#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nam s ILE 1 N 0.00 0.10 -0.32 3.17 1.01 -1.26 -5.15 121.20 118.75 1nam s ILE 1 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1nam s ILE 1 Cb 0.00 -0.48 0.07 0.00 0.01 0.00 0.00 42.46 42.07 1nam s ILE 1 CO 0.00 -0.46 0.04 -1.10 0.00 0.00 0.00 174.94 173.42 1nam s GLN 2 N -1.64 2.18 0.04 2.79 -0.21 -1.26 -4.75 119.66 116.80 1nam s GLN 2 Ca -0.13 -1.48 -0.20 0.00 0.02 0.00 0.00 55.36 53.56 1nam s GLN 2 Cb -0.07 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.64 1nam s GLN 2 CO -0.00 -0.76 0.60 0.15 -2.12 0.00 0.00 175.29 173.16 1nam s LYS 3 N 1.16 4.28 -0.13 2.91 -0.14 -1.16 -4.95 119.74 121.71 1nam s LYS 3 Ca -0.01 0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 55.20 1nam s LYS 3 Cb -0.20 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1nam s LYS 3 CO -0.03 0.51 0.43 0.99 -0.76 0.00 0.00 175.35 176.48 1nam s THR 4 N -0.68 5.22 0.52 2.17 2.01 -1.24 -2.98 115.64 120.66 1nam s THR 4 Ca 0.30 0.84 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 1nam s THR 4 Cb -0.19 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1nam s THR 4 CO 0.19 0.35 1.37 -2.16 -0.69 0.00 0.00 174.62 173.67 1nam s PRO 5 N 0.54 3.30 -0.26 4.92 0.04 -1.26 -4.67 135.00 137.62 1nam s PRO 5 Ca 0.23 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 1nam s PRO 5 Cb -0.15 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1nam s PRO 5 CO 0.09 -1.07 -0.05 -0.65 0.04 0.00 0.00 177.00 175.36 1nam s GLN 6 N -2.78 2.70 -0.18 4.56 -1.52 0.08 -4.95 119.66 117.56 1nam s GLN 6 Ca 0.69 -1.07 -0.09 0.00 -1.95 0.00 0.00 55.36 52.93 1nam s GLN 6 Cb -0.41 -3.02 -0.05 0.00 -0.22 0.00 0.00 33.01 29.31 1nam s GLN 6 CO 0.49 -0.46 0.14 0.96 -0.25 0.00 0.00 175.29 176.17 1nam s ILE 7 N 1.29 5.43 -0.54 1.08 -5.25 -1.26 -2.00 121.20 119.95 1nam s ILE 7 Ca -0.02 0.21 0.04 0.00 -0.99 0.00 0.00 60.65 59.89 1nam s ILE 7 Cb -0.18 -3.46 0.13 0.00 2.95 0.00 0.00 42.46 41.91 1nam s ILE 7 CO -0.04 0.48 0.29 -1.10 -1.79 0.00 0.00 174.94 172.78 1nam s GLN 8 N 0.07 2.01 0.23 0.37 -1.52 0.21 -5.01 119.66 116.02 1nam s GLN 8 Ca 0.10 -2.69 -0.30 0.00 -1.95 0.00 0.00 55.36 50.52 1nam s GLN 8 Cb -0.11 -3.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.29 1nam s GLN 8 CO -0.01 -1.13 1.36 0.08 -0.25 0.00 0.00 175.29 175.34 1nam s VAL 9 N -0.41 2.95 0.00 1.09 1.01 -1.26 -3.26 120.40 120.51 1nam s VAL 9 Ca 0.18 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1nam s VAL 9 Cb -0.23 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1nam s VAL 9 CO -0.02 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.21 1nam n TYR 10 N 2.34 0.00 -2.94 5.22 0.18 -1.26 -4.88 117.16 115.81 1nam n TYR 10 Ca 0.06 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.54 1nam n TYR 10 Cb 0.42 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.35 1nam n TYR 10 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1nam s SER 11 N 0.00 6.47 0.11 9.48 1.04 -1.25 -4.27 113.70 125.28 1nam s SER 11 Ca 0.00 1.00 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 1nam s SER 11 Cb 0.00 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 1nam s SER 11 CO 0.00 -0.38 1.48 -0.09 0.98 0.00 0.00 173.24 175.24 1nam h ARG 12 N 1.21 0.71 -5.57 4.02 2.43 -1.89 -3.47 114.38 111.82 1nam h ARG 12 Ca -0.47 -0.31 -0.57 0.00 -0.81 0.00 0.00 59.98 57.82 1nam h ARG 12 Cb 1.19 