#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk s SER 2 N 0.00 6.23 0.29 1.61 0.01 -1.26 -5.00 113.70 115.58 2dbk s SER 2 Ca 0.00 0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.52 2dbk s SER 2 Cb 0.00 -1.92 0.61 0.00 0.21 0.00 0.00 66.02 64.92 2dbk s SER 2 CO 0.00 0.25 1.57 0.28 0.41 0.00 0.00 173.24 175.75 2dbk h SER 3 N 3.75 -0.66 -3.84 2.44 0.02 -2.13 -3.42 113.55 109.71 2dbk h SER 3 Ca -0.48 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.81 2dbk h SER 3 Cb 1.18 0.53 -0.24 0.00 0.14 0.00 0.00 62.40 64.02 2dbk h SER 3 CO 0.69 -0.33 0.47 -0.83 -1.14 0.00 0.00 176.83 175.68 2dbk s GLY 4 N -4.24 -0.26 0.09 -3.77 0.00 -1.26 -5.15 107.32 92.73 2dbk s GLY 4 Ca -0.14 2.22 -0.30 0.00 0.00 0.00 0.00 44.72 46.50 2dbk s GLY 4 CO 0.78 1.36 1.05 -0.45 0.00 0.00 0.00 173.10 175.83 2dbk s SER 5 N -0.56 7.32 0.05 1.64 0.15 -1.26 -5.01 113.70 116.03 2dbk s SER 5 Ca -0.01 1.87 -0.30 0.00 0.70 0.00 0.00 55.95 58.22 2dbk s SER 5 Cb -0.02 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2dbk s SER 5 CO -0.01 -0.24 1.00 -0.44 1.20 0.00 0.00 173.24 174.76 2dbk s SER 6 N 0.47 7.37 1.03 5.45 0.01 -1.26 -5.02 113.70 121.74 2dbk s SER 6 Ca 0.51 1.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 2dbk s SER 6 Cb -0.25 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.60 2dbk s SER 6 CO 0.30 -0.22 1.06 0.61 0.41 0.00 0.00 173.24 175.40 2dbk n GLY 7 N 2.70 -1.10 3.71 3.44 0.00 -1.26 -4.99 105.19 107.69 2dbk n GLY 7 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2dbk n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 8 N -4.50 1.10 0.16 1.61 0.04 -1.26 -4.91 135.00 127.24 2dbk s PRO 8 Ca 0.67 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 2dbk s PRO 8 Cb -0.24 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 2dbk s PRO 8 CO 0.61 -2.33 0.58 1.28 0.04 0.00 0.00 177.00 177.18 2dbk n LEU 9 N -3.94 -1.00 -4.77 -3.56 7.99 -1.26 -4.89 117.00 105.58 2dbk n LEU 9 Ca 0.07 1.08 -0.32 0.00 -0.01 0.00 0.00 56.01 56.83 2dbk n LEU 9 Cb 0.56 -0.90 0.07 0.00 -0.11 0.00 0.00 43.42 43.04 2dbk n LEU 9 CO 0.56 -2.67 0.72 -2.16 -1.51 0.00 0.00 177.39 172.32 2dbk s PRO 10 N -0.80 2.46 -0.27 3.23 0.04 -1.26 -5.07 135.00 133.33 2dbk s PRO 10 Ca 0.65 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2dbk s PRO 10 Cb -0.94 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 31.84 2dbk s PRO 10 CO 0.53 -1.50 1.20 -1.54 0.04 0.00 0.00 177.00 175.74 2dbk s SER 11 N -3.07 -0.27 -0.11 6.66 1.04 -1.26 -5.16 113.70 111.52 2dbk s SER 11 Ca 0.63 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 2dbk s SER 11 Cb -0.18 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 2dbk s SER 11 CO 0.50 -0.12 -0.05 0.42 0.98 0.00 0.00 173.24 174.98 2dbk s THR 12 N -0.09 3.86 0.31 2.02 -4.23 -1.26 -5.11 115.64 111.13 2dbk s THR 12 Ca 0.05 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 2dbk s THR 12 Cb -0.04 