#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tgs s SER 1 N 0.00 4.21 0.00 3.42 0.01 -1.26 -5.08 113.70 114.99 1tgs s SER 1 Ca 0.00 -2.99 0.00 0.00 1.31 0.00 0.00 55.95 54.27 1tgs s SER 1 Cb 0.00 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1tgs s SER 1 CO 0.00 -0.23 0.00 -0.81 0.41 0.00 0.00 173.24 172.61 1tgs n PRO 2 N 3.12 2.34 0.00 12.44 -0.05 -1.26 -4.85 135.00 146.74 1tgs n PRO 2 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 1tgs n PRO 2 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.78 1tgs n PRO 2 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 1tgs n GLN 3 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.86 117.38 117.82 1tgs n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tgs n GLN 3 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1tgs n GLN 3 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1tgs n ARG 4 N 0.00 0.00 -1.70 -1.09 0.63 -1.24 -4.78 116.66 108.48 1tgs n ARG 4 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1tgs n ARG 4 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 1tgs n ARG 4 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1tgs s GLU 5 N -1.32 3.00 -0.15 -0.14 2.02 -1.26 -0.19 118.70 120.66 1tgs s GLU 5 Ca 0.00 1.06 -0.29 0.00 0.02 0.00 0.00 54.97 55.76 1tgs s GLU 5 Cb 0.00 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1tgs s GLU 5 CO 0.00 -1.05 1.13 0.00 0.02 0.00 0.00 175.26 175.35 1tgs s ALA 6 N -2.83 3.58 -0.81 5.21 0.00 -1.26 -4.88 121.76 120.77 1tgs s ALA 6 Ca 0.60 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 1tgs s ALA 6 Cb -0.15 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1tgs s ALA 6 CO 0.49 -0.93 1.02 -0.08 0.00 0.00 0.00 175.76 176.26 1tgs s THR 7 N 2.82 4.67 -0.33 0.00 -1.32 -1.26 -5.00 115.64 115.22 1tgs s THR 7 Ca 0.50 -1.22 0.03 0.00 -1.21 0.00 0.00 61.69 59.79 1tgs s THR 7 Cb -0.20 -4.71 0.09 0.00 -1.51 0.00 0.00 72.50 66.18 1tgs s THR 7 CO 0.14 -1.43 0.03 0.00 -2.21 0.00 0.00 174.62 171.16 1tgs n THR 10 N 4.35 2.81 -3.82 0.00 -1.04 -1.26 -5.06 114.28 110.25 1tgs n THR 10 Ca -0.02 -5.26 -0.36 0.00 -2.04 0.00 0.00 64.05 56.37 1tgs n THR 10 Cb 0.42 -2.16 -0.07 0.00 -1.82 0.00 0.00 70.33 66.70 1tgs n THR 10 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1tgs s SER 11 N -1.82 6.33 0.00 8.00 0.15 -1.26 -4.97 113.70 120.14 1tgs s SER 11 Ca 0.34 0.39 0.23 0.00 0.70 0.00 0.00 55.95 57.61 1tgs s SER 11 Cb 0.06 -2.08 0.81 0.00 -1.71 0.00 0.00 66.02 63.11 1tgs s SER 11 CO -0.04 0.33 1.59 -0.62 1.20 0.00 0.00 173.24 175.70 1tgs n GLU 12 N 2.51 1.73 -4.27 5.44 -0.58 -1.26 -4.87 120.64 119.35 1tgs n GLU 12 Ca -0.19 -1.09 -0.25 0.00 -0.42 0.00 0.00 57.16 55.22 1tgs n GLU 12 Cb 0.54 -1.42 -0.08 0.00 -0.57 0.00 0.00 31.44 29.91 1tgs n GLU 12 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1tgs s VAL 13 N -1.84 3.48 -0.56 2.62 -7.23 -1.26 -5.02 120.40 110.60 1tgs s VAL 13 Ca 0.34 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1tgs s VAL 13 Cb 0.18 -2.80 0.17 0.00 0.56 0.00 0.00 36.38 34.49 1tgs s VAL 13 CO 0.28 -0.24 2.49 -1.20 -0.31 0.00 0.00 175.10 176.12 1tgs n SER 14 N -0.45 6.80 -3.70 4.85 7.64 -1.26 -4.87 113.62 122.63 1tgs n SER 14 Ca -0.08 -3.39 -0.08 0.00 1.01 0.00 0.00 58.87 56.33 1tgs n SER 14 Cb 0.57 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 1tgs n SER 14 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1tgs s GLY 15 N -0.13 -0.28 