#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1al2 s ALA 3 N 0.00 3.33 -0.25 4.61 0.00 -1.26 -4.69 121.76 123.50 1al2 s ALA 3 Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1al2 s ALA 3 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1al2 s ALA 3 CO 0.00 -0.29 0.15 -1.14 0.00 0.00 0.00 175.76 174.48 1al2 s GLN 4 N 0.49 3.95 -0.25 0.00 2.00 0.19 -4.94 119.66 121.11 1al2 s GLN 4 Ca 0.53 -0.33 -0.03 0.00 -2.00 0.00 0.00 55.36 53.53 1al2 s GLN 4 Cb -0.27 -3.52 0.02 0.00 0.80 0.00 0.00 33.01 30.03 1al2 s GLN 4 CO 0.31 -0.05 -0.03 0.08 -0.50 0.00 0.00 175.29 175.10 1al2 s VAL 5 N 1.35 3.20 0.24 1.34 1.01 -1.26 -0.81 120.40 125.46 1al2 s VAL 5 Ca 0.07 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1al2 s VAL 5 Cb -0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1al2 s VAL 5 CO 0.06 0.22 -0.18 -0.44 0.00 0.00 0.00 175.10 174.77 1al2 s SER 6 N 1.39 3.10 0.21 3.32 0.01 -0.65 -4.96 113.70 116.13 1al2 s SER 6 Ca 0.02 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.19 1al2 s SER 6 Cb -0.16 -0.22 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 1al2 s SER 6 CO -0.03 -0.05 0.51 -0.94 0.41 0.00 0.00 173.24 173.15 1al2 s SER 7 N -3.34 6.59 0.18 2.44 1.04 -1.26 -0.68 113.70 118.67 1al2 s SER 7 Ca 0.26 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.39 1al2 s SER 7 Cb -0.03 -2.19 -0.07 0.00 0.10 0.00 0.00 66.02 63.82 1al2 s SER 7 CO 0.11 -0.05 0.58 -1.10 0.98 0.00 0.00 173.24 173.75 1al2 s GLN 8 N -2.81 3.96 -0.80 4.02 -0.21 0.28 -4.87 119.66 119.22 1al2 s GLN 8 Ca 0.46 0.48 -0.25 0.00 0.02 0.00 0.00 55.36 56.07 1al2 s GLN 8 Cb -0.11 -2.82 0.05 0.00 1.00 0.00 0.00 33.01 31.12 1al2 s GLN 8 CO 0.22 0.41 1.26 0.21 -2.12 0.00 0.00 175.29 175.27 1al2 s LYS 9 N -2.24 3.29 -0.30 2.91 2.20 -1.26 -4.70 119.74 119.64 1al2 s LYS 9 Ca 0.42 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1al2 s LYS 9 Cb -0.14 -4.51 -0.00 0.00 -1.51 0.00 0.00 37.83 31.67 1al2 s LYS 9 CO 0.20 -2.09 1.39 0.08 -0.36 0.00 0.00 175.35 174.57 1al2 s VAL 10 N 5.10 4.00 0.00 4.02 1.01 -1.26 -4.96 120.40 128.31 1al2 s VAL 10 Ca 0.35 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1al2 s VAL 10 Cb -0.07 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1al2 s VAL 10 CO 0.07 -0.49 0.06 0.61 0.00 0.00 0.00 175.10 175.35 1al2 n GLY 11 N 4.53 0.77 3.75 4.51 0.00 -1.26 -4.86 105.19 112.63 1al2 n GLY 11 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1al2 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al2 s ALA 12 N -3.53 3.36 0.05 4.61 0.00 -1.26 -5.08 121.76 119.91 1al2 s ALA 12 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.41 1al2 s ALA 12 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1al2 s ALA 12 CO 0.00 0.13 -0.02 -1.01 0.00 0.00 0.00 175.76 174.86 1al2 s HIS 13 N -0.50 2.98 -0.04 0.00 0.09 -1.26 -5.25 115.29 111.31 1al2 s HIS 13 Ca 0.40 -0.01 -0.26 0.00 -0.00 0.00 0.00 55.06 55.19 1al2 s HIS 13 Cb -0.23 -1.57 -0.21 0.00 -0.00 0.00 0.00 32.58 30.57 1al2 s HIS 13 CO 0.27 0.45 1.15 1.49 -0.00 0.00 0.00 174.74 178.10 1al2 h GLU 14 N 3.85 0.06 0.00 1.40 4.81 -2.02 -3.56 114.58 119.11 1al2 h GLU 14 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1al2 h GLU 14 Cb 1.17 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1al2 h GLU 14 CO 0.58 0.66 0.00 -1.13 -0.73 0.00 0.00 179.01 178.39 1al2 n SER 23 N -4.73 0.00 -4.70 1.04 3.41 -1.26 -5.33 113.62 102.04 1al2 n SER 23 Ca -0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 1al2 n SER 23 Cb 0.34 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1al2 n SER 23 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1al2 s THR 24 N -0.81 4.69 -0.16 6.66 -1.32 -1.26 -5.05 115.64 118.39 1al2 s THR 24 Ca 0.00 1.94 -0.17 0.00 -1.21 0.00 0.00 61.69 62.25 1al2 s THR 24 Cb 0.00 -4.25 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 1al2 s THR 24 CO 0.00 0.07 0.45 -0.63 -2.21 0.00 0.00 174.62 172.29 1al2 s ILE 25 N 1.60 5.19 0.38 5.08 1.01 -1.26 -5.02 121.20 128.17 1al2 s ILE 25 Ca 0.51 0.85 0.08 0.00 0.00 0.00 0.00 60.65 62.09 1al2 s ILE 25 Cb -0.21 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1al2 s ILE 25 CO 0.23 0.29 0.23 0.20 0.00 0.00 0.00 174.94 175.88 1al2 s ASN 26 N 0.80 4.75 0.05 3.58 0.01 -1.26 -0.56 114.94 122.31 1al2 s ASN 26 Ca 0.23 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1al2 s ASN 26 Cb -0.15 -0.64 -0.03 0.00 0.41 0.00 0.00 41.25 40.84 1al2 s ASN 26 CO 0.09 -0.46 -0.05 -0.72 -1.51 0.00 0.00 177.10 174.45 1al2 s TYR 27 N -2.48 0.57 -0.05 2.20 1.13 0.15 -4.85 117.35 114.01 1al2 s TYR 27 Ca 0.42 -0.82 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1al2 s TYR 27 Cb -0.01 -0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 40.45 1al2 s TYR 27 CO 0.24 -0.24 -0.07 0.99 -2.51 0.00 0.00 175.55 173.96 1al2 s THR 28 N -2.87 3.65 -0.06 -3.49 2.01 -1.26 -1.64 115.64 111.99 1al2 s THR 28 Ca -0.00 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1al2 s THR 28 Cb 0.00 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1al2 s THR 28 CO -0.05 0.55 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.49 1al2 s THR 29 N -0.85 0.64 -0.12 -0.82 2.01 0.01 -4.97 115.64 111.54 1al2 s THR 29 Ca 0.13 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1al2 s THR 29 Cb -0.11 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1al2 s THR 29 CO 0.03 0.26 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.39 1al2 s ILE 30 N 1.10 1.87 -0.02 1.82 1.01 -1.26 -0.63 