA 10 Ca 0.07 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1llr n ALA 10 Cb 0.21 -1.38 0.42 0.00 0.00 0.00 0.00 19.45 18.69 1llr n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1llr n GLU 11 N -2.16 0.04 -4.34 0.00 1.02 -0.79 -4.87 120.64 109.55 1llr n GLU 11 Ca 0.03 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 1llr n GLU 11 Cb 0.24 -1.57 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1llr n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1llr s TYR 12 N -3.05 2.50 0.56 -0.32 1.51 -0.95 -5.14 117.35 112.46 1llr s TYR 12 Ca 0.09 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1llr s TYR 12 Cb 0.12 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1llr s TYR 12 CO 0.37 0.37 0.93 -1.01 -1.11 0.00 0.00 175.55 175.10 1llr s HIS 13 N -1.12 3.60 -1.44 2.71 3.76 -1.26 -4.13 115.29 117.40 1llr s HIS 13 Ca 0.17 1.10 -0.01 0.00 -0.15 0.00 0.00 55.06 56.18 1llr s HIS 13 Cb -0.10 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1llr s HIS 13 CO 0.09 -0.51 0.10 0.09 -0.85 0.00 0.00 174.74 173.66 1llr n ASN 14 N -2.49 -5.12 -4.62 1.40 5.03 -1.26 -4.95 115.26 103.24 1llr n ASN 14 Ca 0.04 -0.06 -0.25 0.00 0.87 0.00 0.00 54.58 55.18 1llr n ASN 14 Cb 0.54 -4.16 -0.09 0.00 -1.02 0.00 0.00 39.78 35.05 1llr n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1llr s THR 15 N -2.90 2.43 0.03 3.41 -4.23 -1.26 -0.82 115.64 112.30 1llr s THR 15 Ca 0.05 -1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 58.37 1llr s THR 15 Cb -0.02 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.04 1llr s THR 15 CO 0.06 -0.15 0.45 0.00 -0.54 0.00 0.00 174.62 174.44 1llr s GLN 16 N -3.72 0.93 -0.02 3.99 -2.07 -0.50 -4.90 119.66 113.37 1llr s GLN 16 Ca 0.35 -0.25 -0.19 0.00 -1.82 0.00 0.00 55.36 53.45 1llr s GLN 16 Cb 0.02 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 1llr s GLN 16 CO 0.19 -0.31 0.55 0.42 -1.32 0.00 0.00 175.29 174.82 1llr s ILE 17 N -2.18 4.97 -0.15 3.63 -1.09 -1.26 -1.22 121.20 123.89 1llr s ILE 17 Ca -0.07 1.14 -0.03 0.00 -2.23 0.00 0.00 60.65 59.46 1llr s ILE 17 Cb -0.01 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1llr s ILE 17 CO -0.00 0.43 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.08 1llr s HIS 18 N -0.18 2.98 -0.37 3.97 3.76 0.03 -4.99 115.29 120.49 1llr s HIS 18 Ca 0.29 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 1llr s HIS 18 Cb -0.17 -1.95 0.03 0.00 1.11 0.00 0.00 32.58 31.60 1llr s HIS 18 CO 0.16 -0.09 0.20 0.99 -0.85 0.00 0.00 174.74 175.14 1llr s THR 19 N 0.42 4.50 -0.26 1.30 2.01 -1.26 -0.98 115.64 121.36 1llr s THR 19 Ca -0.05 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 1llr s THR 19 Cb -0.15 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 1llr s THR 19 CO 0.03 -0.23 -0.32 0.18 -0.69 0.00 0.00 174.62 173.59 1llr n LEU 20 N 4.98 2.06 -4.04 4.42 7.99 0.59 -5.01 117.00 127.99 1llr n LEU 20 Ca -0.12 0.25 -0.31 0.00 -0.01 0.00 0.00 56.01 55.82 1llr n LEU 20 Cb 0.46 -0.80 -0.03 0.00 -0.11 0.00 0.00 43.42 42.94 1llr n LEU 20 CO 0.36 0.61 -0.27 0.59 -1.51 0.00 0.00 177.39 177.17 1llr n ASN 21 N -4.03 -1.23 -3.47 -1.43 3.02 0.25 -4.94 115.26 103.43 1llr n ASN 21 Ca -0.51 -1.14 -0.14 0.00 -0.03 0.00 0.00 54.58 52.76 1llr n ASN 21 Cb 0.89 -2.45 -0.04 0.00 -0.61 0.00 0.00 39.78 37.57 1llr n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1llr s ASP 22 N -4.12 -0.59 0.78 6.41 2.15 -0.50 -4.90 116.67 115.90 1llr s ASP 22 Ca 0.15 0.28 -0.11 0.00 0.43 0.00 0.00 52.55 53.29 1llr s ASP 22 Cb -0.07 0.57 0.06 0.00 -0.30 0.00 0.00 42.92 43.18 1llr s ASP 22 CO 0.93 -0.81 1.08 -1.59 -0.17 0.00 0.00 175.17 174.61 1llr s LYS 23 N -2.69 2.25 0.15 4.34 -2.85 -1.26 -0.93 119.74 118.76 1llr s LYS 23 Ca -0.04 0.88 -0.31 0.00 -1.00 0.00 0.00 55.97 55.50 1llr s LYS 23 Cb -0.01 -1.92 -0.08 0.00 -2.06 0.00 0.00 37.83 33.76 1llr s LYS 23 CO -0.03 -1.56 1.34 0.42 0.10 0.00 0.00 175.35 175.61 1llr s ILE 24 N -3.03 3.30 -0.05 3.79 1.01 -1.26 -4.67 121.20 120.28 1llr s ILE 24 Ca 0.60 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 1llr s ILE 24 Cb -0.15 -3.64 -0.30 0.00 0.01 0.00 0.00 42.46 38.38 1llr s ILE 24 CO 0.55 0.11 0.66 0.15 0.00 0.00 0.00 174.94 176.41 1llr h PHE 25 N 6.08 0.63 -3.87 3.97 3.57 -0.88 -3.47 116.94 122.97 1llr h PHE 25 Ca -0.43 -0.46 -0.15 0.00 3.53 0.00 0.00 57.97 60.46 1llr h PHE 25 Cb 1.21 -0.03 -0.19 0.00 2.79 0.00 0.00 35.95 39.73 1llr h PHE 25 CO 0.64 1.63 -0.61 -1.54 -2.23 0.00 0.00 178.31 176.20 1llr s SER 26 N -7.19 0.21 -0.08 0.41 1.04 -0.92 -4.97 113.70 102.20 1llr s SER 26 Ca -0.15 -0.51 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 1llr s SER 26 Cb 0.06 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1llr s SER 26 CO 0.84 -0.41 -0.05 -0.47 0.98 0.00 0.00 173.24 174.13 1llr s TYR 27 N -2.04 1.09 -0.02 5.02 5.04 -1.26 -1.81 117.35 123.37 1llr s TYR 27 Ca -0.10 -0.44 0.06 0.00 -2.44 0.00 0.00 57.07 54.15 1llr s TYR 27 Cb -0.05 -0.97 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 1llr s TYR 27 CO -0.02 -0.37 -0.21 0.99 -1.34 0.00 0.00 175.55 174.60 1llr s THR 28 N 1.51 1.67 -0.00 4.34 2.01 -0.09 -5.01 115.64 120.07 1llr s THR 28 Ca -0.00 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1llr s THR 28 Cb -0.13 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.98 1llr s THR 28 CO -0.04 0.47 0.04 -1.83 -0.69 0.00 0.00 174.62 172.57 1llr s GLU 29 N -0.46 0.18 0.03 4.92 -1.05 -1.26 -0.78 118.70 120.28 1llr s GLU 29 Ca 0.07 -0.19 0.05 0.00 -0.15 0.00 0.00 54.97 54.76 1llr s GLU 29 Cb -0.09 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.66 1llr s GLU 29 CO -0.00 -0.03 -0.15 0.45 0.95 0.00 0.00 175.26 176.48 1llr s SER 30 N -0.57 1.75 0.00 0.83 0.15 -0.82 -5.01 113.70 110.02 1llr s SER 30 Ca -0.06 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.26 1llr s SER 30 Cb -0.04 -0.13 0.16 0.00 -1.71 0.00 0.00 66.02 64.30 1llr s SER 30 CO -0.00 0.08 1.00 0.00 1.20 0.00 0.00 173.24 175.52 1llr n LEU 31 N 2.07 2.27 -4.77 3.45 -0.00 -1.26 -2.94 117.00 115.82 1llr n LEU 31 Ca -0.17 -1.47 -0.40 0.00 -0.00 0.00 0.00 56.01 53.97 1llr n LEU 31 Cb 0.55 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1llr n LEU 31 CO 0.23 0.51 1.03 0.00 -0.00 0.00 0.00 177.39 179.17 1llr s ALA 32 N -0.89 3.32 0.20 1.47 0.00 -1.26 -4.80 121.76 119.79 1llr s ALA 32 Ca 0.15 1.38 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 1llr s ALA 32 Cb 0.09 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1llr s ALA 32 CO 0.13 -0.99 1.64 0.20 0.00 0.00 0.00 