0.11 0.23 0.00 -1.26 -5.17 107.32 100.81 1tgs s GLY 15 Ca 0.55 0.06 0.10 0.00 0.00 0.00 0.00 44.72 45.43 1tgs s GLY 15 CO -0.25 0.02 -0.23 0.00 0.00 0.00 0.00 173.10 172.64 1tgs s PRO 17 N -1.94 3.06 -0.52 0.00 0.04 -1.26 -4.93 135.00 129.45 1tgs s PRO 17 Ca 0.15 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 1tgs s PRO 17 Cb -0.10 -2.18 0.24 0.00 0.04 0.00 0.00 34.50 32.50 1tgs s PRO 17 CO 0.07 -1.23 2.25 1.63 0.04 0.00 0.00 177.00 179.76 1tgs n LYS 18 N -1.18 2.32 -3.34 4.56 5.02 -1.26 -4.94 118.16 119.34 1tgs n LYS 18 Ca 0.11 -2.47 -0.36 0.00 -2.02 0.00 0.00 58.31 53.57 1tgs n LYS 18 Cb 0.46 -2.02 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 1tgs n LYS 18 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1tgs s ILE 19 N -3.26 4.83 -0.66 -0.18 2.07 -1.26 -5.02 121.20 117.72 1tgs s ILE 19 Ca 0.50 0.91 -0.18 0.00 -1.41 0.00 0.00 60.65 60.48 1tgs s ILE 19 Cb 0.37 -3.77 0.13 0.00 0.13 0.00 0.00 42.46 39.32 1tgs s ILE 19 CO -0.13 0.31 0.73 -0.47 -1.91 0.00 0.00 174.94 173.48 1tgs s TYR 20 N -1.39 3.16 -0.44 3.50 6.04 -1.26 -4.51 117.35 122.44 1tgs s TYR 20 Ca 0.36 -1.21 0.07 0.00 0.04 0.00 0.00 57.07 56.33 1tgs s TYR 20 Cb -0.16 -3.99 0.23 0.00 -1.04 0.00 0.00 41.96 37.01 1tgs s TYR 20 CO 0.19 -1.24 0.52 -1.71 -1.54 0.00 0.00 175.55 171.78 1tgs n ASN 21 N 5.86 0.71 -4.73 4.32 4.05 0.51 -5.03 115.26 120.96 1tgs n ASN 21 Ca -0.03 -2.77 -0.35 0.00 0.45 0.00 0.00 54.58 51.87 1tgs n ASN 21 Cb 0.43 -0.63 0.07 0.00 1.23 0.00 0.00 39.78 40.88 1tgs n ASN 21 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1tgs s PRO 22 N -1.18 2.43 -0.00 1.20 0.04 -1.12 -3.81 135.00 132.55 1tgs s PRO 22 Ca 0.35 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1tgs s PRO 22 Cb 0.14 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1tgs s PRO 22 CO -0.11 -1.64 -0.01 0.14 0.04 0.00 0.00 177.00 175.42 1tgs s VAL 23 N -1.71 0.07 -0.47 -0.36 -7.23 -0.08 -1.17 120.40 109.46 1tgs s VAL 23 Ca 0.78 -0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.70 1tgs s VAL 23 Cb -0.32 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.57 1tgs s VAL 23 CO 0.41 0.03 0.75 0.00 -0.31 0.00 0.00 175.10 175.98 1tgs n GLY 25 N 5.05 0.57 0.17 0.00 0.00 -0.14 -0.50 105.19 110.35 1tgs n GLY 25 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1tgs n GLY 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1tgs h THR 26 N 0.88 0.00 0.00 2.61 1.35 -1.45 0.07 112.91 116.37 1tgs h THR 26 Ca -0.51 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1tgs h THR 26 Cb 1.33 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1tgs h THR 26 CO 0.54 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.91 1tgs n ASP 27 N -2.36 0.66 0.00 5.36 3.85 -1.26 -4.92 116.55 117.87 1tgs n ASP 27 Ca 0.00 0.59 0.00 0.00 -0.71 0.00 0.00 54.79 54.67 1tgs n ASP 27 Cb 0.13 -0.76 0.00 0.00 -1.35 0.00 0.00 41.12 39.15 1tgs n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1tgs n GLY 28 N 0.91 0.75 3.80 6.12 0.00 0.01 -5.07 105.19 111.71 1tgs n GLY 28 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1tgs n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tgs s ILE 29 N -2.27 5.09 -0.31 -0.61 -1.09 -1.26 -4.88 121.20 115.88 1tgs s ILE 29 Ca 0.00 0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 59.01 1tgs s ILE 29 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1tgs s ILE 29 CO 0.00 0.51 0.79 -0.89 -1.23 0.00 0.00 174.94 