121.20 125.09 1al2 s ILE 30 Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1al2 s ILE 30 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1al2 s ILE 30 CO -0.01 0.52 1.01 0.20 0.00 0.00 0.00 174.94 176.65 1al2 s ASN 31 N 0.74 7.31 0.00 3.58 0.02 -1.26 -4.94 114.94 120.40 1al2 s ASN 31 Ca -0.10 1.66 0.22 0.00 -1.02 0.00 0.00 52.86 53.63 1al2 s ASN 31 Cb -0.16 -2.57 0.01 0.00 0.02 0.00 0.00 41.25 38.56 1al2 s ASN 31 CO 0.01 -0.32 1.06 -1.22 0.02 0.00 0.00 177.10 176.65 1al2 n TYR 32 N 4.17 0.01 -4.38 2.20 4.01 -1.26 -4.99 117.16 116.93 1al2 n TYR 32 Ca 0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.55 1al2 n TYR 32 Cb 0.50 -0.11 -0.12 0.00 -0.31 0.00 0.00 39.34 39.30 1al2 n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1al2 s TYR 33 N -3.02 2.14 0.39 -0.72 2.02 -1.26 -5.04 117.35 111.86 1al2 s TYR 33 Ca 0.08 -0.39 0.15 0.00 -0.37 0.00 0.00 57.07 56.54 1al2 s TYR 33 Cb 0.16 -1.11 0.87 0.00 -0.40 0.00 0.00 41.96 41.48 1al2 s TYR 33 CO 0.81 0.37 1.89 -0.09 -1.57 0.00 0.00 175.55 176.97 1al2 h ARG 34 N 3.58 0.00 -5.37 -0.62 2.43 -2.02 -3.43 114.38 108.95 1al2 h ARG 34 Ca -0.47 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.08 1al2 h ARG 34 Cb 1.19 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1al2 h ARG 34 CO 0.44 0.29 -0.07 -0.51 -1.51 0.00 0.00 179.97 178.61 1al2 s ASP 35 N -6.86 6.43 0.62 -3.80 1.01 -1.26 -4.94 116.67 107.88 1al2 s ASP 35 Ca -0.03 0.52 0.33 0.00 0.71 0.00 0.00 52.55 54.08 1al2 s ASP 35 Cb 0.15 -2.27 1.85 0.00 1.01 0.00 0.00 42.92 43.66 1al2 s ASP 35 CO 0.70 -0.23 2.14 0.77 0.21 0.00 0.00 175.17 178.77 1al2 h SER 36 N 7.85 0.00 -0.18 0.27 4.64 -1.99 0.87 113.55 125.01 1al2 h SER 36 Ca -0.31 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1al2 h SER 36 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1al2 h SER 36 CO 0.71 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.80 1al2 h ALA 37 N 1.76 2.12 0.00 5.18 0.00 -1.97 -1.46 119.26 124.89 1al2 h ALA 37 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1al2 h ALA 37 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1al2 h ALA 37 CO -0.00 -0.16 0.00 0.77 0.00 0.00 0.00 179.25 179.86 1al2 h SER 38 N 0.04 0.00 -4.05 0.00 0.02 -1.21 -3.46 113.55 104.90 1al2 h SER 38 Ca 0.08 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.49 1al2 h SER 38 Cb 0.28 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.94 1al2 h SER 38 CO -0.01 0.00 0.57 0.20 -1.14 0.00 0.00 176.83 176.45 1al2 s ASN 39 N -5.92 5.38 1.14 3.07 0.01 -0.55 -5.01 114.94 113.06 1al2 s ASN 39 Ca 0.04 2.64 -0.15 0.00 -0.71 0.00 0.00 52.86 54.68 1al2 s ASN 39 Cb 0.07 -2.63 0.26 0.00 0.41 0.00 0.00 41.25 39.36 1al2 s ASN 39 CO 0.60 -1.48 1.06 0.00 -1.51 0.00 0.00 