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 1nam h ARG 12 CO 0.64 0.91 -0.63 -1.01 -1.51 0.00 0.00 179.97 178.37 1nam s HIS 13 N -4.63 2.27 0.92 2.20 3.76 -1.26 -5.14 115.29 113.41 1nam s HIS 13 Ca -0.13 -0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 53.95 1nam s HIS 13 Cb 0.09 -1.48 0.11 0.00 1.11 0.00 0.00 32.58 32.41 1nam s HIS 13 CO 0.81 0.33 0.95 -2.30 -0.85 0.00 0.00 174.74 173.69 1nam n PRO 14 N -0.81 -0.37 -1.89 8.40 -0.02 -1.26 -4.91 135.00 134.14 1nam n PRO 14 Ca -0.04 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 1nam n PRO 14 Cb 0.66 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1nam n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nam s PRO 15 N -4.32 4.19 0.00 0.52 0.04 -0.91 -5.00 135.00 129.52 1nam s PRO 15 Ca 0.65 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.14 1nam s PRO 15 Cb -0.23 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1nam s PRO 15 CO 0.60 -0.50 0.00 -1.91 0.04 0.00 0.00 177.00 175.23 1nam n GLU 16 N 1.77 0.00 -1.96 4.56 0.00 -1.26 -5.09 120.64 118.66 1nam n GLU 16 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.81 1nam n GLU 16 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.82 1nam n GLU 16 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1nam s ASN 17 N 0.00 6.57 0.00 4.31 0.02 -1.26 -4.35 114.94 120.23 1nam s ASN 17 Ca 0.00 2.84 0.00 0.00 -1.02 0.00 0.00 52.86 54.68 1nam s ASN 17 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.62 1nam s ASN 17 CO 0.00 -0.72 0.00 0.61 0.02 0.00 0.00 177.10 177.01 1nam n GLY 18 N 1.02 2.57 3.68 0.66 0.00 -1.20 -4.97 105.19 106.95 1nam n GLY 18 Ca 0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1nam n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nam s LYS 19 N 0.00 4.33 -0.36 1.61 -0.14 -1.26 -4.81 119.74 119.11 1nam s LYS 19 Ca 0.00 1.05 -0.29 0.00 -1.36 0.00 0.00 55.97 55.37 1nam s LYS 19 Cb 0.00 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.61 1nam s LYS 19 CO 0.00 -0.28 1.16 -1.25 -0.76 0.00 0.00 175.35 174.22 1nam s PRO 20 N 1.98 3.93 0.00 -1.68 0.04 -1.26 -3.71 135.00 134.30 1nam s PRO 20 Ca 0.39 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1nam s PRO 20 Cb -0.17 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1nam s PRO 20 CO 0.14 -1.10 0.00 0.27 0.04 0.00 0.00 177.00 176.35 1nam n ASN 21 N 7.37 0.00 -3.82 6.66 6.94 -0.78 -5.01 115.26 126.63 1nam n ASN 21 Ca 0.13 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.52 1nam n ASN 21 Cb 0.47 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.73 1nam n ASN 21 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nam s ILE 22 N 3.10 0.20 -0.11 1.53 1.01 -1.26 -3.30 121.20 122.37 1nam s ILE 22 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1nam s ILE 22 Cb 0.00 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1nam s ILE 22 CO 0.00 0.15 0.05 -0.22 0.00 0.00 0.00 174.94 174.91 1nam s LEU 23 N 1.00 3.83 0.00 2.97 2.96 -1.21 -4.58 118.68 123.65 1nam s LEU 23 Ca -0.10 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1nam s LEU 23 Cb -0.14 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1nam s LEU 23 CO -0.02 0.36 -0.23 0.20 -1.32 0.00 0.00 176.35 175.35 1nam s ASN 24 N -0.74 2.68 0.09 3.68 -0.87 -1.26 -1.58 114.94 116.93 1nam s ASN 24 Ca 0.12 -0.45 0.05 0.00 -1.57 0.00 0.00 52.86 51.01 1nam s ASN 24 Cb -0.12 