174.12 1tgs s THR 30 N -0.58 4.79 -0.21 2.92 2.01 -1.26 -0.97 115.64 122.34 1tgs s THR 30 Ca 0.23 1.19 -0.14 0.00 0.31 0.00 0.00 61.69 63.28 1tgs s THR 30 Cb -0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1tgs s THR 30 CO 0.12 -0.25 0.33 -0.31 -0.69 0.00 0.00 174.62 173.82 1tgs s TYR 31 N 2.96 3.36 0.16 4.92 1.51 0.00 -4.95 117.35 125.31 1tgs s TYR 31 Ca 0.32 0.50 0.33 0.00 -1.01 0.00 0.00 57.07 57.22 1tgs s TYR 31 Cb -0.14 -2.45 1.70 0.00 -0.11 0.00 0.00 41.96 40.96 1tgs s TYR 31 CO 0.12 0.01 2.01 0.66 -1.11 0.00 0.00 175.55 177.25 1tgs h SER 32 N 7.40 0.00 -5.15 2.29 4.64 -1.88 -0.17 113.55 120.68 1tgs h SER 32 Ca -0.37 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.09 1tgs h SER 32 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 1tgs h SER 32 CO 0.70 0.00 0.42 0.54 -0.87 0.00 0.00 176.83 177.62 1tgs s ASN 33 N -4.78 -0.24 0.43 4.97 2.20 -1.25 -0.36 114.94 115.91 1tgs s ASN 33 Ca -0.02 -0.36 0.14 0.00 -0.94 0.00 0.00 52.86 51.68 1tgs s ASN 33 Cb 0.10 0.53 0.93 0.00 -2.00 0.00 0.00 41.25 40.80 1tgs s ASN 33 CO 0.36 -0.95 1.95 -0.08 -2.94 0.00 0.00 177.10 175.44 1tgs h GLU 34 N 2.00 0.00 -0.09 3.55 4.81 -1.84 -1.75 114.58 121.26 1tgs h GLU 34 Ca -0.23 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1tgs h GLU 34 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1tgs h GLU 34 CO 0.26 0.23 -0.42 0.00 -0.73 0.00 0.00 179.01 178.36 1tgs h VAL 36 N 0.16 1.29 -0.43 0.00 2.07 -1.72 -0.52 116.25 117.11 1tgs h VAL 36 Ca 0.01 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1tgs h VAL 36 Cb 0.82 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1tgs h VAL 36 CO 0.06 0.53 0.01 0.25 0.02 0.00 0.00 177.57 178.45 1tgs h LEU 37 N 0.62 0.64 -0.05 2.57 5.85 -0.99 -0.63 115.31 123.32 1tgs h LEU 37 Ca 0.04 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1tgs h LEU 37 Cb 1.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1tgs h LEU 37 CO 0.10 0.71 0.03 0.00 -0.34 0.00 0.00 178.44 178.93 1tgs h SER 39 N 0.00 0.16 -0.26 0.00 4.64 -0.64 -2.30 113.55 115.16 1tgs h SER 39 Ca 0.02 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1tgs h SER 39 Cb 0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1tgs h SER 39 CO -0.00 0.56 -0.23 -0.08 -0.87 0.00 0.00 176.83 176.21 1tgs h GLU 40 N 0.13 0.74 -0.68 4.77 4.57 -0.60 -2.67 114.58 120.84 1tgs h GLU 40 Ca 0.01 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 57.81 1tgs h GLU 40 Cb 0.79 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1tgs h GLU 40 CO 0.06 0.91 0.13 -0.91 -1.18 0.00 0.00 179.01 178.01 1tgs h ASN 41 N 0.65 1.07 0.61 1.04 -0.26 -0.50 -3.14 115.58 115.05 1tgs h ASN 41 Ca 0.09 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1tgs h ASN 41 Cb 0.74 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1tgs h ASN 41 CO 0.06 1.05 0.00 2.29 -1.06 0.00 0.00 177.43 179.77 1tgs n LYS 42 N -4.22 0.17 -1.17 0.81 2.85 -0.90 -0.61 118.16 115.07 1tgs n LYS 42 Ca 0.05 0.43 -0.21 0.00 -1.05 0.00 0.00 58.31 57.52 1tgs n LYS 42 Cb 0.28 -1.84 0.18 0.00 -0.65 0.00 0.00 35.03 33.01 1tgs n LYS 42 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1tgs n LYS 43 N -2.15 2.21 -4.86 -1.58 2.85 -1.19 -4.86 118.16 108.59 1tgs n LYS 43 Ca 0.02 -3.06 -0.29 0.00 -1.05 0.00 0.00 58.31 53.93 1tgs n LYS 43 Cb 0.20 -2.13 -0.15 0.00 -0.65 0.00 0.00 35.03 32.30 1tgs n LYS 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1tgs s