#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k94 n THR 2 N 0.00 0.00 0.23 2.46 -2.24 -1.26 -4.76 114.28 108.70 2k94 n THR 2 Ca 0.00 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 2k94 n THR 2 Cb 0.00 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 66.94 2k94 n THR 2 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2k94 h ILE 3 N -2.32 0.60 -0.11 2.28 1.08 -1.93 -2.34 117.51 114.77 2k94 h ILE 3 Ca -0.30 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 2k94 h ILE 3 Cb 0.90 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 2k94 h ILE 3 CO 0.20 0.04 -0.06 1.05 -0.69 0.00 0.00 178.15 178.68 2k94 h GLU 4 N -0.65 0.24 -1.39 2.37 4.11 -1.93 -1.80 114.58 115.54 2k94 h GLU 4 Ca -0.06 -0.11 0.41 0.00 0.07 0.00 0.00 59.36 59.68 2k94 h GLU 4 Cb 0.48 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2k94 h GLU 4 CO 0.09 0.60 0.95 1.49 0.07 0.00 0.00 179.01 182.22 2k94 h GLU 5 N -0.11 0.09 0.00 1.06 4.57 -1.90 1.91 114.58 120.19 2k94 h GLU 5 Ca 0.02 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.97 2k94 h GLU 5 Cb 0.53 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2k94 h GLU 5 CO 0.02 0.06 -1.41 0.00 -1.18 0.00 0.00 179.01 176.50 2k94 h ARG 6 N 0.09 0.00 -0.13 1.92 3.08 -1.18 -3.33 114.38 114.83 2k94 h ARG 6 Ca 0.74 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.59 2k94 h ARG 6 Cb 2.59 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.65 2k94 h ARG 6 CO -0.19 0.51 -0.71 0.28 -1.07 0.00 0.00 179.97 178.80 2k94 h VAL 7 N 0.00 1.31 -0.26 2.04 2.07 0.34 -3.27 116.25 118.48 2k94 h VAL 7 Ca -0.18 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 65.46 2k94 h VAL 7 Cb 1.80 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.58 2k94 h VAL 7 CO 0.08 0.61 -0.20 0.11 0.02 0.00 0.00 177.57 178.18 2k94 h LYS 8 N 0.39 -0.18 0.00 1.57 1.79 0.54 0.42 116.57 121.10 2k94 h LYS 8 Ca -0.05 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2k94 h LYS 8 Cb 1.35 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2k94 h LYS 8 CO 0.15 -0.12 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 2k94 n LYS 9 N -5.35 0.00 -0.23 3.15 5.02 -1.23 -0.11 118.16 119.40 2k94 n LYS 9 Ca -0.00 0.55 -0.01 0.00 -2.02 0.00 0.00 58.31 56.83 2k94 n LYS 9 Cb 0.27 -1.05 0.06 0.00 -0.02 0.00 0.00 35.03 34.29 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k94 h ILE 10 N 0.00 0.26 0.00 -0.18 2.04 -1.65 0.13 117.51 118.10 2k94 h ILE 10 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k94 h ILE 10 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2k94 h ILE 10 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.77 2k94 n ILE 11 N -5.46 0.00 -0.33 -0.67 2.08 0.13 0.66 119.36 115.76 2k94 n ILE 11 Ca 0.08 1.03 0.22 0.00 0.56 0.00 0.00 62.75 64.64 2k94 n ILE 11 Cb 0.36 -1.60 0.44 0.00 -0.75 0.00 0.00 39.64 38.10 2k94 n ILE 11 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2k94 h GLY 12 N 0.00 1.97 0.15 7.39 0.00 -0.23 -1.26 103.07 111.10 2k94 h GLY 12 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2k94 h GLY 12 CO 0.00 -0.44 -0.21 1.46 0.00 