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.25 40.80 1nam s ASN 24 CO 0.03 0.26 -0.13 0.00 -2.57 0.00 0.00 177.10 174.68 1nam s TYR 26 N -1.77 0.73 -0.17 0.00 5.04 -1.20 0.23 117.35 120.22 1nam s TYR 26 Ca 0.02 -0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 53.64 1nam s TYR 26 Cb -0.07 -1.06 -0.03 0.00 0.35 0.00 0.00 41.96 41.15 1nam s TYR 26 CO 0.02 -0.74 0.00 0.08 -1.34 0.00 0.00 175.55 173.57 1nam s VAL 27 N 1.96 4.23 0.11 3.14 1.01 -0.58 -0.62 120.40 129.65 1nam s VAL 27 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1nam s VAL 27 Cb -0.16 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1nam s VAL 27 CO -0.24 0.48 -0.00 0.42 0.00 0.00 0.00 175.10 175.76 1nam s THR 28 N 0.38 0.39 -0.77 3.92 -4.23 -0.85 -1.18 115.64 113.30 1nam s THR 28 Ca -0.01 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1nam s THR 28 Cb -0.13 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1nam s THR 28 CO 0.02 -0.69 0.47 0.00 -0.54 0.00 0.00 174.62 173.88 1nam n GLN 29 N -0.07 -3.36 -4.52 3.99 1.13 -0.96 -0.74 117.38 112.85 1nam n GLN 29 Ca -0.09 0.46 -0.27 0.00 -1.94 0.00 0.00 57.00 55.16 1nam n GLN 29 Cb 0.62 -4.36 -0.10 0.00 0.11 0.00 0.00 30.24 26.51 1nam n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1nam s PHE 30 N -3.01 2.49 -0.29 1.08 -0.71 -1.14 -3.69 117.98 112.70 1nam s PHE 30 Ca 0.23 -0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 55.39 1nam s PHE 30 Cb -0.10 -1.61 0.16 0.00 -1.21 0.00 0.00 43.02 40.26 1nam s PHE 30 CO 0.29 0.48 1.06 -1.58 -1.34 0.00 0.00 175.22 174.13 1nam s HIS 31 N -2.64 -0.42 1.01 3.49 2.46 -1.16 -0.70 115.29 117.33 1nam s HIS 31 Ca 0.35 0.84 -0.15 0.00 0.47 0.00 0.00 55.06 56.56 1nam s HIS 31 Cb 0.06 0.25 0.19 0.00 -0.13 0.00 0.00 32.58 32.95 1nam s HIS 31 CO 0.18 -0.21 1.16 -2.14 -2.47 0.00 0.00 174.74 171.27 1nam s PRO 32 N 1.23 0.35 0.00 2.88 0.02 -1.26 -3.01 135.00 135.20 1nam s PRO 32 Ca -0.08 0.07 0.12 0.00 0.02 0.00 0.00 61.00 61.12 1nam s PRO 32 Cb -0.03 -1.77 0.58 0.00 0.02 0.00 0.00 34.50 33.30 1nam s PRO 32 CO -0.13 -2.69 1.30 -0.35 -0.33 0.00 0.00 177.00 174.79 1nam n PRO 33 N -4.07 0.14 -2.46 5.54 -0.04 -1.26 -4.65 135.00 128.21 1nam n PRO 33 Ca 0.10 0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 63.34 1nam n PRO 33 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1nam n PRO 33 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1nam s HIS 34 N -2.63 2.31 -0.04 0.54 -3.43 -1.26 -4.99 115.29 105.79 1nam s HIS 34 Ca 0.10 0.32 0.04 0.00 -0.80 0.00 0.00 55.06 54.72 1nam s HIS 34 Cb 0.08 -4.48 -0.00 0.00 -1.43 0.00 0.00 32.58 26.75 1nam s HIS 34 CO 0.18 -1.94 -0.14 -1.50 -2.00 0.00 0.00 174.74 169.34 1nam s ILE 35 N 5.91 1.19 -0.68 -5.38 2.07 -1.26 -4.46 121.20 118.58 1nam s ILE 35 Ca 0.46 -0.58 -0.23 0.00 -1.41 0.00 0.00 60.65 58.88 1nam s ILE 35 Cb -0.09 -1.03 0.07 0.00 0.13 0.00 0.00 42.46 41.53 1nam s ILE 35 CO 0.22 0.35 1.02 -1.61 -1.91 0.00 0.00 174.94 173.01 1nam s GLU 36 N 0.10 3.14 -0.07 3.50 0.41 0.47 -4.97 118.70 121.28 1nam s GLU 36 Ca -0.03 -0.78 -0.03 0.00 -0.41 0.00 0.00 54.97 53.72 1nam s GLU 36 Cb -0.10 -4.26 0.04 0.00 -1.78 0.00 0.00 34.13 28.03 1nam s GLU 36 CO 0.01 -1.87 0.13 0.42 -0.49 0.00 0.00 175.26 173.46 1nam s ILE 37 N 4.29 -0.21 0.05 -1.63 1.01 -1.24 0.04 121.20 123.51 1nam s ILE 37 Ca 0.25 0.37 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 1nam s ILE 37 Cb -0.15 