#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqp s SER 33 N 0.00 -0.14 -0.14 0.00 1.04 -1.26 -4.05 113.70 109.15 2aqp s SER 33 Ca 0.00 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.98 2aqp s SER 33 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2aqp s SER 33 CO 0.00 -0.87 -0.21 -0.63 0.98 0.00 0.00 173.24 172.52 2aqp s ILE 34 N -3.85 2.23 -0.30 -1.02 1.01 0.06 -4.95 121.20 114.39 2aqp s ILE 34 Ca 0.06 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 2aqp s ILE 34 Cb 0.02 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2aqp s ILE 34 CO -0.09 0.54 0.35 -0.70 0.00 0.00 0.00 174.94 175.05 2aqp s GLU 35 N 0.72 3.86 -0.21 2.79 2.12 -1.26 -0.21 118.70 126.51 2aqp s GLU 35 Ca -0.09 -0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.04 2aqp s GLU 35 Cb -0.16 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 2aqp s GLU 35 CO 0.00 -0.35 0.02 0.08 -0.54 0.00 0.00 175.26 174.48 2aqp s VAL 36 N 2.03 4.17 -0.01 3.70 1.01 0.28 -4.92 120.40 126.65 2aqp s VAL 36 Ca 0.13 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2aqp s VAL 36 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2aqp s VAL 36 CO 0.11 0.41 1.10 -0.75 0.00 0.00 0.00 175.10 175.97 2aqp s LYS 37 N 1.02 4.45 -0.04 2.72 2.20 -1.26 -1.04 119.74 127.79 2aqp s LYS 37 Ca 0.03 1.57 0.05 0.00 -0.36 0.00 0.00 55.97 57.26 2aqp s LYS 37 Cb -0.14 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2aqp s LYS 37 CO 0.02 -0.25 -0.20 0.08 -0.36 0.00 0.00 175.35 174.65 2aqp s VAL 38 N 1.48 2.58 -0.00 4.02 1.01 0.38 -4.21 120.40 125.65 2aqp s VAL 38 Ca 0.54 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2aqp s VAL 38 Cb -0.24 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2aqp s VAL 38 CO 0.25 0.58 -0.22 -1.10 0.00 0.00 0.00 175.10 174.61 2aqp s GLN 39 N -0.58 1.74 0.19 2.72 -0.21 -0.57 -1.65 119.66 121.31 2aqp s GLN 39 Ca 0.08 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 2aqp s GLN 39 Cb -0.11 -1.73 -0.09 0.00 1.00 0.00 0.00 33.01 32.08 2aqp s GLN 39 CO 0.00 0.47 1.29 -1.14 -2.12 0.00 0.00 175.29 173.79 2aqp s GLN 40 N -0.70 4.40 -0.18 2.91 0.74 0.50 -1.01 119.66 126.31 2aqp s GLN 40 Ca 0.09 2.02 -0.14 0.00 0.05 0.00 0.00 55.36 57.38 2aqp s GLN 40 Cb -0.09 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 2aqp s GLN 40 CO -0.00 -0.23 0.31 -0.51 -0.55 0.00 0.00 175.29 174.31 2aqp s LEU 41 N -0.10 4.20 -0.35 3.68 1.43 -0.39 -1.29 118.68 125.85 2aqp s LEU 41 Ca 0.56 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 54.17 2aqp s LEU 41 Cb -0.36 -2.38 0.17 0.00 0.03 0.00 0.00 46.19 43.65 2aqp s LEU 41 CO 0.38 0.04 0.48 -0.62 0.23 0.00 0.00 176.35 176.86 2aqp s ASP 42 N 0.73 -0.15 0.00 2.29 -1.08 -1.26 -4.94 116.67 112.26 2aqp s ASP 42 Ca 0.16 -0.85 0.11 0.00 -0.52 0.00 0.00 52.55 51.45 2aqp s ASP 42 Cb -0.14 1.28 0.48 0.00 -1.46 0.00 0.00 42.92 43.09 2aqp s ASP 42 CO 0.05 -0.26 1.33 -2.65 0.52 0.00 0.00 175.17 174.16 2aqp n PRO 43 N 4.70 0.03 -0.10 4.34 -0.02 -1.26 -1.37 135.00 141.32 2aqp n PRO 43 Ca 0.08 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 2aqp n PRO 43 Cb 0.51 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2aqp n PRO 43 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2aqp n VAL 44 N -1.45 1.50 1.05 -1.45 0.31 -1.26 -4.71 118.33 112.32 2aqp n VAL 44 Ca 0.03 0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.49 2aqp n VAL 44 Cb 0.12 -2.23 0.15 0.00 -0.91 0.00 0.00 33.84 30.97 2aqp n VAL 44 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2aqp n ASN 45 N -4.42 0.92 0.00 4.52 4.13 -1.23 -5.04 115.26 114.14 2aqp n ASN 45 Ca -0.24 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.29 2aqp n ASN 45 Cb 0.59 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 39.28 2aqp n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aqp n GLY 46 N 1.46 2.92 3.73 7.41 0.00 -0.47 -5.05 105.19 115.19 2aqp n GLY 46 Ca 0.07 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2aqp n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqp s ASN 47 N 0.00 4.35 -0.07 1.61 0.01 -1.19 -4.36 114.94 115.30 2aqp s ASN 47 Ca 0.00 2.34 0.04 0.00 -0.71 0.00 0.00 52.86 54.53 2aqp s ASN 47 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2aqp s ASN 47 CO 0.00 -2.15 -0.19 -0.75 -1.51 0.00 0.00 177.10 172.49 2aqp s LYS 48 N -3.86 2.29 0.19 -0.60 2.20 -0.42 -4.96 119.74 114.59 2aqp s LYS 48 Ca 0.74 -0.69 -0.32 0.00 -0.36 0.00 0.00 55.97 55.35 2aqp s LYS 48 Cb -0.29 -1.84 -0.11 0.00 -1.51 0.00 0.00 37.83 34.07 2aqp s LYS 48 CO 0.44 0.18 1.70 -0.51 -0.36 0.00 0.00 175.35 176.80 2aqp s ASP 49 N 0.29 6.42 0.00 1.43 1.01 -1.26 -0.37 116.67 124.18 2aqp s ASP 49 Ca -0.12 2.81 0.00 0.00 0.71 0.00 0.00 52.55 55.95 2aqp s ASP 49 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2aqp s ASP 49 CO 0.05 -0.95 0.79 1.33 0.21 0.00 0.00 175.17 176.60 2aqp n VAL 50 N 4.04 0.61 0.00 -1.27 0.24 -0.66 -4.85 118.33 116.44 2aqp n VAL 50 Ca 0.16 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2aqp n VAL 50 Cb 0.36 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2aqp n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqp n GLY 51 N -0.30 0.29 3.26 7.63 0.00 -1.21 -0.82 105.19 