ARG 44 N -3.32 1.72 -0.19 -1.58 0.52 0.22 -5.01 118.95 111.31 1tgs s ARG 44 Ca 0.55 -1.07 0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1tgs s ARG 44 Cb 0.47 -1.88 0.65 0.00 0.52 0.00 0.00 34.95 34.71 1tgs s ARG 44 CO 0.09 0.49 1.48 0.00 0.02 0.00 0.00 175.30 177.38 1tgs n GLN 45 N 1.80 4.07 -3.15 3.54 10.64 -1.26 -4.62 117.38 128.39 1tgs n GLN 45 Ca -0.17 -2.48 0.05 0.00 -1.83 0.00 0.00 57.00 52.57 1tgs n GLN 45 Cb 0.52 -2.10 -0.01 0.00 -0.86 0.00 0.00 30.24 27.79 1tgs n GLN 45 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1tgs s THR 46 N -2.38 -0.75 0.14 -0.39 -1.32 -1.26 -5.16 115.64 104.52 1tgs s THR 46 Ca 0.43 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.60 1tgs s THR 46 Cb 0.33 -0.86 -0.09 0.00 -1.51 0.00 0.00 72.50 70.37 1tgs s THR 46 CO 0.13 0.00 1.49 -2.16 -2.21 0.00 0.00 174.62 171.87 1tgs s PRO 47 N 2.88 4.26 0.03 7.08 0.04 -1.26 -5.03 135.00 143.01 1tgs s PRO 47 Ca 0.15 2.23 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1tgs s PRO 47 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1tgs s PRO 47 CO -0.22 -0.54 0.92 0.08 0.04 0.00 0.00 177.00 177.29 1tgs s VAL 48 N 1.19 4.76 0.58 -0.36 1.01 -1.26 -5.05 120.40 121.27 1tgs s VAL 48 Ca 0.68 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.71 1tgs s VAL 48 Cb -0.40 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 31.80 1tgs s VAL 48 CO 0.31 0.24 0.79 -0.76 0.00 0.00 0.00 175.10 175.68 1tgs s LEU 49 N 0.56 3.07 -0.40 3.92 1.43 -1.26 -4.81 118.68 121.20 1tgs s LEU 49 Ca 0.47 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1tgs s LEU 49 Cb -0.21 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1tgs s LEU 49 CO 0.27 -1.36 0.41 -0.63 0.23 0.00 0.00 176.35 175.26 1tgs s ILE 50 N -2.68 5.12 -0.01 -0.59 1.01 0.73 -1.14 121.20 123.65 1tgs s ILE 50 Ca 0.62 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 1tgs s ILE 50 Cb -0.05 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.24 1tgs s ILE 50 CO 0.39 -0.33 1.18 -0.61 0.00 0.00 0.00 174.94 175.57 1tgs h GLN 51 N 8.65 0.23 -3.05 2.79 4.15 -1.04 -3.28 115.11 123.57 1tgs h GLN 51 Ca -0.27 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 1tgs h GLN 51 Cb 1.12 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.72 1tgs h GLN 51 CO 0.76 0.80 0.18 -1.59 -1.93 0.00 0.00 178.83 177.06 1tgs s LYS 52 N -3.72 1.27 0.36 1.69 -2.85 -1.15 -4.99 119.74 110.34 1tgs s LYS 52 Ca -0.15 -0.51 -0.19 0.00 -1.00 0.00 0.00 55.97 54.12 1tgs s LYS 52 Cb 0.03 0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 36.28 1tgs s LYS 52 CO 0.74 -0.55 0.84 -1.12 0.10 0.00 0.00 175.35 175.36 1tgs s SER 53 N -2.76 6.92 0.00 0.03 0.01 -1.26 -0.15 113.70 116.49 1tgs s SER 53 Ca 0.01 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1tgs s SER 53 Cb -0.01 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1tgs s SER 53 CO -0.12 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1tgs n GLY 54 N -0.31 -0.37 3.75 3.44 0.00 -0.32 -4.73 105.19 106.66 1tgs n GLY 54 Ca 0.04 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1tgs n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tgs s PRO 55 N -2.10 2.82 0.00 1.61 0.04 -1.26 -1.52 135.00 134.59 1tgs s PRO 55 Ca 0.00 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1tgs s PRO 55 Cb 0.00 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.86 1tgs s PRO 55 CO 0.00 -1.30 0.72 0.00 0.04 0.00 0.00 177.00 176.46