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1nam s ILE 37 CO 0.10 0.15 0.06 0.00 0.00 0.00 0.00 174.94 175.25 1nam s GLN 38 N 2.21 0.63 -0.08 2.79 -2.07 -0.93 -4.96 119.66 117.25 1nam s GLN 38 Ca 0.03 -0.97 -0.27 0.00 -1.82 0.00 0.00 55.36 52.33 1nam s GLN 38 Cb -0.12 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.01 1nam s GLN 38 CO -0.05 -0.15 0.86 -1.64 -1.32 0.00 0.00 175.29 172.99 1nam s MET 39 N -3.31 4.43 0.00 9.60 -1.94 -1.26 -2.73 119.30 124.09 1nam s MET 39 Ca 0.01 1.15 0.00 0.00 -1.71 0.00 0.00 55.69 55.14 1nam s MET 39 Cb 0.03 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1nam s MET 39 CO -0.08 -0.13 0.00 1.28 -0.01 0.00 0.00 175.02 176.08 1nam n LEU 40 N 4.40 0.00 0.00 -0.03 4.77 -1.26 -2.71 117.00 122.17 1nam n LEU 40 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1nam n LEU 40 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1nam n LEU 40 CO 0.50 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.73 1nam n LYS 41 N 0.00 0.00 0.00 3.23 4.81 -1.26 -4.27 118.16 120.67 1nam n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nam n LYS 41 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1nam n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nam n ASN 42 N 0.00 0.00 0.00 3.14 3.02 -1.23 -2.75 115.26 117.44 1nam n ASN 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1nam n ASN 42 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1nam n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nam n GLY 43 N 0.00 0.00 0.00 7.41 0.00 -1.26 -4.95 105.19 106.39 1nam n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nam n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nam n LYS 44 N 0.00 0.00 -3.44 1.61 4.81 -1.11 -5.08 118.16 114.95 1nam n LYS 44 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1nam n LYS 44 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1nam n LYS 44 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1nam n LYS 45 N 0.00 0.51 -3.65 1.64 5.02 -1.26 -4.47 118.16 115.95 1nam n LYS 45 Ca 0.00 -2.11 -0.14 0.00 -2.02 0.00 0.00 58.31 54.04 1nam n LYS 45 Cb 0.00 1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 36.34 1nam n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nam s ILE 46 N -2.65 -0.00 0.06 -0.18 1.01 -1.10 -4.15 121.20 114.18 1nam s ILE 46 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1nam s ILE 46 Cb 0.01 -0.92 -0.16 0.00 0.01 0.00 0.00 42.46 41.39 1nam s ILE 46 CO 0.13 0.00 1.59 1.55 0.00 0.00 0.00 174.94 178.21 1nam h PRO 47 N 5.13 0.01 -2.33 2.79 0.13 -1.96 -3.35 132.00 132.42 1nam h PRO 47 Ca -0.29 -0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.18 1nam h PRO 47 Cb 1.17 -0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.92 1nam h PRO 47 CO 0.09 0.16 -0.11 1.63 -0.23 0.00 0.00 178.00 179.54 1nam n LYS 48 N -5.01 3.69 -1.67 0.86 5.02 -1.26 -4.98 118.16 114.80 1nam n LYS 48 Ca -0.07 -4.75 -0.16 0.00 -2.02 0.00 0.00 58.31 51.31 1nam n LYS 48 Cb 0.10 -2.32 -0.07 0.00 -0.02 0.00 0.00 35.03 32.71 1nam n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nam s VAL 49 N -3.79 3.10 -0.90 -0.18 1.01 -1.26 -4.60 120.40 113.78 1nam s VAL 49 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1nam s VAL 49 Cb 0.20 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1nam s VAL 49 CO -0.08 -0.21 0.45 -0.62 0.00 0.00 0.00 175.10 174.65 1nam n GLU 