114.04 2aqp n GLY 51 Ca 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 2aqp n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqp s THR 52 N 0.00 1.03 -0.11 2.61 -4.23 -0.75 -0.47 115.64 113.73 2aqp s THR 52 Ca 0.00 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 2aqp s THR 52 Cb 0.00 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.87 2aqp s THR 52 CO 0.00 -0.63 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.60 2aqp s VAL 53 N -3.42 1.59 -0.20 2.29 1.01 -0.21 -0.31 120.40 121.14 2aqp s VAL 53 Ca 0.20 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2aqp s VAL 53 Cb 0.04 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2aqp s VAL 53 CO 0.02 0.46 0.04 -0.89 0.00 0.00 0.00 175.10 174.73 2aqp s THR 54 N 0.89 4.34 -0.20 3.92 2.01 -0.14 -0.56 115.64 125.91 2aqp s THR 54 Ca -0.08 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 2aqp s THR 54 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2aqp s THR 54 CO -0.00 0.43 0.07 -0.63 -0.69 0.00 0.00 174.62 173.79 2aqp s ILE 55 N 0.83 4.76 0.22 1.82 1.01 0.70 -0.47 121.20 130.08 2aqp s ILE 55 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.68 2aqp s ILE 55 Cb -0.14 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2aqp s ILE 55 CO 0.02 0.43 -0.06 0.42 0.00 0.00 0.00 174.94 175.76 2aqp s THR 56 N 0.64 1.29 -0.07 2.92 -4.23 -0.27 -0.76 115.64 115.16 2aqp s THR 56 Ca 0.04 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 2aqp s THR 56 Cb -0.13 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2aqp s THR 56 CO 0.01 -0.45 0.38 -1.61 -0.54 0.00 0.00 174.62 172.42 2aqp s GLU 57 N -3.78 4.05 0.36 3.99 2.02 -1.26 -0.84 118.70 123.24 2aqp s GLU 57 Ca 0.25 0.32 0.08 0.00 0.02 0.00 0.00 54.97 55.63 2aqp s GLU 57 Cb 0.04 -3.31 -0.07 0.00 0.10 0.00 0.00 34.13 30.89 2aqp s GLU 57 CO 0.07 0.49 -0.04 -1.54 0.02 0.00 0.00 175.26 174.27 2aqp s SER 58 N -0.39 3.52 0.00 -0.19 1.04 -0.57 -4.90 113.70 112.20 2aqp s SER 58 Ca 0.22 -1.28 0.05 0.00 0.48 0.00 0.00 55.95 55.42 2aqp s SER 58 Cb -0.15 -0.32 0.27 0.00 0.10 0.00 0.00 66.02 65.92 2aqp s SER 58 CO 0.10 -0.35 1.01 0.59 0.98 0.00 0.00 173.24 175.56 2aqp n ASN 59 N -0.82 0.00 -0.12 7.02 3.02 -1.26 -2.06 115.26 121.04 2aqp n ASN 59 Ca -0.05 0.21 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 2aqp n ASN 59 Cb 0.65 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.56 2aqp n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqp n TYR 60 N -1.28 0.03 0.00 3.10 4.01 -1.26 -5.12 117.16 116.64 2aqp n TYR 60 Ca 0.03 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2aqp n TYR 60 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2aqp n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqp n GLY 61 N 0.06 0.73 3.74 2.72 0.00 -0.88 -4.25 105.19 107.31 2aqp n GLY 61 Ca 0.02 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2aqp n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqp s LEU 62 N 0.00 4.55 -0.15 0.99 1.43 -0.13 -1.52 118.68 123.85 2aqp s LEU 62 Ca 0.00 1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 2aqp s LEU 62 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2aqp s LEU 62 CO 0.00 -0.05 -0.02 -0.69 0.23 0.00 0.00 176.35 175.82 2aqp s VAL 63 N -0.58 4.09 -0.33 -1.59 1.01 -0.02 -0.59 120.40 122.41 2aqp s VAL 63 Ca 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 2aqp s VAL 63 Cb -0.27 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.37 2aqp s VAL 63 CO 0.33 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.64 2aqp s PHE 64 N 0.15 3.28 -0.35 5.22 0.40 0.09 -1.11 117.98 125.66 2aqp s PHE 64 Ca -0.00 -1.71 -0.06 0.00 -0.60 0.00 0.00 56.93 54.56 2aqp s PHE 64 Cb -0.13 -2.27 0.05 0.00 0.51 0.00 0.00 43.02 41.18 2aqp s PHE 64 CO 0.02 -0.78 0.11 0.99 0.70 0.00 0.00 175.22 176.26 2aqp s THR 65 N 1.31 3.64 0.40 0.64 2.01 0.38 -1.37 115.64 122.66 2aqp s THR 65 Ca -0.03 -1.30 -0.22 0.00 0.31 0.00 0.00 61.69 60.46 2aqp s THR 65 Cb -0.20 -3.13 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 2aqp s THR 65 CO 0.00 -0.25 0.94 -2.16 -0.69 0.00 0.00 174.62 172.46 2aqp s PRO 66 N 1.35 4.29 -0.45 4.92 0.04 -1.26 -0.97 135.00 142.92 2aqp s PRO 66 Ca -0.01 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2aqp s PRO 66 Cb -0.20 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 32.19 2aqp s PRO 66 CO 0.01 0.04 0.36 0.34 0.04 0.00 0.00 177.00 177.80 2aqp s ASP 67 N -2.07 1.88 0.23 6.66 3.68 0.57 -3.99 116.67 123.64 2aqp s ASP 67 Ca 0.59 -3.17 0.12 0.00 2.13 0.00 0.00 52.55 52.22 2aqp s ASP 67 Cb -0.11 -0.60 -0.05 0.00 -1.45 0.00 0.00 42.92 40.72 2aqp s ASP 67 CO 0.15 -0.16 -0.21 -0.76 0.13 0.00 0.00 175.17 174.32 2aqp s LEU 68 N -0.14 2.54 0.08 -1.34 1.43 -0.47 -1.80 118.68 118.97 2aqp s LEU 68 Ca 0.32 -0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2aqp s LEU 68 Cb 0.03 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2aqp s LEU 68 CO -0.19 0.08 0.13 0.00 0.23 0.00 0.00 176.35 176.60 2aqp s GLN 69 N -3.06 0.78 0.00 1.70 1.03 -0.00 -1.63 119.66 118.48 2aqp s GLN 69 Ca 0.25 -1.03 0.00 0.00 0.04 0.00 0.00 55.36 54.62 2aqp s GLN 69 Cb -0.07 0.30 0.00 0.00 0.03 0.00 0.00 33.01 33.28 2aqp s GLN 69 CO 