175.76 176.74 1llr s GLY 33 N -0.53 1.47 0.00 0.00 0.00 -1.26 -1.22 107.32 105.77 1llr s GLY 33 Ca 0.57 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1llr s GLY 33 CO 0.54 2.73 0.00 0.28 0.00 0.00 0.00 173.10 176.65 1llr n LYS 34 N 3.78 -0.71 -2.83 2.90 5.02 -1.26 -4.81 118.16 120.25 1llr n LYS 34 Ca 0.14 0.18 -0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1llr n LYS 34 Cb 0.37 -3.78 0.05 0.00 -0.02 0.00 0.00 35.03 31.65 1llr n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1llr n ARG 35 N -1.39 1.70 -2.71 1.97 5.12 -0.36 -4.95 116.66 116.04 1llr n ARG 35 Ca 0.00 -3.48 -0.42 0.00 -1.93 0.00 0.00 57.85 52.02 1llr n ARG 35 Cb 0.18 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 1llr n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1llr s GLU 36 N -3.74 3.39 0.30 5.56 8.01 -1.14 -4.32 118.70 126.75 1llr s GLU 36 Ca 0.27 -1.01 -0.16 0.00 0.01 0.00 0.00 54.97 54.08 1llr s GLU 36 Cb 0.33 -4.74 0.02 0.00 -4.31 0.00 0.00 34.13 25.43 1llr s GLU 36 CO -0.04 -2.01 0.64 0.00 0.01 0.00 0.00 175.26 173.87 1llr s MET 37 N 4.41 1.82 0.13 1.61 0.23 -1.15 -4.16 119.30 122.18 1llr s MET 37 Ca 0.35 -1.23 0.07 0.00 -1.03 0.00 0.00 55.69 53.85 1llr s MET 37 Cb -0.07 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1llr s MET 37 CO 0.00 -0.81 -0.15 0.00 -2.03 0.00 0.00 175.02 172.03 1llr s ALA 38 N -3.54 1.60 -0.04 3.16 0.00 -1.21 -1.95 121.76 119.78 1llr s ALA 38 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1llr s ALA 38 Cb -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1llr s ALA 38 CO 0.10 0.15 -0.02 0.42 0.00 0.00 0.00 175.76 176.41 1llr s ILE 39 N -1.98 0.34 0.20 0.00 1.01 0.04 -0.97 121.20 119.84 1llr s ILE 39 Ca 0.09 0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.85 1llr s ILE 39 Cb -0.06 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1llr s ILE 39 CO 0.04 0.19 -0.21 0.27 0.00 0.00 0.00 174.94 175.23 1llr s ILE 40 N 1.08 2.18 0.13 2.92 -4.36 0.07 -0.91 121.20 122.32 1llr s ILE 40 Ca -0.09 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.28 1llr s ILE 40 Cb -0.14 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 1llr s ILE 40 CO -0.01 -0.25 -0.12 0.42 0.24 0.00 0.00 174.94 175.22 1llr s THR 41 N -1.99 1.22 0.34 8.37 -4.23 -0.75 -1.24 115.64 117.37 1llr s THR 41 Ca 0.21 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1llr s THR 41 Cb -0.06 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1llr s THR 41 CO 0.10 -0.57 0.12 -0.36 -0.54 0.00 0.00 174.62 173.36 1llr s PHE 42 N -2.66 2.68 0.39 3.99 0.40 -0.59 -0.18 117.98 122.01 1llr s PHE 42 Ca 0.12 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.13 1llr s PHE 42 Cb -0.02 -1.61 0.82 0.00 0.51 0.00 0.00 43.02 42.72 1llr s PHE 42 CO 0.02 0.36 1.99 -0.22 0.70 0.00 0.00 175.22 178.07 1llr h LYS 43 N 1.60 0.63 0.00 0.44 3.64 -1.89 -0.35 116.57 120.63 1llr h LYS 43 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1llr h LYS 43 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1llr h LYS 43 CO 0.64 0.41 0.00 0.27 -2.27 0.00 0.00 179.45 178.50 1llr n ASN 44 N -4.47 0.00 0.00 4.20 6.94 -1.26 -4.87 115.26 115.80 1llr n ASN 44 Ca 0.09 0.41 0.00 0.00 -0.02 0.00 0.00 54.58 55.06 1llr n ASN 44 Cb 0.21 