50 N 8.73 0.82 0.00 2.72 1.02 0.25 -4.92 120.64 129.26 1nam n GLU 50 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1nam n GLU 50 Cb 0.44 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1nam n GLU 50 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nam n MET 51 N 0.14 0.00 -0.55 3.49 2.81 -1.19 -4.41 117.12 117.41 1nam n MET 51 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1nam n MET 51 Cb 0.23 0.00 0.23 0.00 -0.71 0.00 0.00 33.22 32.96 1nam n MET 51 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nam n SER 52 N 0.00 -1.76 -4.73 7.83 7.64 0.23 -4.88 113.62 117.96 1nam n SER 52 Ca 0.00 -0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 1nam n SER 52 Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.96 1nam n SER 52 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1nam s ASP 53 N -2.27 7.03 1.14 6.43 -0.00 -1.26 -4.60 116.67 123.13 1nam s ASP 53 Ca 0.65 2.25 -0.13 0.00 -0.00 0.00 0.00 52.55 55.33 1nam s ASP 53 Cb -0.22 -2.60 0.27 0.00 -0.00 0.00 0.00 42.92 40.37 1nam s ASP 53 CO 0.65 -0.43 1.04 -0.32 -0.00 0.00 0.00 175.17 176.11 1nam s MET 54 N -0.01 -0.73 0.01 8.23 1.75 -1.26 -4.73 119.30 122.57 1nam s MET 54 Ca 0.55 0.82 -0.28 0.00 -1.25 0.00 0.00 55.69 55.54 1nam s MET 54 Cb -0.33 -1.58 0.10 0.00 2.84 0.00 0.00 34.83 35.86 1nam s MET 54 CO 0.36 -3.59 0.83 -1.12 -0.65 0.00 0.00 175.02 170.84 1nam s SER 55 N -2.63 -0.42 0.10 1.11 0.01 -0.84 -5.01 113.70 106.02 1nam s SER 55 Ca 0.68 0.07 0.02 0.00 1.31 0.00 0.00 55.95 58.03 1nam s SER 55 Cb -0.24 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 1nam s SER 55 CO 0.64 -0.67 -0.07 0.72 0.41 0.00 0.00 173.24 174.26 1nam s PHE 56 N -2.99 0.92 0.35 2.43 -0.12 -1.26 0.05 117.98 117.36 1nam s PHE 56 Ca 0.03 -0.86 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 1nam s PHE 56 Cb -0.01 -0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 1nam s PHE 56 CO -0.08 -0.12 0.50 -1.12 -0.05 0.00 0.00 175.22 174.35 1nam s SER 57 N -2.93 5.91 0.47 1.98 0.01 0.25 -4.94 113.70 114.46 1nam s SER 57 Ca 0.11 -0.20 0.30 0.00 1.31 0.00 0.00 55.95 57.46 1nam s SER 57 Cb 0.04 -1.15 1.04 0.00 0.21 0.00 0.00 66.02 66.15 1nam s SER 57 CO -0.04 -0.50 1.14 1.17 0.41 0.00 0.00 173.24 175.43 1nam n LYS 58 N -1.70 0.01 -0.41 12.44 4.81 -1.26 0.11 118.16 132.15 1nam n LYS 58 Ca 0.01 0.85 0.08 0.00 -0.87 0.00 0.00 58.31 58.38 1nam n LYS 58 Cb 0.58 -2.04 0.26 0.00 0.02 0.00 0.00 35.03 33.85 1nam n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1nam n ASP 59 N -3.17 3.89 0.00 3.14 3.85 -1.26 -4.97 116.55 118.03 1nam n ASP 59 Ca 0.27 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.91 1nam n ASP 59 Cb 1.42 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 40.74 1nam n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1nam n TRP 60 N 0.49 0.00 -3.36 2.11 5.03 0.29 -5.00 117.44 117.00 1nam n TRP 60 Ca 0.20 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.40 1nam n TRP 60 Cb 0.73 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.95 1nam n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1nam s SER 61 N -3.12 6.71 0.05 -0.99 1.04 -1.26 -4.75 113.70 111.39 1nam s SER 61 Ca 0.00 1.