0.12 -0.22 0.00 0.41 -2.54 0.00 0.00 175.29 173.06 2aqp n GLY 70 N -0.01 0.53 3.88 2.60 0.00 -0.81 -4.59 105.19 106.80 2aqp n GLY 70 Ca -0.15 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 2aqp n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqp s LEU 71 N 0.00 4.13 0.24 0.99 1.43 -0.87 -5.06 118.68 119.54 2aqp s LEU 71 Ca 0.00 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 2aqp s LEU 71 Cb 0.00 -2.71 -0.11 0.00 0.03 0.00 0.00 46.19 43.40 2aqp s LEU 71 CO 0.00 0.06 1.53 -0.55 0.23 0.00 0.00 176.35 177.62 2aqp s SER 72 N -3.15 6.54 0.41 2.29 0.15 -1.26 -4.07 113.70 114.61 2aqp s SER 72 Ca 0.33 2.75 -0.26 0.00 0.70 0.00 0.00 55.95 59.47 2aqp s SER 72 Cb -0.11 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.50 2aqp s SER 72 CO 0.26 -0.80 1.32 0.00 1.20 0.00 0.00 173.24 175.22 2aqp s ALA 73 N 0.30 3.27 0.00 5.45 0.00 -1.26 -4.82 121.76 124.70 2aqp s ALA 73 Ca 0.63 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2aqp s ALA 73 Cb -0.44 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2aqp s ALA 73 CO 0.41 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2aqp n GLY 74 N 0.65 1.84 3.65 0.00 0.00 -0.44 -4.98 105.19 105.90 2aqp n GLY 74 Ca 0.04 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2aqp n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqp s LEU 75 N 0.00 4.11 -0.03 0.99 2.96 -1.26 -0.58 118.68 124.88 2aqp s LEU 75 Ca 0.00 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 2aqp s LEU 75 Cb 0.00 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2aqp s LEU 75 CO 0.00 -0.22 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.60 2aqp s HIS 76 N 1.88 1.93 0.38 5.38 3.76 0.03 -3.82 115.29 124.83 2aqp s HIS 76 Ca 0.23 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.41 2aqp s HIS 76 Cb -0.15 -1.26 -0.11 0.00 1.11 0.00 0.00 32.58 32.16 2aqp s HIS 76 CO 0.09 -0.10 1.27 0.41 -0.85 0.00 0.00 174.74 175.56 2aqp n GLY 77 N 2.80 0.53 2.71 -2.22 0.00 0.02 -0.94 105.19 108.09 2aqp n GLY 77 Ca -0.16 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2aqp n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqp s PHE 78 N -1.15 -0.10 0.05 1.61 5.36 -1.26 -0.67 117.98 121.82 2aqp s PHE 78 Ca 0.58 0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.56 2aqp s PHE 78 Cb -0.54 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 2aqp s PHE 78 CO 0.60 -0.54 0.10 -1.01 -1.46 0.00 0.00 175.22 172.91 2aqp s HIS 79 N 2.26 0.23 -0.06 10.12 3.76 -0.70 -2.76 115.29 128.14 2aqp s HIS 79 Ca 0.05 -0.58 -0.27 0.00 -0.15 0.00 0.00 55.06 54.11 2aqp s HIS 79 Cb -0.15 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 2aqp s HIS 79 CO -0.10 -0.39 0.87 0.42 -0.85 0.00 0.00 174.74 174.69 2aqp s ILE 80 N -2.93 4.92 0.30 0.60 -1.09 0.11 -0.55 121.20 122.55 2aqp s ILE 80 Ca -0.02 1.81 0.07 0.00 -2.23 0.00 0.00 60.65 60.28 2aqp s ILE 80 Cb 0.01 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2aqp s ILE 80 CO -0.06 0.15 0.25 -1.00 -1.23 0.00 0.00 174.94 173.05 2aqp s HIS 81 N 1.21 3.00 0.14 3.97 3.76 0.65 -0.55 115.29 127.47 2aqp s HIS 81 Ca 0.45 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 2aqp s HIS 81 Cb -0.19 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.89 2aqp s HIS 81 CO 0.22 0.34 1.60 1.05 -0.85 0.00 0.00 174.74 177.10 2aqp h GLU 82 N 1.36 0.76 -5.94 1.40 4.11 -0.69 -2.68 114.58 112.91 2aqp h GLU 82 Ca -0.46 -0.22 -0.62 0.00 0.07 0.00 0.00 59.36 58.12 2aqp h GLU 82 Cb 1.25 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2aqp h GLU 82 CO 0.59 0.81 -0.37 -0.80 0.07 0.00 0.00 179.01 179.31 2aqp s ASN 83 N -6.21 6.51 -1.57 3.06 0.01 -0.17 -4.56 114.94 112.00 2aqp s ASN 83 Ca -0.13 0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 52.49 2aqp s ASN 83 Cb 0.11 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.62 2aqp s ASN 83 CO 0.80 0.24 2.75 -0.81 -1.51 0.00 0.00 177.10 178.56 2aqp n PRO 84 N 1.04 3.52 -3.78 -0.60 -0.04 -1.24 -3.14 135.00 130.77 2aqp n PRO 84 Ca -0.10 -2.36 -0.13 0.00 -0.04 0.00 0.00 63.50 60.87 2aqp n PRO 84 Cb 0.53 -2.92 -0.11 0.00 -0.04 0.00 0.00 33.50 30.96 2aqp n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqp s SER 85 N 2.35 -0.26 -0.04 3.54 0.15 -1.26 -4.96 113.70 113.22 2aqp s SER 85 Ca 0.63 0.45 0.06 0.00 0.70 0.00 0.00 55.95 57.80 2aqp s SER 85 Cb 0.17 0.51 0.12 0.00 -1.71 0.00 0.00 66.02 65.11 2aqp s SER 85 CO -0.07 -0.16 1.07 0.00 1.20 0.00 0.00 173.24 175.29 2aqp s GLU 87 N -1.56 3.09 0.75 0.00 0.41 -1.26 -3.98 118.70 116.15 2aqp s GLU 87 Ca 0.12 1.49 -0.12 0.00 -0.41 0.00 0.00 54.97 56.05 2aqp s GLU 87 Cb 0.09 -1.98 0.04 0.00 -1.78 0.00 0.00 34.13 30.51 2aqp s GLU 87 CO 0.02 -1.03 1.11 -1.25 -0.49 0.00 0.00 175.26 173.61 2aqp s PRO 88 N -3.70 2.45 0.02 0.39 0.04 -1.26 -0.08 135.00 132.85 2aqp s PRO 88 Ca 0.70 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2aqp s PRO 88 Cb -0.22 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2aqp s PRO 88 CO 0.34 -1.33 0.05 0.15 0.04 0.00 0.00 177.00 176.25 2aqp s LYS 89 N -5.31 0.42 0.18 4.56 -0.14 -0.90 -4.48 119.74 114.06 2aqp s LYS 89 Ca 0.60 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 54.32 2aqp s LYS 89 Cb -0.12 0.16 -0.09 0.00 -1.68 0.00 0.00 37.83 36.10 2aqp s LYS 89 CO 0.52 -0.09 1.39 -2.00 -0.76 0.00 0.00 175.35 174.42 2aqp s GLU 90 N -1.69 4.32 -0.10 1.68 -6.30 -1.26 -1.11 118.70 114.25 2aqp s GLU 90 Ca -0.13 2.15 -0.04 0.00 -2.50 0.00 0.00 54.97 54.44 2aqp s GLU 90 Cb -0.07 -3.19 0.05 0.00 0.00 0.00 0.00 34.13 30.92 2aqp s GLU 90 CO -0.01 -0.39 0.21 0.21 0.02 0.00 0.00 175.26 175.30 2aqp s LYS 91 N 0.39 0.14 -1.55 4.30 2.20 -0.01 -4.89 119.74 120.32 2aqp s LYS 91 Ca 0.61 0.53 -0.14 0.00 -0.36 0.00 0.00 55.97 56.61 2aqp s LYS 91 Cb -0.39 -0.14 0.09 0.00 -1.51 0.00 0.00 37.83 35.89 2aqp s LYS 91 CO 0.36 -0.20 0.98 0.39 -0.36 0.00 0.00 175.35 176.51 2aqp n GLU 92 N 4.55 -5.39 -0.96 4.03 1.02 -1.26 -1.49 120.64 121.14 2aqp n GLU 92 Ca -0.20 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2aqp n GLU 92 Cb 0.52 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 2aqp n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqp n GLY 93 N -1.68 0.73 3.15 0.62 0.00 -1.26 -5.02 105.19 101.74 2aqp n GLY 93 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2aqp n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqp s LYS 94 N -0.04 2.62 -0.39 1.61 1.02 -0.55 -5.09 119.74 118.91 2aqp s LYS 94 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2aqp s LYS 94 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2aqp s LYS 94 CO 0.00 0.11 1.47 -1.17 -0.92 0.00 0.00 175.35 174.84 2aqp s LEU 95 N 0.50 3.59 -0.20 3.17 2.96 -1.26 -0.83 118.68 126.61 2aqp s LEU 95 Ca -0.16 0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 54.63 2aqp s LEU 95 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2aqp s LEU 95 CO 0.06 -1.46 0.00 -0.89 -1.32 0.00 0.00 176.35 172.75 2aqp s THR 96 N 5.61 3.95 0.10 3.68 2.01 -0.27 -4.87 115.64 125.85 2aqp s THR 96 Ca 0.64 -0.31 -0.36 0.00 0.31 0.00 0.00 61.69 61.97 2aqp s THR 96 Cb -0.15 -2.79 -0.16 0.00 0.01 0.00 0.00 72.50 69.40 2aqp s THR 96 CO 0.32 0.42 1.36 0.00 -0.69 0.00 0.00 174.62 176.04 2aqp n ALA 97 N 4.29 -0.70 -0.91 7.40 0.00 -1.26 -2.12 120.51 127.20 2aqp n ALA 97 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2aqp n ALA 97 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2aqp n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqp n GLY 98 N 2.59 0.35 0.27 0.00 0.00 -1.24 -4.50 105.19 102.66 2aqp n GLY 98 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.37 2aqp n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqp h LEU 99 N 0.00 0.00 -2.33 0.99 3.38 -1.42 -2.30 115.31 113.63 2aqp h LEU 99 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2aqp h LEU 99 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2aqp h LEU 99 CO 0.00 0.00 0.19 1.23 0.09 0.00 0.00 178.44 179.95 2aqp h GLY 100 N 2.01 0.00 2.00 0.83 0.00 -0.72 -1.76 103.07 105.43 2aqp h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqp h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aqp h ALA 101 N 1.72 1.00 -0.43 3.60 0.00 -1.27 -3.42 119.26 120.46 2aqp h ALA 101 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2aqp h ALA 101 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2aqp h ALA 101 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2aqp n GLY 102 N 0.19 -0.28 2.42 0.00 0.00 -0.66 -1.00 105.19 105.86 2aqp n GLY 102 Ca 0.02 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 2aqp n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 103 N 0.00 0.36 3.71 -0.02 0.00 -1.26 -4.64 105.19 103.34 2aqp n GLY 103 Ca 0.00 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2aqp n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqp n HIS 104 N -2.44 2.57 -1.84 1.61 8.25 -1.26 -0.59 115.22 121.52 2aqp n HIS 104 Ca 0.10 0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 2aqp n HIS 104 Cb 0.37 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.89 2aqp n HIS 104 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2aqp s TRP 105 N 0.14 2.21 -0.39 4.41 -0.00 0.28 -4.57 118.94 121.04 2aqp s TRP 105 Ca 0.67 0.13 0.11 0.00 -0.00 0.00 0.00 56.10 57.01 2aqp s TRP 105 Cb -0.56 -4.06 0.34 0.00 -0.00 0.00 0.00 33.47 29.19 2aqp s TRP 105 CO 0.47 -4.34 0.80 -3.47 -0.00 0.00 0.00 176.95 170.40 2aqp n ASP 106 N 5.86 0.17 0.25 5.86 2.03 -1.26 -1.50 116.55 127.95 2aqp n ASP 106 Ca 0.17 -3.13 0.12 0.00 0.52 0.00 0.00 54.79 52.47 2aqp n ASP 106 Cb 0.40 -0.12 0.63 0.00 -0.72 0.00 0.00 41.12 41.32 2aqp n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqp h PRO 107 N 3.05 0.00 -0.07 -0.67 0.13 -1.98 -1.63 132.00 130.84 2aqp h PRO 107 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2aqp h PRO 107 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2aqp h PRO 107 CO 0.43 0.16 0.00 1.63 -0.23 0.00 0.00 178.00 179.98 2aqp n LYS 108 N -3.52 1.57 -3.25 0.86 5.02 -1.26 -4.95 118.16 112.63 2aqp n LYS 108 Ca -0.01 -0.84 -0.20 0.00 -2.02 0.00 0.00 58.31 55.25 2aqp n LYS 108 Cb 0.31 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 2aqp n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqp n GLY 109 N 1.11 -0.31 0.28 0.72 0.00 -0.61 -4.92 105.19 101.46 2aqp n GLY 109 Ca 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 2aqp n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqp h ALA 110 N 0.85 1.35 -4.24 4.61 0.00 -1.87 -3.46 119.26 116.50 2aqp h ALA 110 Ca -0.47 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 53.87 2aqp h ALA 110 Cb 1.31 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2aqp h ALA 110 CO 0.47 0.45 -0.54 1.63 0.00 0.00 0.00 179.25 181.27 2aqp n LYS 111 N -4.29 -3.51 -3.50 0.00 5.02 -1.26 -4.89 118.16 105.72 2aqp n LYS 111 Ca 0.02 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 56.95 2aqp n LYS 111 Cb 0.23 -5.56 -0.05 0.00 -0.02 0.00 0.00 35.03 29.63 2aqp n LYS 111 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aqp s GLN 112 N -5.51 1.10 0.08 1.97 -2.07 -1.26 -5.06 119.66 108.91 2aqp s GLN 112 Ca 0.21 0.11 -0.18 0.00 -1.82 0.00 0.00 55.36 53.68 2aqp s GLN 112 Cb -0.10 0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 2aqp s GLN 112 CO 0.26 -0.38 0.55 -1.58 -1.32 0.00 0.00 175.29 172.82 2aqp s HIS 113 N -1.71 3.75 0.00 9.60 5.65 -1.26 -1.63 115.29 129.70 2aqp s HIS 113 Ca -0.09 1.20 0.00 0.00 0.25 0.00 0.00 55.06 56.43 2aqp s HIS 113 Cb -0.00 -2.45 0.00 0.00 -1.18 0.00 0.00 32.58 28.95 2aqp s HIS 113 CO 0.05 0.56 0.00 0.41 -0.65 0.00 0.00 174.74 175.11 2aqp n GLY 114 N 1.51 3.55 3.88 1.59 0.00 -1.26 -4.12 105.19 110.34 2aqp n GLY 114 Ca -0.09 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2aqp n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqp s TYR 115 N -0.90 3.44 0.56 1.61 2.02 -1.26 -4.59 117.35 118.23 2aqp s TYR 115 Ca 0.00 0.90 0.25 0.00 -0.37 0.00 0.00 57.07 57.84 2aqp s TYR 115 Cb 0.00 -2.29 1.60 0.00 -0.40 0.00 0.00 41.96 40.87 2aqp s TYR 115 CO 0.00 0.16 2.20 -1.35 -1.57 0.00 0.00 175.55 174.98 2aqp h PRO 116 N 2.08 0.00 -0.68 -1.71 0.11 -1.85 -2.24 132.00 127.71 2aqp h PRO 116 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2aqp h PRO 116 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2aqp h PRO 116 CO 0.67 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.79 2aqp n TRP 117 N -4.10 1.45 -3.70 0.65 2.14 -1.26 -4.23 117.44 108.39 2aqp n TRP 117 Ca -0.02 -0.60 -0.37 0.00 2.07 0.00 0.00 57.50 58.58 2aqp n TRP 117 Cb 0.12 -0.21 -0.12 0.00 -0.81 0.00 0.00 31.31 30.29 2aqp n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqp s GLN 118 N -1.73 3.63 0.49 -2.67 0.74 -0.84 -4.98 119.66 114.28 2aqp s GLN 118 Ca 0.52 -0.51 0.28 0.00 0.05 0.00 0.00 55.36 55.70 2aqp s GLN 118 Cb 0.32 -3.45 0.99 0.00 1.10 0.00 0.00 33.01 31.97 2aqp s GLN 118 CO 0.26 -0.25 1.84 -0.44 -0.55 0.00 0.00 175.29 176.16 2aqp h ASP 119 N 8.29 0.00 -0.85 6.67 3.32 -1.91 -2.88 116.42 129.06 2aqp h ASP 119 Ca -0.36 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.20 2aqp h ASP 119 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 2aqp h ASP 119 CO 0.58 0.09 0.48 -0.90 -1.72 0.00 0.00 179.24 177.77 2aqp n ASP 120 N -3.19 4.37 -4.71 6.45 3.85 -1.26 -4.91 116.55 117.15 2aqp n ASP 120 Ca 0.01 -3.69 -0.24 0.00 -0.71 0.00 0.00 54.79 50.15 2aqp n ASP 120 Cb 0.40 -0.80 -0.07 0.00 -1.35 0.00 0.00 41.12 39.30 2aqp n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqp s ALA 121 N -3.42 3.31 0.02 2.12 0.00 -1.09 -4.64 121.76 118.08 2aqp s ALA 121 Ca 0.56 -1.45 -0.39 0.00 0.00 0.00 0.00 51.96 50.68 2aqp s ALA 121 Cb 0.47 -1.03 -0.19 0.00 0.00 0.00 0.00 23.12 22.37 2aqp s ALA 121 CO 0.06 0.37 1.17 0.72 0.00 0.00 0.00 175.76 178.07 2aqp n HIS 122 N -0.62 0.94 0.31 0.00 8.25 -0.64 -4.79 115.22 118.66 2aqp n HIS 122 Ca -0.08 0.92 0.17 0.00 -0.26 0.00 0.00 57.72 58.46 2aqp n HIS 122 Cb 0.57 -2.17 0.98 0.00 1.12 0.00 0.00 29.99 30.48 2aqp n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqp h LEU 123 N 3.55 0.00 -0.08 2.41 5.85 -1.87 -1.84 115.31 123.31 2aqp h LEU 123 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2aqp h LEU 123 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2aqp h LEU 123 CO 0.70 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.41 2aqp n GLY 124 N -1.26 -0.91 3.60 3.75 0.00 -0.56 -4.80 105.19 105.01 2aqp n GLY 124 Ca -0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2aqp n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqp s ASP 125 N -1.71 6.49 0.33 1.61 1.01 -0.70 -0.72 116.67 122.99 2aqp s ASP 125 Ca 0.34 0.54 0.07 0.00 0.71 0.00 0.00 52.55 54.20 2aqp s ASP 125 Cb 0.16 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 2aqp s ASP 125 CO 0.26 -1.37 0.42 -0.76 0.21 0.00 0.00 175.17 173.94 2aqp s LEU 126 N 4.93 3.88 0.62 1.23 1.43 -1.11 -4.03 118.68 125.63 2aqp s LEU 126 Ca 0.52 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 2aqp s LEU 126 Cb -0.09 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2aqp s LEU 126 CO 0.31 -0.40 1.30 -2.84 0.23 0.00 0.00 176.35 174.95 2aqp s PRO 127 N -4.12 2.73 0.62 1.29 0.02 -1.26 -4.66 135.00 129.61 2aqp s PRO 127 Ca 0.44 2.08 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 2aqp s PRO 127 Cb -0.08 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 2aqp s PRO 127 CO 0.30 -1.47 1.20 0.00 -0.33 0.00 0.00 177.00 176.70 2aqp s ALA 128 N -1.39 2.47 -0.21 -1.55 0.00 -1.26 -4.53 121.76 115.29 2aqp s ALA 128 Ca 0.80 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 2aqp s ALA 128 Cb -0.38 