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 2dbk s THR 12 CO -0.09 0.55 0.22 -1.10 -0.54 0.00 0.00 174.62 173.66 2dbk s GLN 13 N -0.26 1.64 -0.16 3.99 -0.21 -1.26 -5.10 119.66 118.30 2dbk s GLN 13 Ca 0.04 -1.94 -0.41 0.00 0.02 0.00 0.00 55.36 53.08 2dbk s GLN 13 Cb -0.13 0.18 -0.18 0.00 1.00 0.00 0.00 33.01 33.88 2dbk s GLN 13 CO 0.02 -0.56 1.43 0.27 -2.12 0.00 0.00 175.29 174.34 2dbk n ASN 14 N -1.19 1.30 -0.06 5.90 0.23 -1.26 -4.90 115.26 115.27 2dbk n ASN 14 Ca 0.04 1.13 0.00 0.00 -0.53 0.00 0.00 54.58 55.23 2dbk n ASN 14 Cb 0.64 -1.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.30 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 15 N 3.00 4.02 3.77 4.83 0.00 -1.26 -5.16 105.19 114.39 2dbk n GLY 15 Ca 0.24 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 2dbk n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 16 N 0.81 2.83 -0.03 1.61 0.04 -1.26 -5.02 135.00 133.98 2dbk s PRO 16 Ca 0.00 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 2dbk s PRO 16 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2dbk s PRO 16 CO 0.00 -1.23 0.58 0.08 0.04 0.00 0.00 177.00 176.47 2dbk s VAL 17 N -2.30 4.98 0.13 -0.36 1.01 -1.19 -4.98 120.40 117.69 2dbk s VAL 17 Ca 0.67 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2dbk s VAL 17 Cb -0.21 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2dbk s VAL 17 CO 0.41 0.38 0.06 -0.36 0.00 0.00 0.00 175.10 175.59 2dbk s PHE 18 N 0.06 3.04 -0.07 5.22 0.08 -1.26 -2.20 117.98 122.85 2dbk s PHE 18 Ca 0.31 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 2dbk s PHE 18 Cb -0.18 -1.50 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2dbk s PHE 18 CO 0.16 0.51 0.14 0.00 -0.10 0.00 0.00 175.22 175.93 2dbk s ALA 19 N -1.57 -0.18 -0.30 5.36 0.00 -1.10 -4.21 121.76 119.76 2dbk s ALA 19 Ca 0.28 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 2dbk s ALA 19 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2dbk s ALA 19 CO 0.21 -0.34 0.82 0.21 0.00 0.00 0.00 175.76 176.66 2dbk s LYS 20 N 1.68 3.98 -0.09 0.00 2.47 -1.11 -0.02 119.74 126.66 2dbk s LYS 20 Ca -0.03 0.65 -0.29 0.00 -1.56 0.00 0.00 55.97 54.73 2dbk s LYS 20 Cb -0.12 -3.72 -0.07 0.00 -1.46 0.00 0.00 37.83 32.46 2dbk s LYS 20 CO -0.06 -0.69 2.03 0.00 0.16 0.00 0.00 175.35 176.80 2dbk s ALA 21 N 3.02 3.22 -0.05 3.13 0.00 0.76 -2.82 121.76 129.02 2dbk s ALA 21 Ca 0.34 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 53.31 2dbk s ALA 21 Cb -0.14 -3.94 -0.27 0.00 0.00 0.00 0.00 23.12 18.78 2dbk s ALA 21 CO 0.12 -2.08 0.64 -0.84 0.00 0.00 0.00 175.76 173.60 2dbk h ILE 22 N 6.27 0.90 -3.85 0.00 3.07 -1.89 -0.23 117.51 121.78 2dbk h ILE 22 Ca -0.45 -2.60 -0.68 0.00 1.55 0.00 0.00 64.86 62.68 2dbk h ILE 22 Cb 1.23 2.62 -0.21 0.00 -0.27 0.00 0.00 36.82 40.20 2dbk h ILE 22 CO 0.95 0.79 -0.83 -1.58 -1.05 0.00 0.00 178.15 176.43 2dbk s GLN 23 N -2.59 1.65 -0.04 0.16 2.00 -1.18 -4.82 119.66 114.85 2dbk s GLN 