177.10 175.77 1al2 s ALA 40 N -1.37 0.32 -0.04 0.60 0.00 -1.26 -4.99 121.76 115.02 1al2 s ALA 40 Ca 0.71 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1al2 s ALA 40 Cb -0.37 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1al2 s ALA 40 CO 0.44 -3.48 0.83 0.00 0.00 0.00 0.00 175.76 173.54 1al2 s ALA 41 N -2.80 3.26 0.42 0.00 0.00 -1.26 -4.97 121.76 116.42 1al2 s ALA 41 Ca 0.68 0.31 0.16 0.00 0.00 0.00 0.00 51.96 53.11 1al2 s ALA 41 Cb -0.17 -3.13 1.01 0.00 0.00 0.00 0.00 23.12 20.83 1al2 s ALA 41 CO 0.59 -0.17 1.96 0.66 0.00 0.00 0.00 175.76 178.80 1al2 h SER 42 N 6.79 0.00 -0.36 0.00 4.64 -2.04 -3.46 113.55 119.12 1al2 h SER 42 Ca -0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1al2 h SER 42 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1al2 h SER 42 CO 0.75 0.22 -0.14 0.29 -0.87 0.00 0.00 176.83 177.09 1al2 n LYS 43 N -4.14 -1.80 -2.71 4.77 4.76 -1.26 -4.90 118.16 112.88 1al2 n LYS 43 Ca -0.02 0.75 -0.43 0.00 -2.87 0.00 0.00 58.31 55.74 1al2 n LYS 43 Cb 0.29 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 1al2 n LYS 43 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1al2 n GLN 44 N -0.22 3.58 -4.05 1.97 6.02 -1.26 -4.98 117.38 118.44 1al2 n GLN 44 Ca -0.07 -3.80 -0.29 0.00 -0.01 0.00 0.00 57.00 52.83 1al2 n GLN 44 Cb 0.56 -2.92 -0.06 0.00 1.02 0.00 0.00 30.24 28.84 1al2 n GLN 44 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1al2 s ASP 45 N 1.51 5.63 0.12 1.08 1.01 -1.26 -5.12 116.67 119.64 1al2 s ASP 45 Ca 0.40 -0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.63 1al2 s ASP 45 Cb 0.03 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.39 1al2 s ASP 45 CO 0.01 0.12 0.29 -0.36 0.21 0.00 0.00 175.17 175.44 1al2 s PHE 46 N -1.56 3.50 0.25 4.23 0.08 -1.26 -5.10 117.98 118.12 1al2 s PHE 46 Ca 0.31 0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.69 1al2 s PHE 46 Cb -0.11 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1al2 s PHE 46 CO 0.23 0.51 0.37 -1.12 -0.10 0.00 0.00 175.22 175.12 1al2 s SER 47 N -2.78 6.30 0.10 1.36 0.01 -1.26 -5.13 113.70 112.29 1al2 s SER 47 Ca 0.37 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 1al2 s SER 47 Cb -0.12 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1al2 s SER 47 CO 0.28 -0.10 0.04 0.00 0.41 0.00 0.00 173.24 173.86 1al2 s GLN 48 N -4.01 0.80 0.31 12.44 -2.07 -1.26 -5.14 119.66 120.73 1al2 s GLN 48 Ca 0.35 -1.31 -0.29 0.00 -1.82 0.00 0.00 55.36 52.29 1al2 s GLN 48 Cb -0.09 0.24 -0.10 0.00 -1.09 0.00 0.00 33.01 31.97 1al2 s GLN 48 CO 0.29 -0.21 1.22 0.34 -1.32 0.00 0.00 175.29 175.61 1al2 s ASP 49 N -2.98 6.99 0.00 12.60 2.15 -1.26 -4.93 116.67 129.24 1al2 s ASP 49 Ca 0.16 2.50 0.24 0.00 0.43 0.00 0.00 52.55 55.88 1al2 s ASP 49 