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2aqp s ALA 128 CO 0.41 -1.29 0.28 -1.17 0.00 0.00 0.00 175.76 173.98 2aqp s LEU 129 N -4.30 4.16 -0.43 0.00 2.96 -0.11 -4.88 118.68 116.08 2aqp s LEU 129 Ca 0.76 0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 54.84 2aqp s LEU 129 Cb -0.30 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.09 2aqp s LEU 129 CO 0.36 0.02 0.58 -0.89 -1.32 0.00 0.00 176.35 175.10 2aqp s THR 130 N 0.99 4.90 -0.25 3.68 2.01 -1.26 -0.79 115.64 124.92 2aqp s THR 130 Ca 0.14 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 2aqp s THR 130 Cb -0.14 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2aqp s THR 130 CO 0.05 -0.53 0.48 -0.69 -0.69 0.00 0.00 174.62 173.25 2aqp s VAL 131 N 2.62 5.10 1.06 3.82 1.01 0.26 -4.54 120.40 129.73 2aqp s VAL 131 Ca 0.20 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2aqp s VAL 131 Cb -0.15 -3.80 0.22 0.00 0.00 0.00 0.00 36.38 32.65 2aqp s VAL 131 CO 0.17 0.12 1.07 -0.76 0.00 0.00 0.00 175.10 175.70 2aqp s LEU 132 N 2.12 1.36 0.42 3.92 1.43 0.10 -1.33 118.68 126.71 2aqp s LEU 132 Ca 0.20 1.36 0.12 0.00 -1.03 0.00 0.00 54.13 54.78 2aqp s LEU 132 Cb -0.16 -3.45 0.98 0.00 0.03 0.00 0.00 46.19 43.59 2aqp s LEU 132 CO 0.09 -3.53 1.97 0.45 0.23 0.00 0.00 176.35 175.56 2aqp h HIS 133 N -2.16 0.50 -0.16 0.29 3.86 -1.97 -0.13 115.15 115.37 2aqp h HIS 133 Ca -0.57 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 2aqp h HIS 133 Cb 1.33 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2aqp h HIS 133 CO 0.29 0.24 0.00 -0.40 0.86 0.00 0.00 177.93 178.92 2aqp n ASP 134 N -4.48 1.44 0.00 2.45 3.85 -1.26 -4.70 116.55 113.85 2aqp n ASP 134 Ca 0.10 -1.71 0.00 0.00 -0.71 0.00 0.00 54.79 52.47 2aqp n ASP 134 Cb 0.36 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 2aqp n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqp n GLY 135 N 1.06 0.63 3.96 6.12 0.00 -0.06 -4.69 105.19 112.21 2aqp n GLY 135 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2aqp n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqp s THR 136 N -2.47 5.13 -0.11 2.61 -4.23 -1.26 -1.92 115.64 113.40 2aqp s THR 136 Ca 0.00 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 2aqp s THR 136 Cb 0.00 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.05 2aqp s THR 136 CO 0.00 -0.44 0.22 0.00 -0.54 0.00 0.00 174.62 173.86 2aqp s ALA 137 N -2.17 -0.44 0.00 3.99 0.00 -0.64 0.01 121.76 122.50 2aqp s ALA 137 Ca 0.38 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2aqp s ALA 137 Cb -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2aqp s ALA 137 CO 0.33 -0.45 0.07 0.25 0.00 0.00 0.00 175.76 175.97 2aqp n THR 138 N 4.90 0.00 -2.76 0.00 -2.24 -1.26 -1.37 114.28 111.56 2aqp n THR 138 Ca -0.14 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 2aqp n THR 138 Cb 0.51 1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 2aqp n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqp s ASN 139 N -0.12 7.01 0.60 3.42 3.04 -1.26 -4.51 114.94 123.12 2aqp s ASN 139 Ca 0.00 1.26 -0.14 0.00 0.04 0.00 0.00 52.86 54.02 2aqp s ASN 139 Cb 0.00 -2.50 -0.04 0.00 -1.54 0.00 0.00 41.25 37.17 2aqp s ASN 139 CO 0.00 -0.58 1.03 -2.16 -3.04 0.00 0.00 177.10 172.35 2aqp s PRO 140 N 2.89 3.49 0.03 0.43 0.04 -1.26 -4.49 135.00 136.13 2aqp s PRO 140 Ca 0.41 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2aqp s PRO 140 Cb -0.15 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2aqp s PRO 140 CO 0.08 -0.66 -0.06 0.14 0.04 0.00 0.00 177.00 176.54 2aqp s VAL 141 N -2.80 0.41 -0.15 -0.36 -7.23 -0.47 -4.97 120.40 104.83 2aqp s VAL 141 Ca 0.59 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.87 2aqp s VAL 141 Cb -0.13 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 2aqp s VAL 141 CO 0.43 -0.28 0.07 -0.22 -0.31 0.00 0.00 175.10 174.78 2aqp s LEU 142 N -1.19 3.90 -0.69 1.32 2.96 -1.26 -0.74 118.68 122.98 2aqp s LEU 142 Ca -0.08 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2aqp s LEU 142 Cb -0.08 -1.96 0.18 0.00 0.50 0.00 0.00 46.19 44.83 2aqp s LEU 142 CO 0.00 0.28 0.55 0.00 -1.32 0.00 0.00 176.35 175.86 2aqp s ALA 143 N -0.25 3.75 0.23 5.97 0.00 0.25 -4.55 121.76 127.15 2aqp s ALA 143 Ca 0.08 -3.25 0.36 0.00 0.00 0.00 0.00 51.96 49.16 2aqp s ALA 143 Cb -0.12 -2.97 1.62 0.00 0.00 0.00 0.00 23.12 21.65 2aqp s ALA 143 CO 0.01 -2.16 2.08 -1.00 0.00 0.00 0.00 175.76 174.70 2aqp h PRO 144 N 7.35 0.00 -0.00 0.00 0.13 -1.78 -2.28 132.00 135.42 2aqp h PRO 144 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2aqp h PRO 144 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2aqp h PRO 144 CO 0.73 0.00 -0.15 0.54 -0.23 0.00 0.00 178.00 178.89 2aqp n ARG 145 N -3.09 0.35 -3.61 0.86 1.74 -1.26 -4.59 116.66 107.07 2aqp n ARG 145 Ca -0.00 -0.11 -0.37 0.00 -0.77 0.00 0.00 57.85 56.59 2aqp n ARG 145 Cb 0.25 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 2aqp n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqp s LEU 146 N -2.73 4.08 -0.03 0.55 1.43 -0.87 -5.00 118.68 116.11 2aqp s LEU 146 Ca 0.21 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 2aqp s LEU 146 Cb 0.19 -2.14 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 