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.40 1nam s SER 61 Cb 0.00 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1nam s SER 61 CO 0.00 -0.04 0.29 -0.36 0.98 0.00 0.00 173.24 174.11 1nam s PHE 62 N -1.73 3.55 0.03 5.02 0.40 0.12 -0.58 117.98 124.79 1nam s PHE 62 Ca 0.45 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 1nam s PHE 62 Cb -0.12 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1nam s PHE 62 CO 0.20 0.57 -0.06 1.52 0.70 0.00 0.00 175.22 178.15 1nam s TYR 63 N -1.41 0.49 -0.03 0.36 -0.85 0.11 -2.26 117.35 113.77 1nam s TYR 63 Ca 0.32 -0.50 -0.08 0.00 -0.52 0.00 0.00 57.07 56.28 1nam s TYR 63 Cb -0.13 -0.31 0.01 0.00 0.38 0.00 0.00 41.96 41.91 1nam s TYR 63 CO 0.20 -0.13 0.18 -1.50 -1.52 0.00 0.00 175.55 172.78 1nam s ILE 64 N -1.39 0.05 -0.46 -3.49 2.07 -0.33 -1.98 121.20 115.68 1nam s ILE 64 Ca -0.12 -0.42 -0.05 0.00 -1.41 0.00 0.00 60.65 58.65 1nam s ILE 64 Cb -0.10 -0.40 0.12 0.00 0.13 0.00 0.00 42.46 42.21 1nam s ILE 64 CO -0.00 -0.23 0.29 -0.22 -1.91 0.00 0.00 174.94 172.87 1nam s LEU 65 N -0.85 5.44 -0.65 8.50 2.96 -1.26 -1.53 118.68 131.29 1nam s LEU 65 Ca -0.09 -2.09 -0.27 0.00 -0.22 0.00 0.00 54.13 51.46 1nam s LEU 65 Cb -0.05 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1nam s LEU 65 CO 0.01 -0.58 1.61 0.00 -1.32 0.00 0.00 176.35 176.07 1nam s ALA 66 N 1.08 2.44 0.46 5.97 0.00 0.14 0.78 121.76 132.63 1nam s ALA 66 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1nam s ALA 66 Cb -0.24 -4.27 -0.01 0.00 0.00 0.00 0.00 23.12 18.60 1nam s ALA 66 CO -0.03 -3.59 0.09 -3.38 0.00 0.00 0.00 175.76 168.86 1nam s HIS 67 N 7.57 1.78 0.00 0.00 -0.00 -1.26 0.20 115.29 123.58 1nam s HIS 67 Ca 0.54 -1.21 0.00 0.00 -0.00 0.00 0.00 55.06 54.39 1nam s HIS 67 Cb -0.11 -1.31 0.00 0.00 -0.00 0.00 0.00 32.58 31.16 1nam s HIS 67 CO 0.19 -0.14 0.00 -2.37 -0.00 0.00 0.00 174.74 172.41 1nam n THR 68 N -1.08 0.00 -4.05 -5.38 5.66 -0.61 0.86 114.28 109.67 1nam n THR 68 Ca -0.12 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.72 1nam n THR 68 Cb 0.65 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.28 1nam n THR 68 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nam s GLU 69 N 2.37 0.37 0.21 1.09 1.03 -1.26 -3.33 118.70 119.18 1nam s GLU 69 Ca 0.00 -0.08 -0.00 0.00 0.03 0.00 0.00 54.97 54.92 1nam s GLU 69 Cb 0.00 -0.42 0.00 0.00 -0.80 0.00 0.00 34.13 32.91 1nam s GLU 69 CO 0.00 0.00 0.27 1.97 -1.33 0.00 0.00 175.26 176.17 1nam n PHE 70 N 3.43 -0.94 -3.61 4.83 -1.74 -1.21 -4.83 117.46 113.39 1nam n PHE 70 Ca -0.18 -1.44 -0.27 0.00 -0.56 0.00 0.00 57.45 54.99 1nam n PHE 70 Cb 0.55 0.30 -0.16 0.00 1.52 0.00 0.00 39.48 41.69 1nam n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1nam s THR 71 N -2.68 0.01 0.18 1.97 2.01 -1.26 -1.86 115.64 114.01 1nam s THR 71 Ca 0.18 -0.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 1nam s THR 71 Cb -0.00 -0.76 -0.13 0.00 0.01 0.00 0.00 72.50 71.62 1nam s THR 71 CO 0.13 -0.40 0.35 -2.65 -0.69 0.00 0.00 174.62 171.36 1nam n PRO 72 N 5.23 0.00 -2.47 4.92 -0.02 -1.24 -4.72 135.00 136.70 1nam n PRO 72 Ca -0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.36 1nam n PRO 72 Cb 0.47 -0.78 -0.01 0.00 -0.02 0.00 0.00 33.50 33.15 1nam n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nam n THR 73 N -0.12 0.00 0.00 3.45 -2.24 -1.26 -3.25 114.28 110.86 1nam n THR 73 Ca 0.13 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1nam n THR 73 Cb 0.21 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1nam n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nam n GLU 74 N -0.19 