23 Ca -0.13 -1.23 -0.30 0.00 -2.00 0.00 0.00 55.36 51.70 2dbk s GLN 23 Cb 0.07 -2.02 -0.05 0.00 0.80 0.00 0.00 33.01 31.80 2dbk s GLN 23 CO 0.82 0.47 1.50 0.21 -0.50 0.00 0.00 175.29 177.79 2dbk s LYS 24 N -2.01 4.23 -0.34 1.67 2.20 -1.26 -4.34 119.74 119.89 2dbk s LYS 24 Ca 0.16 2.04 -0.13 0.00 -0.36 0.00 0.00 55.97 57.68 2dbk s LYS 24 Cb -0.10 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2dbk s LYS 24 CO 0.08 -0.71 0.24 0.50 -0.36 0.00 0.00 175.35 175.10 2dbk s ARG 25 N 3.17 3.48 -0.48 4.03 3.00 -1.03 -4.95 118.95 126.16 2dbk s ARG 25 Ca 0.67 -0.65 0.03 0.00 -1.00 0.00 0.00 55.73 54.78 2dbk s ARG 25 Cb -0.32 -3.80 0.12 0.00 0.00 0.00 0.00 34.95 30.96 2dbk s ARG 25 CO 0.26 -0.45 0.22 0.08 0.00 0.00 0.00 175.30 175.42 2dbk s VAL 26 N 1.72 2.65 0.83 7.11 1.01 -1.26 -2.82 120.40 129.64 2dbk s VAL 26 Ca 0.06 -2.99 -0.11 0.00 0.00 0.00 0.00 61.98 58.95 2dbk s VAL 26 Cb -0.17 -2.85 0.09 0.00 0.00 0.00 0.00 36.38 33.44 2dbk s VAL 26 CO 0.10 -0.75 1.09 -2.16 0.00 0.00 0.00 175.10 173.38 2dbk s PRO 27 N 0.10 1.79 -0.09 2.72 0.04 -1.26 -4.98 135.00 133.32 2dbk s PRO 27 Ca 0.15 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 2dbk s PRO 27 Cb -0.23 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2dbk s PRO 27 CO -0.03 -1.92 1.10 0.00 0.04 0.00 0.00 177.00 176.19 2dbk n ALA 29 N 5.16 0.36 -0.18 0.00 0.00 -1.26 0.12 120.51 124.71 2dbk n ALA 29 Ca 0.10 1.00 -0.05 0.00 0.00 0.00 0.00 53.44 54.48 2dbk n ALA 29 Cb 0.47 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.30 2dbk n ALA 29 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2dbk h TYR 30 N 0.00 0.59 -2.86 0.00 -1.99 -2.03 -3.41 116.97 107.26 2dbk h TYR 30 Ca 0.51 0.02 -0.52 0.00 2.00 0.00 0.00 58.73 60.73 2dbk h TYR 30 Cb 0.94 -0.19 0.05 0.00 2.00 0.00 0.00 36.73 39.53 2dbk h TYR 30 CO -0.57 0.33 0.90 0.34 -0.00 0.00 0.00 178.16 179.16 2dbk s ASP 31 N -5.59 6.53 -0.17 3.88 -1.08 0.32 -4.91 116.67 115.65 2dbk s ASP 31 Ca -0.13 2.70 0.02 0.00 -0.52 0.00 0.00 52.55 54.62 2dbk s ASP 31 Cb 0.13 -2.60 -0.12 0.00 -1.46 0.00 0.00 42.92 38.87 2dbk s ASP 31 CO 0.74 -0.85 -0.14 0.29 0.52 0.00 0.00 175.17 175.73 2dbk n LYS 32 N 3.74 0.54 0.23 4.34 4.01 -1.26 -4.50 118.16 125.26 2dbk n LYS 32 Ca 0.13 0.09 0.08 0.00 -0.51 0.00 0.00 58.31 58.11 2dbk n LYS 32 Cb 0.38 -1.35 0.57 0.00 -0.51 0.00 0.00 35.03 34.12 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2dbk h THR 33 N 0.00 0.87 -2.79 -0.18 1.35 -1.91 -3.42 112.91 106.83 2dbk h THR 33 Ca -0.39 -0.75 -0.57 0.00 -0.55 0.00 0.00 66.41 64.15 2dbk h THR 33 Cb 1.62 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 69.45 2dbk h THR 33 CO -0.05 0.19 1.18 0.00 -0.25 0.00 0.00 175.52 176.59 2dbk s ALA 34 N -4.29 3.08 0.17 6.62 0.00 -1.26 0.08 121.76 126.16 2dbk s ALA 34 Ca -0.03 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 2dbk s ALA 34 Cb 0.14 -3.