2aqp s LEU 146 CO 0.53 0.01 0.15 0.29 0.23 0.00 0.00 176.35 177.56 2aqp n LYS 147 N 4.62 0.84 -4.18 1.70 4.76 -1.26 -0.96 118.16 123.69 2aqp n LYS 147 Ca -0.14 -0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.08 2aqp n LYS 147 Cb 0.52 -1.20 -0.14 0.00 -1.84 0.00 0.00 35.03 32.36 2aqp n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqp s HIS 148 N -2.50 0.50 0.27 2.13 3.76 -1.26 -4.77 115.29 113.42 2aqp s HIS 148 Ca -0.03 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 2aqp s HIS 148 Cb 0.05 -0.33 0.58 0.00 1.11 0.00 0.00 32.58 33.98 2aqp s HIS 148 CO 0.35 -0.01 1.77 -0.07 -0.85 0.00 0.00 174.74 175.93 2aqp h LEU 149 N 6.05 0.63 -2.15 0.89 3.38 -1.96 -1.39 115.31 120.77 2aqp h LEU 149 Ca -0.28 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2aqp h LEU 149 Cb 1.19 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2aqp h LEU 149 CO 0.50 0.27 -0.01 0.44 0.09 0.00 0.00 178.44 179.72 2aqp h ASP 150 N 0.70 0.00 0.14 -0.43 3.45 -1.98 -2.34 116.42 115.96 2aqp h ASP 150 Ca 0.49 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.92 2aqp h ASP 150 Cb 0.68 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 2aqp h ASP 150 CO -0.35 0.01 -0.12 0.44 -1.57 0.00 0.00 179.24 177.64 2aqp h ASP 151 N 0.00 0.00 -0.02 6.45 3.45 -1.67 -2.97 116.42 121.65 2aqp h ASP 151 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2aqp h ASP 151 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 2aqp h ASP 151 CO 0.00 0.12 -0.18 1.33 -1.57 0.00 0.00 179.24 178.95 2aqp n VAL 152 N -4.28 0.00 -1.96 -1.35 0.24 -0.88 -4.95 118.33 105.15 2aqp n VAL 152 Ca -0.03 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.47 2aqp n VAL 152 Cb 0.20 1.37 0.01 0.00 -1.47 0.00 0.00 33.84 33.95 2aqp n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqp s ARG 153 N -2.03 3.80 0.00 7.34 0.52 -1.12 -3.18 118.95 124.28 2aqp s ARG 153 Ca 0.22 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 2aqp s ARG 153 Cb 0.18 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2aqp s ARG 153 CO 0.38 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.45 2aqp n GLY 154 N 0.63 0.46 0.08 -3.53 0.00 0.47 -5.00 105.19 98.30 2aqp n GLY 154 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 2aqp n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqp n HIS 155 N -3.41 -0.00 -4.23 1.61 8.25 -1.19 -3.62 115.22 112.63 2aqp n HIS 155 Ca 0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 2aqp n HIS 155 Cb 0.26 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.27 2aqp n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqp s SER 156 N -1.06 1.83 -0.12 0.41 1.04 -1.01 -1.03 113.70 113.77 2aqp s SER 156 Ca 0.01 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2aqp s SER 156 Cb 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2aqp s SER 156 CO 0.00 -0.21 -0.15 -0.51 0.98 0.00 0.00 173.24 173.35 2aqp s ILE 157 N -2.49 2.93 -0.05 -1.02 2.07 0.34 -0.25 121.20 122.73 2aqp s ILE 157 Ca 0.10 -0.71 0.06 0.00 -1.41 0.00 0.00 60.65 58.69 2aqp s ILE 157 Cb -0.03 -2.21 -0.01 0.00 0.13 0.00 0.00 42.46 40.34 2aqp s ILE 157 CO 0.02 0.54 -0.25 -0.32 -1.91 0.00 0.00 174.94 173.02 2aqp s MET 158 N 0.22 2.39 -0.21 3.50 -2.45 0.29 -1.24 119.30 121.80 2aqp s MET 158 Ca -0.09 -0.89 -0.01 0.00 -1.25 0.00 0.00 55.69 53.45 2aqp s MET 158 Cb -0.16 -2.08 0.01 0.00 1.25 0.00 0.00 34.83 33.85 2aqp s MET 158 CO 0.05 0.41 -0.11 0.42 1.05 0.00 0.00 175.02 176.84 2aqp s ILE 159 N -0.24 2.75 0.48 10.11 1.01 0.29 -1.72 121.20 133.88 2aqp s ILE 159 Ca -0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2aqp s ILE 159 Cb -0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2aqp s ILE 159 CO 0.03 0.44 0.75 -1.00 0.00 0.00 0.00 174.94 175.16 2aqp s HIS 160 N 1.38 3.40 0.10 3.97 3.76 0.15 -0.75 115.29 127.30 2aqp s HIS 160 Ca 0.05 0.56 -0.15 0.00 -0.15 0.00 0.00 55.06 55.37 2aqp s HIS 160 Cb -0.14 -2.35 -0.09 0.00 1.11 0.00 0.00 32.58 31.11 2aqp s HIS 160 CO -0.08 -0.37 1.41 1.15 -0.85 0.00 0.00 174.74 176.01 2aqp h THR 161 N 0.25 1.30 -3.08 1.30 2.02 -1.04 -3.38 112.91 110.27 2aqp h THR 161 Ca -0.47 -1.50 -0.15 0.00 0.77 0.00 0.00 66.41 65.07 2aqp h THR 161 Cb 1.23 1.60 0.05 0.00 -1.74 0.00 0.00 68.15 69.29 2aqp h THR 161 CO 0.60 0.48 0.10 0.61 0.37 0.00 0.00 175.52 177.69 2aqp n GLY 162 N 0.20 -0.57 0.00 2.16 0.00 0.22 -4.89 105.19 102.31 2aqp n GLY 162 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2aqp n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 163 N 2.26 0.63 3.05 -0.02 0.00 -1.25 -0.80 105.19 109.07 2aqp n GLY 163 Ca 0.05 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 2aqp n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqp s ASP 164 N -1.00 -0.74 -0.00 1.61 -1.08 -1.23 -2.97 116.67 111.26 2aqp s ASP 164 Ca 0.00 0.18 0.09 0.00 -0.52 0.00 0.00 52.55 52.30 2aqp s ASP 164 Cb 0.00 1.67 0.26 0.00 -1.46 0.00 0.00 42.92 43.39 2aqp s ASP 164 CO 0.00 -0.31 1.21 -0.46 0.52 0.00 0.00 175.17 176.13 2aqp n ASN 165 N 5.40 1.56 -3.31 -0.34 6.94 -0.67 -4.92 115.26 119.91 2aqp n ASN 165 Ca 0.01 -2.00 -0.23 0.00 -0.02 0.00 0.00 54.58 52.34 2aqp n ASN 165 Cb 0.51 -0.20 0.06 0.00 -2.36 0.00 0.00 39.78 37.80 