0.00 -0.29 -0.78 0.00 -1.26 -4.71 120.64 113.41 1nam n GLU 74 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.17 1nam n GLU 74 Cb 0.12 0.00 0.14 0.00 0.00 0.00 0.00 31.44 31.70 1nam n GLU 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1nam n THR 75 N 0.00 0.90 -2.83 6.31 -1.04 -1.26 -4.09 114.28 112.27 1nam n THR 75 Ca 0.00 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.05 61.15 1nam n THR 75 Cb 0.00 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1nam n THR 75 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nam n ASP 76 N 0.21 6.54 -4.46 8.00 5.75 -1.26 -5.07 116.55 126.26 1nam n ASP 76 Ca 0.09 -3.60 -0.31 0.00 -0.01 0.00 0.00 54.79 50.97 1nam n ASP 76 Cb 0.55 -1.09 0.19 0.00 -1.03 0.00 0.00 41.12 39.74 1nam n ASP 76 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nam n THR 77 N 0.36 0.00 -4.73 2.12 -2.24 -1.26 -4.44 114.28 104.09 1nam n THR 77 Ca 0.38 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.59 1nam n THR 77 Cb 0.31 -0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 1nam n THR 77 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nam s TYR 78 N -2.42 1.99 0.36 4.78 2.02 -1.26 -3.49 117.35 119.33 1nam s TYR 78 Ca 0.63 -0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 56.32 1nam s TYR 78 Cb -0.21 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1nam s TYR 78 CO 0.64 0.26 0.64 0.00 -1.57 0.00 0.00 175.55 175.52 1nam s ALA 79 N -2.86 -0.07 -0.25 3.71 0.00 -1.26 0.22 121.76 121.25 1nam s ALA 79 Ca 0.12 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1nam s ALA 79 Cb 0.03 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1nam s ALA 79 CO 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 175.76 174.95 1nam s ARG 81 N 1.51 3.24 -0.11 0.00 6.06 -1.11 -4.43 118.95 124.12 1nam s ARG 81 Ca 0.05 -0.26 0.01 0.00 -2.50 0.00 0.00 55.73 53.03 1nam s ARG 81 Cb -0.15 -4.15 0.02 0.00 0.06 0.00 0.00 34.95 30.72 1nam s ARG 81 CO 0.00 -1.98 -0.13 0.08 -2.50 0.00 0.00 175.30 170.77 1nam s VAL 82 N 5.22 1.36 0.03 7.11 1.01 -1.21 -2.19 120.40 131.72 1nam s VAL 82 Ca 0.34 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1nam s VAL 82 Cb -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1nam s VAL 82 CO 0.16 0.41 -0.06 -0.75 0.00 0.00 0.00 175.10 174.87 1nam s LYS 83 N 1.14 0.44 -0.28 2.72 2.20 0.11 -2.48 119.74 123.59 1nam s LYS 83 Ca -0.04 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.75 1nam s LYS 83 Cb -0.14 -0.24 0.10 0.00 -1.51 0.00 0.00 37.83 36.04 1nam s LYS 83 CO -0.03 0.05 0.90 -1.58 -0.36 0.00 0.00 175.35 174.33 1nam s HIS 84 N -1.04 -0.61 -1.02 4.03 2.46 -1.26 -0.40 115.29 117.45 1nam s HIS 84 Ca -0.08 1.48 0.00 0.00 0.47 0.00 0.00 55.06 56.93 1nam s HIS 84 Cb -0.08 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 1nam s HIS 84 CO 0.00 -0.29 0.72 -3.47 -2.47 0.00 0.00 174.74 169.23 1nam n ASP 85 N 2.47 0.00 0.09 9.88 4.64 -1.26 -2.61 116.55 129.77 1nam n ASP 85 Ca -0.13 0.26 -0.05 0.00 -1.38 0.00 0.00 54.79 53.49 1nam n ASP 85 Cb 0.56 -0.26 0.11 0.00 -1.04 0.00 0.00 41.12 40.48 1nam n ASP 85 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1nam h SER 86 N 0.00 0.22 -3.99 1.67 4.64 -1.88 -3.45 113.55 110.77 1nam h SER 86 Ca 0.00 -0.14 -0.69 0.00 -0.47 0.00 0.00 61.79 60.50 1nam h SER 86 Cb 0.15 -0.07 -0.23 0.00 -0.31 0.00 0.00 62.40 61.95 1nam h SER 86 CO 0.00 0.81 -0.85 -0.04 -0.87 0.00 0.00 176.83 175.88 1nam s MET 87 N -3.65 1.68 0.50 4.77 -1.94 -1.07 -4.96 119.30 114.63 1nam s MET 87 Ca -0.03 -1.20 0.28 0.00 -1.71 0.00 0.00 55.69 53.02 1nam s MET 87 Cb 0.12 -2.01 1.31 0.00 2.01 0.00 0.00 34.83 36.26 1nam s MET 87 CO 0.80 0.49 1.99 0.00 -0.01 0.00 0.00 175.02 178.29 1nam h ALA 88 N 4.19 1.15 -4.03 3.03 0.00 -1.88 -3.43 119.26 118.30 1nam h ALA 88 Ca -0.49 -0.13 -0.66 0.00 0.00 0.00 0.00 54.91 53.63 1nam h ALA 88 Cb 1.16 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.69 1nam h ALA 88 CO 0.43 0.18 -0.86 -1.83 0.00 0.00 0.00 179.25 177.16 1nam s GLU 89 N -3.96 1.49 1.02 0.00 -1.05 -1.26 -5.15 118.70 109.79 1nam s GLU 89 Ca -0.01 -1.18 -0.14 0.00 -0.15 0.00 0.00 54.97 53.49 1nam s GLU 89 Cb 0.12 -1.79 0.20 0.00 -0.44 0.00 0.00 34.13 32.22 1nam s GLU 89 CO 0.59 0.44 1.12 -2.14 0.95 0.00 0.00 175.26 176.22 1nam s PRO 90 N -1.63 0.22 0.23 -4.83 0.02 -1.26 -4.92 135.00 122.82 1nam s PRO 90 Ca 0.11 0.28 -0.17 0.00 0.02 0.00 0.00 61.00 61.24 1nam s PRO 90 Cb -0.10 -1.73 0.02 0.00 0.02 0.00 0.00 34.50 32.71 1nam s PRO 90 CO 0.04 -2.82 0.57 0.15 -0.33 0.00 0.00 177.00 174.60 1nam s LYS 91 N -5.18 1.54 -0.27 5.54 1.02 -1.03 -5.07 119.74 116.30 1nam s LYS 91 Ca 0.67 -1.00 -0.27 0.00 0.02 0.00 0.00 55.97 55.39 1nam s LYS 91 Cb -0.15 0.53 0.16 0.00 -0.52 0.00 0.00 37.83 37.85 1nam s LYS 91 CO 0.56 -0.67 1.23 0.99 -0.92 0.00 0.00 175.35 176.54 1nam s THR 92 N -3.93 0.00 0.28 2.17 2.01 -1.26 -3.35 115.64 111.56 1nam s THR 92 Ca 0.13 0.00 0.12 0.00 0.31 0.00 0.00 61.69 62.25 1nam s THR 92 Cb -0.02 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1nam s THR 92 CO 0.03 0.00 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.09 1nam s VAL 93 N -0.27 2.56 -0.07 3.82 1.01 -1.26 -5.02 120.40 121.17 1nam s VAL 93 Ca 0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 61.98 59.63 1nam s VAL 93 Cb -0.04 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1nam s VAL 93 CO -0.09 -0.39 0.10 -0.31 0.00 0.00 0.00 175.10 174.42 1nam s TYR 94 N -2.50 3.43 0.67 5.22 2.02 -1.26 -3.30 117.35 121.64 1nam s TYR 94 Ca 0.30 0.36 -0.05 0.00 -0.37 0.00 0.00 57.07 57.32 1nam s TYR 94 Cb -0.05 -1.85 0.08 0.00 -0.40 0.00 0.00 41.96 39.74 1nam s TYR 94 CO 0.16 0.63 0.17 1.87 -1.57 0.00 0.00 175.55 176.81 1nam n TRP 95 N 1.72 -1.75 -3.60 2.71 -0.00 0.59 -4.95 117.44 112.16 1nam n TRP 95 Ca -0.17 0.35 -0.16 0.00 -0.00 0.00 0.00 57.50 57.52 1nam n TRP 95 Cb 0.54 -1.29 -0.07 0.00 -0.00 0.00 0.00 31.31 30.49 1nam n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1nam s ASP 96 N -1.43 -0.62 0.09 5.87 -1.08 -1.26 -4.85 116.67 113.39 1nam s ASP 96 Ca 0.13 0.91 -0.14 0.00 -0.52 0.00 0.00 52.55 52.94 1nam s ASP 96 Cb -0.02 0.86 -0.17 0.00 -1.46 0.00 0.00 42.92 42.12 1nam s ASP 96 CO 0.11 -0.43 1.27 0.03 0.52 0.00 0.00 175.17 176.68 1nam h ARG 97 N 4.01 0.75 0.10 4.34 3.08 -1.96 -3.38 114.38 121.33 1nam h ARG 97 Ca -0.28 -0.65 -0.35 0.00 0.07 0.00 0.00 59.98 58.78 1nam h ARG 97 Cb 1.15 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1nam h ARG 97 CO 0.26 1.25 -1.89 -0.40 -1.07 0.00 0.00 179.97 178.13 1nam n ASP 98 N -3.96 2.08 -0.22 7.04 5.75 -1.26 -2.14 116.55 123.85 1nam n ASP 98 Ca -0.08 0.24 0.15 0.00 -0.01 0.00 0.00 54.79 55.09 1nam n ASP 98 Cb 0.76 -0.88 0.76 0.00 -1.03 0.00 0.00 41.12 40.73 1nam n ASP 98 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32