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 2dbk s ALA 34 CO 0.65 -2.28 1.04 -1.17 0.00 0.00 0.00 175.76 174.00 2dbk s LEU 35 N 5.92 4.51 -0.06 0.00 0.20 -1.21 -4.85 118.68 123.19 2dbk s LEU 35 Ca 0.74 2.00 -0.11 0.00 0.69 0.00 0.00 54.13 57.44 2dbk s LEU 35 Cb -0.23 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.89 2dbk s LEU 35 CO 0.32 -0.13 0.27 0.00 -0.29 0.00 0.00 176.35 176.52 2dbk s ALA 36 N -0.31 3.79 0.10 5.97 0.00 -1.26 -4.72 121.76 125.33 2dbk s ALA 36 Ca 0.48 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 2dbk s ALA 36 Cb -0.27 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2dbk s ALA 36 CO 0.33 0.55 0.05 -0.51 0.00 0.00 0.00 175.76 176.18 2dbk s LEU 37 N -1.03 1.93 -0.07 0.00 1.43 -1.13 -4.92 118.68 114.89 2dbk s LEU 37 Ca 0.19 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2dbk s LEU 37 Cb -0.14 0.38 0.01 0.00 0.03 0.00 0.00 46.19 46.46 2dbk s LEU 37 CO 0.09 -0.70 -0.15 -0.70 0.23 0.00 0.00 176.35 175.12 2dbk s GLU 38 N -3.99 1.92 -0.37 1.70 2.12 -1.26 -2.47 118.70 116.35 2dbk s GLU 38 Ca 0.17 -0.51 -0.33 0.00 0.36 0.00 0.00 54.97 54.66 2dbk s GLU 38 Cb 0.07 -1.56 -0.14 0.00 0.26 0.00 0.00 34.13 32.76 2dbk s GLU 38 CO -0.03 0.08 1.43 0.28 -0.54 0.00 0.00 175.26 176.48 2dbk n VAL 39 N 3.68 0.00 0.00 3.70 0.31 -1.26 -2.07 118.33 122.68 2dbk n VAL 39 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2dbk n VAL 39 Cb 0.52 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2dbk n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dbk n GLY 40 N 4.62 1.32 3.24 2.92 0.00 -0.10 -5.02 105.19 112.17 2dbk n GLY 40 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 2dbk n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dbk s ASP 41 N -2.00 2.60 -0.62 1.61 -1.08 -0.88 -4.88 116.67 111.42 2dbk s ASP 41 Ca 0.00 -0.40 -0.21 0.00 -0.52 0.00 0.00 52.55 51.42 2dbk s ASP 41 Cb 0.00 -0.32 0.08 0.00 -1.46 0.00 0.00 42.92 41.23 2dbk s ASP 41 CO 0.00 0.27 0.83 -0.63 0.52 0.00 0.00 175.17 176.16 2dbk s ILE 42 N -0.49 4.58 -0.70 4.11 1.09 -1.26 -0.17 121.20 128.37 2dbk s ILE 42 Ca 0.08 -0.63 -0.27 0.00 -1.10 0.00 0.00 60.65 58.72 2dbk s ILE 42 Cb -0.09 -4.57 0.02 0.00 -1.06 0.00 0.00 42.46 36.76 2dbk s ILE 42 CO -0.01 -1.26 1.33 -0.69 -0.10 0.00 0.00 174.94 174.21 2dbk s VAL 43 N 3.36 3.73 -0.52 2.92 1.01 0.98 -4.79 120.40 127.09 2dbk s VAL 43 Ca 0.17 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 2dbk s VAL 43 Cb -0.20 -4.77 0.03 0.00 0.00 0.00 0.00 36.38 31.44 2dbk s VAL 43 CO 0.09 -1.66 1.08 -0.75 0.00 0.00 0.00 175.10 173.86 2dbk s LYS 44 N 5.75 3.55 -0.17 2.72 2.20 -1.26 -2.73 119.74 129.79 2dbk s LYS 44 Ca 0.40 0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 56.21 2dbk s LYS 44 Cb -0.09 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.24 2dbk s LYS 44 CO 0.18 -1.48 -0.02 0.54 -0.36 0.00 0.00 175.35 174.21 2dbk s VAL 45 N 4.42 3.89 -0.01 4.02 0.11 -0.94 -1.90 120.40 129.98 2dbk s VAL 45 Ca 0.41 