Cb 0.07 -2.64 1.15 0.00 -0.30 0.00 0.00 42.92 41.21 1al2 s ASP 49 CO -0.04 -0.36 1.78 -0.81 -0.17 0.00 0.00 175.17 175.57 1al2 n PRO 50 N 0.99 0.25 -0.32 4.34 -0.04 -1.26 -4.42 135.00 134.53 1al2 n PRO 50 Ca -0.00 0.07 0.29 0.00 -0.04 0.00 0.00 63.50 63.82 1al2 n PRO 50 Cb 0.43 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.94 1al2 n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1al2 h SER 51 N 0.00 0.33 -0.00 3.54 0.02 -1.94 0.18 113.55 115.68 1al2 h SER 51 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1al2 h SER 51 Cb 0.27 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1al2 h SER 51 CO 0.00 -0.36 0.00 0.07 -1.14 0.00 0.00 176.83 175.40 1al2 h LYS 52 N 0.08 0.00 0.00 3.45 2.10 -1.87 0.17 116.57 120.50 1al2 h LYS 52 Ca 0.81 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 59.20 1al2 h LYS 52 Cb 2.05 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.33 1al2 h LYS 52 CO -0.74 0.00 -1.98 1.19 -2.00 0.00 0.00 179.45 175.93 1al2 n PHE 53 N -3.23 0.00 0.02 0.07 3.72 0.51 -4.37 117.46 114.18 1al2 n PHE 53 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 1al2 n PHE 53 Cb 0.07 -0.66 -0.13 0.00 -0.94 0.00 0.00 39.48 37.82 1al2 n PHE 53 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1al2 h THR 54 N -0.04 1.23 -1.61 4.37 1.35 -1.00 -3.39 112.91 113.82 1al2 h THR 54 Ca -0.39 -3.01 -0.50 0.00 -0.55 0.00 0.00 66.41 61.96 1al2 h THR 54 Cb 1.58 2.62 -0.41 0.00 -1.73 0.00 0.00 68.15 70.21 1al2 h THR 54 CO -0.07 0.71 -0.94 -0.62 -0.25 0.00 0.00 175.52 174.36 1al2 n GLU 55 N -3.20 2.28 0.00 4.72 1.02 0.58 -4.95 120.64 121.08 1al2 n GLU 55 Ca -0.10 -4.01 0.00 0.00 -0.02 0.00 0.00 57.16 53.03 1al2 n GLU 55 Cb 1.00 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1al2 n GLU 55 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1al2 n PRO 56 N -0.17 0.40 -3.04 3.49 -0.04 -1.14 -4.79 135.00 129.71 1al2 n PRO 56 Ca 0.26 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.39 1al2 n PRO 56 Cb 0.65 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1al2 n PRO 56 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1al2 s ILE 57 N -0.99 4.57 0.10 0.52 -4.36 -1.26 -4.99 121.20 114.78 1al2 s ILE 57 Ca 0.00 1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 61.39 1al2 s ILE 57 Cb 0.00 -3.68 -0.06 0.00 1.25 0.00 0.00 42.46 39.97 1al2 s ILE 57 CO 0.00 -0.13 1.60 0.50 0.24 0.00 0.00 174.94 177.15 1al2 h LYS 58 N 2.44 0.44 -5.11 0.37 3.64 -2.04 -3.39 116.57 112.91 1al2 h LYS 58 Ca -0.48 -0.10 -0.67 0.00 -1.27 0.00 0.00 60.65 58.12 1al2 h LYS 58 Cb 1.18 -0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.77 1al2 h LYS 58 CO 0.64 0.52 -0.07 -0.51 -2.27 0.00 0.00 179.45 177.77 1al2 s ASP 59 N -5.82 6.25 -0.14 