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 1llr n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1llr n GLY 45 N -0.11 0.38 3.73 4.83 0.00 -0.14 -5.05 105.19 108.84 1llr n GLY 45 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1llr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llr s ALA 46 N -2.00 3.78 -0.03 4.61 0.00 -1.26 -4.72 121.76 122.14 1llr s ALA 46 Ca 0.00 1.45 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1llr s ALA 46 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1llr s ALA 46 CO 0.00 -0.85 -0.22 0.99 0.00 0.00 0.00 175.76 175.69 1llr s THR 47 N 0.68 1.74 0.02 0.00 2.01 -1.26 -1.55 115.64 117.28 1llr s THR 47 Ca 0.68 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1llr s THR 47 Cb -0.46 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1llr s THR 47 CO 0.37 0.49 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.39 1llr s PHE 48 N -0.35 0.35 0.18 4.92 0.08 -0.37 -3.99 117.98 118.80 1llr s PHE 48 Ca 0.04 -0.49 0.11 0.00 0.12 0.00 0.00 56.93 56.71 1llr s PHE 48 Cb -0.10 -0.23 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1llr s PHE 48 CO 0.01 -0.15 -0.24 1.14 -0.10 0.00 0.00 175.22 175.87 1llr s GLN 49 N -1.39 1.52 -0.36 0.44 -2.07 -0.42 -0.75 119.66 116.62 1llr s GLN 49 Ca -0.13 -1.48 -0.14 0.00 -1.82 0.00 0.00 55.36 51.78 1llr s GLN 49 Cb -0.09 -1.87 -0.00 0.00 -1.09 0.00 0.00 33.01 29.95 1llr s GLN 49 CO -0.01 0.41 0.28 0.08 -1.32 0.00 0.00 175.29 174.73 1llr s VAL 50 N -1.56 5.26 0.65 3.63 1.01 -0.14 -0.29 120.40 128.95 1llr s VAL 50 Ca 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1llr s VAL 50 Cb -0.08 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1llr s VAL 50 CO 0.09 -0.12 1.22 -1.61 0.00 0.00 0.00 175.10 174.68 1llr s GLU 51 N 1.76 2.64 0.27 2.72 2.02 -1.26 -3.36 118.70 123.49 1llr s GLU 51 Ca 0.07 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1llr s GLU 51 Cb -0.18 -1.88 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 1llr s GLU 51 CO 0.11 -1.47 1.62 0.08 0.02 0.00 0.00 175.26 175.62 1llr s VAL 52 N -1.69 2.06 0.21 2.63 1.01 -1.26 -4.88 120.40 118.48 1llr s VAL 52 Ca 0.77 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.48 1llr s VAL 52 Cb -0.31 -3.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.90 1llr s VAL 52 CO 0.38 0.01 1.51 -2.65 0.00 0.00 0.00 175.10 174.35 1llr n PRO 53 N 2.58 2.18 -1.78 2.72 -0.02 -1.26 -4.96 135.00 134.46 1llr n PRO 53 Ca 0.10 0.78 -0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1llr n PRO 53 Cb 0.37 -2.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1llr n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1llr n GLY 54 N 2.75 3.41 0.14 -1.23 0.00 -1.26 -5.02 105.19 103.97 1llr n GLY 54 Ca 0.14 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.80 1llr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1llr n SER 55 N -2.40 0.66 0.17 1.61 3.41 -1.26 -1.47 113.62 114.34 1llr n SER 55 Ca 0.00 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1llr n SER 55 Cb 0.02 -0.82 0.43 0.00 -0.26 0.00 0.00 64.21 63.57 1llr n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1llr h GLN 56 N 0.00 0.00 -5.97 4.33 -0.00 -1.96 -3.46 115.11 108.05 1llr h GLN 56 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1llr