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 59.19 2dbk s VAL 45 Cb -0.09 -2.73 -0.24 0.00 -1.53 0.00 0.00 36.38 31.80 2dbk s VAL 45 CO 0.27 0.47 0.77 0.71 -3.33 0.00 0.00 175.10 173.99 2dbk h THR 46 N 5.26 1.02 -3.34 5.04 1.35 -1.82 -3.16 112.91 117.27 2dbk h THR 46 Ca -0.33 -2.81 -0.60 0.00 -0.55 0.00 0.00 66.41 62.11 2dbk h THR 46 Cb 1.18 2.55 -0.34 0.00 -1.73 0.00 0.00 68.15 69.82 2dbk h THR 46 CO 0.62 0.65 -0.85 -0.60 -0.25 0.00 0.00 175.52 175.10 2dbk s ARG 47 N -2.62 2.40 -0.46 4.72 3.52 -1.25 -4.92 118.95 120.34 2dbk s ARG 47 Ca -0.06 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.84 2dbk s ARG 47 Cb 0.08 -1.91 0.12 0.00 -1.56 0.00 0.00 34.95 31.68 2dbk s ARG 47 CO 0.82 0.06 0.28 -1.64 -0.81 0.00 0.00 175.30 174.02 2dbk s MET 48 N 0.63 2.24 1.24 5.12 -1.94 -1.26 -2.19 119.30 123.13 2dbk s MET 48 Ca -0.14 -1.88 -0.15 0.00 -1.71 0.00 0.00 55.69 51.81 2dbk s MET 48 Cb -0.16 -3.73 0.31 0.00 2.01 0.00 0.00 34.83 33.26 2dbk s MET 48 CO 0.04 -1.13 1.00 -0.80 -0.01 0.00 0.00 175.02 174.13 2dbk s ASN 49 N 2.02 0.42 -0.18 3.03 0.01 -1.25 -4.98 114.94 114.01 2dbk s ASN 49 Ca 0.08 1.32 0.17 0.00 -0.71 0.00 0.00 52.86 53.72 2dbk s ASN 49 Cb -0.24 -2.02 -0.24 0.00 0.41 0.00 0.00 41.25 39.17 2dbk s ASN 49 CO -0.03 -4.52 0.08 2.30 -1.51 0.00 0.00 177.10 173.42 2dbk n ILE 50 N -5.11 1.28 -0.11 0.60 -5.35 -1.26 -4.54 119.36 104.87 2dbk n ILE 50 Ca 0.05 -0.80 -0.09 0.00 -0.27 0.00 0.00 62.75 61.63 2dbk n ILE 50 Cb 0.56 -0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 2dbk n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2dbk h ASN 51 N 0.00 -1.27 0.00 7.28 -1.07 -2.06 -3.46 115.58 115.01 2dbk h ASN 51 Ca -0.51 0.20 0.00 0.00 0.07 0.00 0.00 56.30 56.07 2dbk h ASN 51 Cb 2.15 0.57 0.00 0.00 -2.07 0.00 0.00 38.32 38.96 2dbk h ASN 51 CO 0.03 -0.35 0.00 0.61 0.07 0.00 0.00 177.43 177.78 2dbk n GLY 52 N -1.42 0.62 3.91 9.14 0.00 -1.26 -5.15 105.19 111.04 2dbk n GLY 52 Ca -0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2dbk n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dbk s GLN 53 N 0.00 3.57 0.42 1.61 0.00 -1.26 -4.15 119.66 119.85 2dbk s GLN 53 Ca 0.00 0.04 0.04 0.00 -0.00 0.00 0.00 55.36 55.44 2dbk s GLN 53 Cb 0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 33.01 30.45 2dbk s GLN 53 CO 0.00 -0.01 0.04 -1.58 0.00 0.00 0.00 175.29 173.74 2dbk s TRP 54 N -2.45 2.10 -0.31 9.60 0.51 -1.16 -3.77 118.94 123.46 2dbk s TRP 54 Ca 0.45 -0.90 -0.06 0.00 -2.12 0.00 0.00 56.10 53.47 2dbk s TRP 54 Cb -0.10 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.06 2dbk s TRP 54 CO 0.38 0.18 0.07 -2.00 -0.51 0.00 0.00 176.95 175.07 2dbk s GLU 55 N -3.80 2.80 0.12 4.98 2.12 -0.93 -3.12 118.70 120.87 2dbk s GLU 55 Ca 0.25 -1.04 0.02 0.00 0.36 0.00 0.00 54.97 54.56 2dbk s GLU 55 Cb 0.06 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2dbk s GLU 55 CO 0.13 -0.55 -0.05 0.20 -0.54 0.00 0.00 175.26 174.44 2dbk s GLY 56 N 1.42 