4.20 1.01 -1.26 -5.02 116.67 115.90 1al2 s ASP 59 Ca -0.13 -0.48 -0.18 0.00 0.71 0.00 0.00 52.55 52.46 1al2 s ASP 59 Cb 0.08 -2.26 -0.08 0.00 1.01 0.00 0.00 42.92 41.67 1al2 s ASP 59 CO 0.74 -0.65 0.58 0.52 0.21 0.00 0.00 175.17 176.57 1al2 n VAL 60 N 5.60 0.00 -2.99 -1.27 0.31 -1.26 -4.93 118.33 113.79 1al2 n VAL 60 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 1al2 n VAL 60 Cb 0.48 -0.14 -0.05 0.00 -0.91 0.00 0.00 33.84 33.22 1al2 n VAL 60 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1al2 s LEU 61 N 0.83 4.19 -0.51 7.52 0.05 -1.26 -5.03 118.68 124.47 1al2 s LEU 61 Ca 0.41 1.07 -0.16 0.00 0.05 0.00 0.00 54.13 55.50 1al2 s LEU 61 Cb -0.58 -3.10 0.10 0.00 -2.05 0.00 0.00 46.19 40.55 1al2 s LEU 61 CO 0.30 -0.31 0.48 -0.63 -0.55 0.00 0.00 176.35 175.64 1al2 s ILE 62 N 1.85 5.17 0.48 1.48 1.01 -1.26 -4.99 121.20 124.94 1al2 s ILE 62 Ca 0.35 -1.20 0.29 0.00 0.00 0.00 0.00 60.65 60.09 1al2 s ILE 62 Cb -0.17 -4.26 0.29 0.00 0.01 0.00 0.00 42.46 38.34 1al2 s ILE 62 CO 0.13 -0.76 1.87 0.07 0.00 0.00 0.00 174.94 176.25 1al2 h LYS 63 N 8.86 0.00 0.00 2.79 2.10 -1.98 -0.63 116.57 127.72 1al2 h LYS 63 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1al2 h LYS 63 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1al2 h LYS 63 CO 0.97 0.00 -0.56 1.79 -2.00 0.00 0.00 179.45 179.65 1al2 h THR 64 N 0.00 0.00 -3.75 0.07 1.35 -2.05 -3.47 112.91 105.07 1al2 h THR 64 Ca 0.00 -0.77 -0.49 0.00 -0.55 0.00 0.00 66.41 64.60 1al2 h THR 64 Cb 0.48 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1al2 h THR 64 CO 0.00 0.00 0.16 0.00 -0.25 0.00 0.00 175.52 175.43 1al2 s ALA 65 N -3.24 3.33 0.03 6.62 0.00 -0.24 -5.03 121.76 123.22 1al2 s ALA 65 Ca 0.05 -0.27 -0.36 0.00 0.00 0.00 0.00 51.96 51.37 1al2 s ALA 65 Cb 0.10 -2.73 -0.15 0.00 0.00 0.00 0.00 23.12 20.35 1al2 s ALA 65 CO 0.72 -0.20 1.56 -0.35 0.00 0.00 0.00 175.76 177.49 1al2 n PRO 66 N -1.78 1.63 0.27 0.00 -0.04 -1.26 -4.88 135.00 128.95 1al2 n PRO 66 Ca 0.02 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1al2 n PRO 66 Cb 0.54 -2.31 0.75 0.00 -0.04 0.00 0.00 33.50 32.44 1al2 n PRO 66 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1al2 h MET 67 N 6.11 0.00 -4.87 0.54 4.05 -1.94 -3.40 114.93 115.42 1al2 h MET 67 Ca -0.47 0.00 -0.63 0.00 -0.28 0.00 0.00 59.70 58.33 1al2 h MET 67 Cb 1.30 0.00 -0.35 0.00 -0.80 0.00 0.00 31.60 31.75 1al2 h MET 67 CO 0.87 0.04 -0.85 -0.51 0.23 0.00 0.00 176.91 176.70 1al2 s LEU 68 N -8.19 1.86 0.00 3.39 1.43 -1.26 -5.11 118.68 110.81 1al2 s LEU 68 Ca -0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1al2 s LEU 68 Cb 0.15 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1al2 s LEU 68 CO 0.61 0.00 0.00 -3.20 0.23 0.00 0.00 176.35 173.99