h GLN 56 Cb 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.72 1llr h GLN 56 CO 0.00 0.00 -0.37 -1.01 -0.00 0.00 0.00 178.83 177.45 1llr s HIS 57 N -3.28 3.55 0.42 0.06 3.76 -0.54 -5.10 115.29 114.15 1llr s HIS 57 Ca 0.07 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.51 1llr s HIS 57 Cb 0.09 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1llr s HIS 57 CO 0.55 0.57 0.66 0.96 -0.85 0.00 0.00 174.74 176.62 1llr s ILE 58 N -1.41 4.72 0.23 0.60 -4.36 -1.26 -4.90 121.20 114.81 1llr s ILE 58 Ca 0.32 -0.27 -0.06 0.00 -0.26 0.00 0.00 60.65 60.37 1llr s ILE 58 Cb -0.13 -3.75 0.19 0.00 1.25 0.00 0.00 42.46 40.01 1llr s ILE 58 CO 0.19 -0.58 1.80 -0.78 0.24 0.00 0.00 174.94 175.81 1llr h ASP 59 N 0.48 0.57 -0.10 4.36 3.58 -1.99 -0.82 116.42 122.50 1llr h ASP 59 Ca -0.48 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.05 1llr h ASP 59 Cb 1.22 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1llr h ASP 59 CO 0.60 0.33 0.16 0.77 -2.88 0.00 0.00 179.24 178.23 1llr h SER 60 N 0.70 0.00 1.73 2.28 4.64 -2.05 -1.48 113.55 119.37 1llr h SER 60 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1llr h SER 60 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1llr h SER 60 CO -0.24 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.28 1llr h GLN 61 N 0.00 0.00 -0.28 4.77 4.20 -1.53 -3.37 115.11 118.90 1llr h GLN 61 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1llr h GLN 61 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1llr h GLN 61 CO -0.00 0.00 0.18 0.87 -0.67 0.00 0.00 178.83 179.21 1llr h LYS 62 N 0.00 0.37 -0.39 1.46 1.57 -1.33 0.18 116.57 118.43 1llr h LYS 62 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1llr h LYS 62 Cb 0.86 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1llr h LYS 62 CO 0.00 0.26 0.06 0.87 -0.57 0.00 0.00 179.45 180.07 1llr h LYS 63 N 0.37 0.59 0.00 3.15 1.57 -1.76 -2.52 116.57 117.96 1llr h LYS 63 Ca 0.10 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1llr h LYS 63 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1llr h LYS 63 CO -0.02 0.57 -0.61 0.00 -0.57 0.00 0.00 179.45 178.81 1llr h ALA 64 N 1.50 0.89 -0.26 3.86 0.00 -1.45 -0.72 119.26 123.08 1llr h ALA 64 Ca 0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1llr h ALA 64 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1llr h ALA 64 CO 0.00 0.77 0.12 0.82 0.00 0.00 0.00 179.25 180.96 1llr h ILE 65 N 0.00 1.16 -0.87 0.00 2.04 -0.39 -0.20 117.51 119.25 1llr h ILE 65 Ca -0.01 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1llr h ILE 65 Cb 1.16 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1llr h ILE 65 CO 0.08 0.16 0.50 -0.33 0.00 0.00 0.00 178.15 178.56 1llr h GLU 66 N 0.28 1.20 -0.73 2.37 4.39 -1.21 -2.12 114.58 118.77 1llr h GLU 66 Ca 0.09 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1llr h GLU 66 Cb 0.14 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1llr h GLU 66 CO -0.01 0.87 0.30 -0.09 -1.16 0.00 0.00 179.01 178.92 1llr h ARG 67 N 1.21 1.07 -0.71 2.33 2.43 -0.94 -1.84 114.38 117.94 1llr h ARG 67 Ca 0.31 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1llr h ARG 67 Cb -0.00 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1llr h ARG 67 