0.88 -0.14 -1.50 0.00 -1.24 -2.70 107.32 104.04 2dbk s GLY 56 Ca -0.00 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.32 2dbk s GLY 56 CO 0.02 -1.48 -0.17 1.85 0.00 0.00 0.00 173.10 173.32 2dbk s GLU 57 N -3.84 3.19 -0.07 2.90 -6.30 -0.80 -2.86 118.70 110.93 2dbk s GLU 57 Ca 0.15 -0.77 -0.07 0.00 -2.50 0.00 0.00 54.97 51.78 2dbk s GLU 57 Cb 0.05 -2.56 0.02 0.00 0.00 0.00 0.00 34.13 31.64 2dbk s GLU 57 CO -0.03 0.06 0.19 0.08 0.02 0.00 0.00 175.26 175.59 2dbk s VAL 58 N 0.69 0.01 -1.49 3.70 1.01 -0.20 -4.13 120.40 119.99 2dbk s VAL 58 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2dbk s VAL 58 Cb -0.16 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2dbk s VAL 58 CO 0.02 -0.04 0.32 -0.46 0.00 0.00 0.00 175.10 174.94 2dbk n ASN 59 N 2.81 -0.18 -3.78 3.32 0.23 -1.26 -0.43 115.26 115.97 2dbk n ASN 59 Ca -0.14 -1.10 -0.26 0.00 -0.53 0.00 0.00 54.58 52.56 2dbk n ASN 59 Cb 0.58 -2.55 0.04 0.00 -2.08 0.00 0.00 39.78 35.77 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 60 N -2.10 -0.42 3.29 4.83 0.00 -1.26 -4.98 105.19 104.55 2dbk n GLY 60 Ca -0.28 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2dbk n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dbk s ARG 61 N -6.29 0.35 -0.27 1.61 0.52 0.43 -5.14 118.95 110.17 2dbk s ARG 61 Ca 0.37 1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 56.53 2dbk s ARG 61 Cb -0.18 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 2dbk s ARG 61 CO 0.81 -0.23 0.06 0.15 0.02 0.00 0.00 175.30 176.11 2dbk s LYS 62 N 2.41 3.35 0.25 3.54 1.02 -1.26 -1.03 119.74 128.01 2dbk s LYS 62 Ca -0.03 -0.68 -0.15 0.00 0.02 0.00 0.00 55.97 55.13 2dbk s LYS 62 Cb -0.11 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2dbk s LYS 62 CO -0.13 -0.31 0.54 0.20 -0.92 0.00 0.00 175.35 174.72 2dbk s GLY 63 N 1.54 0.36 -0.19 -3.33 0.00 -1.13 -4.90 107.32 99.66 2dbk s GLY 63 Ca 0.05 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 2dbk s GLY 63 CO 0.02 -0.48 0.83 1.08 0.00 0.00 0.00 173.10 174.55 2dbk s LEU 64 N -2.99 4.15 0.03 0.66 1.43 0.11 -3.59 118.68 118.48 2dbk s LEU 64 Ca 0.19 1.13 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 2dbk s LEU 64 Cb -0.02 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2dbk s LEU 64 CO 0.08 -0.43 -0.21 0.72 0.23 0.00 0.00 176.35 176.74 2dbk s PHE 65 N 2.34 1.88 0.31 0.29 -0.71 -1.18 -3.32 117.98 117.59 2dbk s PHE 65 Ca 0.37 -0.37 -0.29 0.00 -1.04 0.00 0.00 56.93 55.60 2dbk s PHE 65 Cb -0.16 -1.15 -0.10 0.00 -1.21 0.00 0.00 43.02 40.40 2dbk s PHE 65 CO 0.11 0.06 1.22 -1.25 -1.34 0.00 0.00 175.22 174.02 2dbk s PRO 66 N -1.00 4.46 0.26 1.99 0.04 -1.26 -2.99 135.00 136.50 2dbk s PRO 66 Ca 0.08 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.29 2dbk s PRO 66 Cb -0.09 -3.11 0.27 0.00 0.04 0.00 0.00 34.50 31.62 2dbk s PRO 66 CO 0.01 -0.04 1.55 0.27 0.04 0.00 0.00 177.00 178.83 2dbk h PHE 67 N 3.53 0.00 0.00 0.56 -0.00 -1.90 -2.97 