2aqp n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqp n HIS 166 N 0.34 -2.46 -3.71 -2.53 8.25 -1.26 -4.98 115.22 108.87 2aqp n HIS 166 Ca 0.10 0.79 -0.10 0.00 -0.26 0.00 0.00 57.72 58.24 2aqp n HIS 166 Cb 0.25 -4.79 -0.05 0.00 1.12 0.00 0.00 29.99 26.52 2aqp n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqp s SER 167 N -3.04 -0.16 0.00 0.41 0.15 -1.26 -4.08 113.70 105.73 2aqp s SER 167 Ca 0.46 -0.45 0.17 0.00 0.70 0.00 0.00 55.95 56.83 2aqp s SER 167 Cb -0.20 0.46 0.56 0.00 -1.71 0.00 0.00 66.02 65.13 2aqp s SER 167 CO 0.56 -0.87 1.42 0.47 1.20 0.00 0.00 173.24 176.03 2aqp n ASP 168 N -0.22 1.85 -4.16 5.45 8.00 -1.26 -0.44 116.55 125.78 2aqp n ASP 168 Ca -0.14 -1.84 -0.26 0.00 0.71 0.00 0.00 54.79 53.25 2aqp n ASP 168 Cb 0.63 -0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 41.40 2aqp n ASP 168 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2aqp s HIS 169 N -1.66 1.75 -0.93 1.24 2.46 -1.26 -3.42 115.29 113.48 2aqp s HIS 169 Ca 0.29 -0.44 0.27 0.00 0.47 0.00 0.00 55.06 55.65 2aqp s HIS 169 Cb 0.16 -1.16 0.93 0.00 -0.13 0.00 0.00 32.58 32.37 2aqp s HIS 169 CO 0.22 -0.12 1.73 -0.35 -2.47 0.00 0.00 174.74 173.76 2aqp n PRO 170 N 2.93 0.06 -4.77 2.88 -0.04 -1.26 -4.98 135.00 129.83 2aqp n PRO 170 Ca -0.17 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2aqp n PRO 170 Cb 0.53 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2aqp n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqp s ALA 171 N -3.03 2.49 0.52 0.55 0.00 -1.24 -5.09 121.76 115.96 2aqp s ALA 171 Ca 0.12 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.66 2aqp s ALA 171 Cb 0.17 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 2aqp s ALA 171 CO 0.60 0.56 1.31 -2.30 0.00 0.00 0.00 175.76 175.92 2aqp n PRO 172 N 1.69 1.70 -3.70 0.00 -0.02 -1.22 -3.29 135.00 130.16 2aqp n PRO 172 Ca -0.16 0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 61.68 2aqp n PRO 172 Cb 0.52 -2.50 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 2aqp n PRO 172 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aqp n LEU 173 N -0.67 -3.15 0.00 2.45 4.77 -1.25 -1.75 117.00 117.40 2aqp n LEU 173 Ca 0.10 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2aqp n LEU 173 Cb 0.44 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 2aqp n LEU 173 CO 0.55 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2aqp n GLY 174 N -1.83 0.68 1.83 -0.72 0.00 0.42 -2.61 105.19 102.96 2aqp n GLY 174 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2aqp n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 175 N -2.02 0.49 0.36 -0.02 0.00 -0.72 -1.66 105.19 101.62 2aqp n GLY 175 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2aqp n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqp h GLY 176 N 0.00 1.24 0.00 -0.02 0.00 -1.39 -3.32 103.07 99.58 2aqp h GLY 176 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2aqp h GLY 176 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 176.54 177.62 2aqp n GLY 177 N -1.34 2.04 3.56 4.60 0.00 -1.26 -0.61 105.19 112.18 2aqp n GLY 177 Ca 0.10 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2aqp n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqp n PRO 178 N 10.13 -1.44 -3.50 1.61 -0.02 -1.26 -4.74 135.00 135.78 2aqp n PRO 178 Ca 0.00 -0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 60.69 2aqp n PRO 178 Cb 0.00 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 2aqp n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqp s ARG 179 N -4.48 3.25 -0.16 -0.52 0.52 -1.26 -0.91 118.95 115.39 2aqp s ARG 179 Ca 0.67 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 2aqp s ARG 179 Cb -0.24 -3.88 -0.23 0.00 0.52 0.00 0.00 34.95 31.12 2aqp s ARG 179 CO 0.62 -0.58 0.31 1.98 0.02 0.00 0.00 175.30 177.64 2aqp h MET 180 N 8.55 0.13 -3.73 3.54 1.85 -1.21 -3.44 114.93 120.63 2aqp h MET 180 Ca -0.29 -0.23 -0.08 0.00 -0.61 0.00 0.00 59.70 58.49 2aqp h MET 180 Cb 1.14 0.09 -0.14 0.00 0.43 0.00 0.00 31.60 33.12 2aqp h MET 180 CO 0.68 1.11 -0.32 0.00 -0.40 0.00 0.00 176.91 177.98 2aqp s ALA 181 N -2.46 -0.36 -0.03 0.39 0.00 -0.62 -1.26 121.76 117.42 2aqp s ALA 181 Ca -0.25 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2aqp s ALA 181 Cb 0.06 0.52 0.08 0.00 0.00 0.00 0.00 23.12 23.78 2aqp s ALA 181 CO 0.68 -0.53 0.71 0.00 0.00 0.00 0.00 175.76 176.62 2aqp s GLY 183 N -1.43 0.26 -0.20 0.00 0.00 -0.37 -1.51 107.32 104.07 2aqp s GLY 183 Ca -0.08 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 2aqp s GLY 183 CO 0.06 -0.90 0.23 0.14 0.00 0.00 0.00 173.10 172.62 2aqp s VAL 184 N -3.16 5.34 -0.42 1.40 1.01 -1.26 -0.50 120.40 122.80 2aqp s VAL 184 Ca -0.00 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 2aqp s VAL 184 Cb 0.02 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2aqp s VAL 184 CO -0.07 0.38 0.67 -0.63 0.00 0.00 0.00 175.10 175.45 2aqp s ILE 185 N 0.68 4.80 -0.59 2.22 1.01 -0.20 -4.66 121.20 124.46 2aqp s ILE 185 Ca 0.12 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.12 2aqp s ILE 185 Cb -0.13 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.18 2aqp s ILE 185 CO 0.03 -0.55 0.65 0.29 0.00 0.00 0.00 174.94 175.35