CO -0.05 0.86 0.38 1.98 -1.51 0.00 0.00 179.97 181.62 1llr h MET 68 N 1.05 1.00 -0.70 0.20 4.05 -0.62 0.16 114.93 120.07 1llr h MET 68 Ca 0.25 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1llr h MET 68 Cb 0.18 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1llr h MET 68 CO -0.02 0.75 0.36 0.87 0.23 0.00 0.00 176.91 179.10 1llr h LYS 69 N 0.98 0.98 -0.39 0.39 1.57 -1.05 -0.01 116.57 119.03 1llr h LYS 69 Ca 0.25 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1llr h LYS 69 Cb 0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1llr h LYS 69 CO -0.04 0.74 0.21 -0.44 -0.57 0.00 0.00 179.45 179.35 1llr h ASP 70 N 0.99 0.32 -0.20 0.86 3.32 -0.48 -1.80 116.42 119.42 1llr h ASP 70 Ca 0.25 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1llr h ASP 70 Cb 0.07 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1llr h ASP 70 CO -0.04 0.23 0.06 0.74 -1.72 0.00 0.00 179.24 178.51 1llr h THR 71 N 0.42 0.93 -0.59 0.35 2.02 -0.08 -1.96 112.91 114.01 1llr h THR 71 Ca 0.16 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1llr h THR 71 Cb 0.05 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1llr h THR 71 CO -0.10 0.03 0.27 -0.07 0.37 0.00 0.00 175.52 176.02 1llr h LEU 72 N 0.14 0.79 -0.09 2.58 3.38 -0.93 0.17 115.31 121.34 1llr h LEU 72 Ca 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1llr h LEU 72 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1llr h LEU 72 CO -0.10 0.71 0.02 -0.09 0.09 0.00 0.00 178.44 179.06 1llr h ARG 73 N 0.81 0.05 -0.39 1.13 2.43 -1.14 -0.71 114.38 116.57 1llr h ARG 73 Ca 0.20 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1llr h ARG 73 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1llr h ARG 73 CO -0.02 0.04 -0.22 0.97 -1.51 0.00 0.00 179.97 179.23 1llr h ILE 74 N 0.06 1.27 -0.57 1.20 2.10 -1.26 -0.97 117.51 119.34 1llr h ILE 74 Ca 0.04 -1.32 0.04 0.00 1.08 0.00 0.00 64.86 64.69 1llr h ILE 74 Cb 0.03 1.21 -0.04 0.00 -1.09 0.00 0.00 36.82 36.93 1llr h ILE 74 CO -0.05 0.44 0.33 0.00 -1.08 0.00 0.00 178.15 177.79 1llr h ALA 75 N 1.09 0.75 -0.05 0.18 0.00 -0.59 -1.10 119.26 119.54 1llr h ALA 75 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1llr h ALA 75 Cb 0.72 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1llr h ALA 75 CO 0.06 0.03 -0.06 -0.92 0.00 0.00 0.00 179.25 178.36 1llr h TYR 76 N 0.65 -0.14 0.00 0.00 3.20 -0.86 -1.25 116.97 118.56 1llr h TYR 76 Ca 0.24 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1llr h TYR 76 Cb 0.07 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1llr h TYR 76 CO -0.07 -0.09 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.05 1llr h LEU 77 N -0.08 0.00 -0.40 2.82 3.38 -0.89 -2.50 115.31 117.63 1llr h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1llr h LEU 77 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1llr h LEU 77 CO -0.10 0.23 -0.33 0.35 0.09 0.00 0.00 178.44 178.68 1llr n THR 78 N -3.34 0.00 -2.41 0.22 -2.24 -0.44 -4.95 114.28 101.12 1llr n THR 78 Ca 0.01 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 1llr n THR 78 Cb 0.47 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1llr n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1llr n GLU 79 N -0.81 -1.75 -1.92 -0.78 1.02 -0.55 -4.95 120.64 110.90 1llr n GLU 79 Ca 0.10 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 1llr n GLU 79 Cb 0.35 -5.45 -0.02 0.00 -0.02 0.00 0.00 31.44 26.30 1llr n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1llr s ALA 80 N -2.95 3.63 0.05 0.62 0.00 -0.74 -4.73 121.76 117.64 1llr s ALA 80 Ca 0.02 1.44 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1llr s ALA 80 Cb -0.01 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1llr s ALA 80 CO 0.03 -0.86 1.24 0.21 0.00 0.00 0.00 175.76 176.38 1llr s LYS 81 N -0.96 4.39 -0.15 0.00 2.20 -1.26 -4.31 119.74 119.64 1llr s LYS 81 Ca 0.58 1.82 -0.19 0.00 -0.36 0.00 0.00 55.97 57.81 1llr s LYS 81 Cb -0.44 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1llr s LYS 81 CO 0.50 -0.33 0.54 0.08 -0.36 0.00 0.00 175.35 175.78 1llr s VAL 82 N 1.33 5.12 0.00 4.02 1.01 -0.10 -3.24 120.40 128.54 1llr s VAL 82 Ca 0.60 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1llr s VAL 82 Cb -0.30 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1llr s VAL 82 CO 0.28 0.23 0.00 1.21 0.00 0.00 0.00 175.10 176.82 1llr n GLU 83 N 4.31 0.00 -4.19 2.72 2.13 0.32 -0.58 120.64 125.35 1llr n GLU 83 Ca -0.05 0.44 -0.16 0.00 0.66 0.00 0.00 57.16 58.05 1llr n GLU 83 Cb 0.51 -0.94 -0.11 0.00 0.27 0.00 0.00 31.44 31.17 1llr n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1llr s LYS 84 N -0.91 0.88 -0.06 5.31 1.02 -1.14 -0.30 119.74 124.54 1llr s LYS 84 Ca 0.00 -1.13 0.05 0.00 0.02 0.00 0.00 55.97 54.91 1llr s LYS 84 Cb 0.00 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1llr s LYS 84 CO 0.00 0.13 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.82 1llr s LEU 85 N -2.28 2.02 -0.24 3.17 1.43 -0.15 -0.92 118.68 121.71 1llr s LEU 85 Ca 0.04 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1llr s LEU 85 Cb -0.05 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1llr s LEU 85 CO 0.01 0.20 0.36 0.00 0.23 0.00 0.00 176.35 177.15 1llr s VAL 87 N 1.69 1.36 -0.11 0.00 -7.23 -0.36 -0.14 120.40 115.61 1llr s VAL 87 Ca 0.15 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1llr s VAL 87 Cb -0.15 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1llr s VAL 87 CO 0.09 -0.45 0.67 0.26 -0.31 0.00 0.00 175.10 175.35 1llr s TRP 88 N -2.30 3.51 -0.87 2.82 0.51 0.50 -1.41 118.94 121.69 1llr s TRP 88 Ca 0.11 1.13 0.17 0.00 -2.12 0.00 0.00 56.10 55.39 1llr s TRP 88 Cb -0.04 -2.79 0.66 0.00 -0.81 0.00 0.00 33.47 30.48 1llr s TRP 88 CO 0.03 0.00 1.57 0.27 -0.51 0.00 0.00 176.95 178.32 1llr n ASN 89 N 4.21 4.54 -1.62 2.95 0.23 -0.00 -1.94 115.26 123.62 1llr n ASN 89 Ca -0.01 -2.53 0.08 0.00 -0.53 0.00 0.00 54.58 51.58 1llr n ASN 89 Cb 0.51 -0.55 0.35 0.00 -2.08 0.00 0.00 39.78 38.01 1llr n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1llr n ASN 90 N 0.76 4.83 -4.17 0.53 6.94 -1.26 -4.90 115.26 117.99 1llr n ASN 90 Ca 0.24 -2.59 -0.11 0.00 -0.02 0.00 0.00 54.58 52.10 1llr n ASN 90 Cb 0.87 -0.61 -0.10 0.00 -2.36 0.00 0.00 39.78 37.59 1llr n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1llr s LYS 91 N -2.15 0.85 -0.03 -3.83 -0.14 -1.26 -5.10 119.74 108.09 1llr s LYS 91 Ca 0.49 -1.35 0.01 0.00 -1.36 0.00 0.00 55.97 53.75 1llr s LYS 91 Cb 0.34 -0.19 0.02 0.00 -1.68 0.00 0.00 37.83 