116.94 116.16 2dbk h PHE 67 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2dbk h PHE 67 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2dbk h PHE 67 CO 0.57 0.64 0.00 0.25 -0.00 0.00 0.00 178.31 179.77 2dbk n THR 68 N -3.58 0.81 0.81 0.88 -2.24 -1.26 -0.99 114.28 108.71 2dbk n THR 68 Ca -0.00 0.20 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 2dbk n THR 68 Cb 0.68 -1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 2dbk n THR 68 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2dbk n HIS 69 N -1.28 0.00 -4.29 4.78 -0.00 -1.12 -4.98 115.22 108.33 2dbk n HIS 69 Ca 0.04 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.06 2dbk n HIS 69 Cb 0.07 -0.08 -0.10 0.00 -0.12 0.00 0.00 29.99 29.76 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2dbk s VAL 70 N -3.03 1.08 -0.07 3.57 -7.23 -0.16 -3.07 120.40 111.49 2dbk s VAL 70 Ca 0.05 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2dbk s VAL 70 Cb 0.15 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2dbk s VAL 70 CO 0.85 -0.50 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.28 2dbk s LYS 71 N -3.82 1.62 0.13 4.82 2.20 -1.13 -4.89 119.74 118.67 2dbk s LYS 71 Ca 0.23 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 2dbk s LYS 71 Cb 0.04 -1.38 -0.09 0.00 -1.51 0.00 0.00 37.83 34.89 2dbk s LYS 71 CO 0.05 -0.02 1.51 0.42 -0.36 0.00 0.00 175.35 176.96 2dbk s ILE 72 N 0.81 2.96 0.17 5.43 -1.09 -1.26 -2.76 121.20 125.45 2dbk s ILE 72 Ca -0.12 0.65 0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2dbk s ILE 72 Cb -0.15 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2dbk s ILE 72 CO 0.02 0.04 0.03 0.72 -1.23 0.00 0.00 174.94 174.52 2dbk s PHE 73 N 1.40 1.14 -0.66 3.97 -0.71 -1.26 -4.97 117.98 116.88 2dbk s PHE 73 Ca 0.68 -1.10 -0.11 0.00 -1.04 0.00 0.00 56.93 55.36 2dbk s PHE 73 Cb -0.40 -0.65 0.17 0.00 -1.21 0.00 0.00 43.02 40.93 2dbk s PHE 73 CO 0.31 -0.32 0.57 -0.51 -1.34 0.00 0.00 175.22 173.93 2dbk s ASP 74 N -3.15 6.13 0.11 1.98 1.01 -1.26 -4.84 116.67 116.66 2dbk s ASP 74 Ca 0.25 -2.42 -0.13 0.00 0.71 0.00 0.00 52.55 50.96 2dbk s ASP 74 Cb 0.07 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 2dbk s ASP 74 CO 0.04 -0.60 1.44 1.55 0.21 0.00 0.00 175.17 177.81 2dbk h PRO 75 N 7.94 0.79 -0.75 8.23 0.13 -1.99 -3.21 132.00 143.13 2dbk h PRO 75 Ca -0.05 -0.42 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 2dbk h PRO 75 Cb 1.04 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 31.91 2dbk h PRO 75 CO 0.81 1.05 0.18 1.04 -0.23 0.00 0.00 178.00 180.85 2dbk n GLN 76 N -4.19 2.56 -0.95 0.86 1.13 -1.26 -5.01 117.38 110.52 2dbk n GLN 76 Ca -0.03 -3.41 -0.21 0.00 -1.94 0.00 0.00 57.00 51.41 2dbk n GLN 76 Cb 0.50 -2.13 -0.11 0.00 0.11 0.00 0.00 30.24 28.61 2dbk n GLN 76 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2dbk n ASN 77 N -0.98 -0.26 0.00 1.08 0.23 -1.22 -4.67 115.26 109.46 2dbk n ASN 77 Ca 0.50 -0.07 0.08 0.00 -0.53 0.00 0.00 54.58 54.55 2dbk n ASN 77 Cb 1.02 -0.48 0.42 0.00 -2.08 0.00 0.00 39.78 38.65 2dbk n ASN 77 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2dbk n PRO 78 N 4.62 0.35 -2.79 -0.53 -0.04 -1.26 -4.72 135.00 130.63 2dbk n PRO 78 Ca 0.42 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 2dbk n PRO 78 Cb 0.05 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 2dbk n PRO 78 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dbk s ASP 79 N -2.29 7.21 -1.06 3.54 1.47 -1.26 -4.99 116.67 119.29 2dbk s ASP 79 Ca 0.19 1.47 -0.13 0.00 1.18 0.00 0.00 52.55 55.26 2dbk s ASP 79 Cb 0.10 -2.52 0.22 0.00 -0.34 0.00 0.00 42.92 40.38 2dbk s ASP 79 CO 0.20 -0.30 1.14 -1.83 0.68 0.00 0.00 175.17 175.06 2dbk s GLU 80 N 1.37 3.97 -0.38 2.11 -1.05 -1.26 -5.01 118.70 118.45 2dbk s GLU 80 Ca 0.46 -2.69 -0.28 0.00 -0.15 0.00 0.00 54.97 52.31 2dbk s GLU 80 Cb -0.19 -4.72 0.02 0.00 -0.44 0.00 0.00 34.13 28.80 2dbk s GLU 80 CO 0.21 -1.47 1.06 1.21 0.95 0.00 0.00 175.26 177.23 2dbk s ASN 81 N 2.23 6.78 0.29 0.83 2.47 -1.26 -5.03 114.94 121.25 2dbk s ASN 81 Ca 0.32 0.75 0.06 0.00 0.42 0.00 0.00 52.86 54.41 2dbk s ASN 81 Cb -0.07 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.18 2dbk s ASN 81 CO -0.06 -1.00 0.36 -1.61 -3.72 0.00 0.00 177.10 171.07 2dbk s GLU 82 N 3.88 3.13 -0.63 0.43 0.41 -1.26 -5.05 118.70 119.61 2dbk s GLU 82 Ca 0.45 -0.98 -0.26 0.00 -0.41 0.00 0.00 54.97 53.77 2dbk s GLU 82 Cb -0.10 -2.75 0.04 0.00 -1.78 0.00 0.00 34.13 29.54 2dbk s GLU 82 CO 0.22 0.24 1.11 -1.54 -0.49 0.00 0.00 175.26 174.80 2dbk s SER 83 N -4.03 6.30 0.01 -0.19 1.04 -1.26 -4.99 113.70 110.58 2dbk s SER 83 Ca 0.39 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2dbk s SER 83 Cb -0.08 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 2dbk s SER 83 CO 0.29 -1.50 0.05 -0.83 0.98 0.00 0.00 173.24 172.23 2dbk s GLY 84 N 3.24 0.14 -0.92 7.32 0.00 -1.26 -5.09 107.32 110.76 2dbk s GLY 84 Ca 0.34 -0.34 -0.24 0.00 0.00 0.00 0.00 44.72 44.48 2dbk s GLY 84 CO 0.18 -0.43 1.95 2.56 0.00 0.00 0.00 173.10 177.36 2dbk s PRO 85 N -1.30 2.55 -1.08 2.90 0.04 -1.26 -4.88 135.00 131.98 2dbk s PRO 85 Ca -0.14 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.32 2dbk s PRO 85 Cb -0.08 -5.07 -0.16 0.00 0.04 0.00 0.00 34.50 29.23 2dbk s PRO 85 CO 0.00 -3.41 1.98 0.43 0.04 0.00 0.00 177.00 176.05 2dbk n SER 86 N 13.99 2.35 -4.63 6.66 7.64 -1.26 -4.89 113.62 133.49 2dbk n SER 86 Ca 0.40 -2.62 -0.43 0.00 1.01 0.00 0.00 58.87 57.24 2dbk n SER 86 Cb 0.47 -1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 2dbk n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dbk s SER 87 N 7.13 5.96 0.00 6.43 1.04 -1.26 -5.34 113.70 127.65 2dbk s SER 87 Ca 0.72 2.17 0.00 0.00 0.48 0.00 0.00 55.95 59.32 2dbk s SER 87 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2dbk s SER 87 CO 0.16 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.48