36.32 1llr s LYS 91 CO 0.20 -0.04 -0.02 0.99 -0.76 0.00 0.00 175.35 175.72 1llr s THR 92 N -3.65 0.32 0.96 2.17 2.01 -1.26 -3.00 115.64 113.19 1llr s THR 92 Ca 0.13 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1llr s THR 92 Cb 0.05 -0.36 0.14 0.00 0.01 0.00 0.00 72.50 72.34 1llr s THR 92 CO -0.04 0.16 0.94 -2.65 -0.69 0.00 0.00 174.62 172.34 1llr n PRO 93 N 3.86 -0.67 -1.67 4.92 -0.02 -1.26 -5.04 135.00 135.12 1llr n PRO 93 Ca -0.24 -0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.67 1llr n PRO 93 Cb 0.52 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1llr n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1llr n HIS 94 N -4.20 2.04 -3.38 6.00 8.25 -1.16 -4.50 115.22 118.27 1llr n HIS 94 Ca 0.10 0.58 -0.38 0.00 -0.26 0.00 0.00 57.72 57.76 1llr n HIS 94 Cb 0.53 -2.38 -0.07 0.00 1.12 0.00 0.00 29.99 29.19 1llr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1llr s ALA 95 N -1.09 3.54 0.10 -1.41 0.00 -0.82 -1.31 121.76 120.77 1llr s ALA 95 Ca 0.56 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1llr s ALA 95 Cb -0.59 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1llr s ALA 95 CO 0.62 -0.19 1.27 0.42 0.00 0.00 0.00 175.76 177.88 1llr s ILE 96 N 1.07 3.69 -0.19 0.00 1.01 0.60 -0.37 121.20 127.01 1llr s ILE 96 Ca 0.21 1.23 0.06 0.00 0.00 0.00 0.00 60.65 62.15 1llr s ILE 96 Cb -0.15 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.38 1llr s ILE 96 CO 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 174.94 175.03 1llr n ALA 97 N 3.77 1.58 -3.43 9.38 0.00 0.80 -4.83 120.51 127.78 1llr n ALA 97 Ca 0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.46 1llr n ALA 97 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1llr n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1llr s ALA 98 N -2.40 -1.60 0.02 0.00 0.00 -0.87 -4.98 121.76 111.93 1llr s ALA 98 Ca -0.21 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1llr s ALA 98 Cb 0.06 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1llr s ALA 98 CO 0.53 -0.57 -0.13 -1.50 0.00 0.00 0.00 175.76 174.09 1llr s ILE 99 N -2.56 1.04 -0.01 0.00 2.07 -1.26 -1.07 121.20 119.41 1llr s ILE 99 Ca -0.05 -0.84 0.07 0.00 -1.41 0.00 0.00 60.65 58.42 1llr s ILE 99 Cb -0.01 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1llr s ILE 99 CO -0.02 0.08 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.93 1llr s SER 100 N -0.87 2.54 -0.10 4.50 1.04 -0.10 -5.00 113.70 115.71 1llr s SER 100 Ca 0.02 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1llr s SER 100 Cb -0.07 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1llr s SER 100 CO 0.01 0.26 -0.23 -0.04 0.98 0.00 0.00 173.24 174.22 1llr s MET 101 N -0.54 3.04 -0.06 4.02 -1.94 -1.26 -0.52 119.30 122.04 1llr s MET 101 Ca 0.08 -0.86 -0.31 0.00 -1.71 0.00 0.00 55.69 52.90 1llr s MET 101 Cb -0.08 -2.33 0.08 0.00 2.01 0.00 0.00 34.83 34.51 1llr s MET 101 CO -0.01 0.21 0.72 0.00 -0.01 0.00 0.00 175.02 175.93 1llr s ALA 102 N 0.28 -1.79 -1.16 3.03 0.00 -1.20 -4.85 121.76 116.08 1llr s ALA 102 Ca -0.16 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1llr s ALA 102 Cb -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1llr s ALA 102 CO 0.08 -0.37 0.29 0.09 0.00 0.00 0.00 175.76 175.85