0.00 0.00 176.54 177.36 2k94 h GLN 13 N 0.36 -0.36 -0.94 4.80 7.50 0.12 1.11 115.11 127.70 2k94 h GLN 13 Ca 0.70 0.02 0.18 0.00 0.50 0.00 0.00 58.65 60.05 2k94 h GLN 13 Cb 1.53 0.08 -0.17 0.00 0.05 0.00 0.00 27.48 28.97 2k94 h GLN 13 CO -0.59 -0.24 -0.26 1.04 -1.50 0.00 0.00 178.83 177.28 2k94 n GLN 14 N -3.59 -0.11 -0.18 1.46 6.02 0.21 0.16 117.38 121.35 2k94 n GLN 14 Ca -0.04 1.47 -0.09 0.00 -0.01 0.00 0.00 57.00 58.32 2k94 n GLN 14 Cb 0.18 -2.19 0.01 0.00 1.02 0.00 0.00 30.24 29.26 2k94 n GLN 14 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2k94 h LEU 15 N 0.00 0.85 0.00 1.08 -0.00 -1.10 -3.47 115.31 112.67 2k94 h LEU 15 Ca 0.43 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2k94 h LEU 15 Cb 0.66 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2k94 h LEU 15 CO -0.96 0.93 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 2k94 n GLY 16 N -0.45 0.69 3.52 0.83 0.00 0.42 -5.11 105.19 105.10 2k94 n GLY 16 Ca 0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 2k94 n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k94 s VAL 17 N -1.03 0.00 0.59 1.61 -7.23 0.09 -4.98 120.40 109.45 2k94 s VAL 17 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 2k94 s VAL 17 Cb 0.00 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2k94 s VAL 17 CO 0.00 0.00 1.00 2.29 -0.31 0.00 0.00 175.10 178.08 2k94 n LYS 18 N 0.89 0.96 0.14 4.82 2.85 -1.26 -3.43 118.16 123.12 2k94 n LYS 18 Ca -0.19 0.37 0.17 0.00 -1.05 0.00 0.00 58.31 57.61 2k94 n LYS 18 Cb 0.57 -2.20 0.75 0.00 -0.65 0.00 0.00 35.03 33.50 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 177.40 176.79 2k94 h GLN 19 N 0.57 0.00 0.00 -1.58 -0.00 -1.85 0.50 115.11 112.75 2k94 h GLN 19 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 2k94 h GLN 19 Cb 1.36 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.84 2k94 h GLN 19 CO 0.51 0.00 -0.10 1.49 -0.00 0.00 0.00 178.83 180.73 2k94 h GLU 20 N 0.00 0.00 0.00 0.06 4.81 -1.95 -2.56 114.58 114.94 2k94 h GLU 20 Ca 0.13 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2k94 h GLU 20 Cb 0.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2k94 h GLU 20 CO -0.00 0.10 -0.68 1.49 -0.73 0.00 0.00 179.01 179.20 2k94 h GLU 21 N 0.00 0.00 -6.48 1.92 4.22 -0.30 -3.43 114.58 110.50 2k94 h GLU 21 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.90 2k94 h GLU 21 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k94 h GLU 21 CO 0.01 0.68 0.66 0.08 -2.18 0.00 0.00 179.01 178.26 2k94 s VAL 22 N -3.32 3.75 -0.05 0.32 1.01 -0.97 -5.02 120.40 116.13 2k94 s VAL 22 Ca -0.00 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2k94 s VAL 22 Cb 0.11 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2k94 s VAL 22 CO 0.77 0.08 -0.12 0.42 0.00 0.00 0.00 175.10 176.24 2k94 s THR 23 N 1.32 3.24 0.19 3.92 -4.23 -1.26 -5.01 115.64 113.81 2k94 s THR 23 Ca 0.61 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 2k94 s THR 23 Cb -0.32 -2.29 0.11 0.00 1.34 0.00 0.00 72.50 71.34 2k94 s THR 23 CO 0.29 0.58 1.85 0.78 -0.54 0.00 0.00 174.62 177.58 2k94 h ASN 24 N 5.25 0.71 -2.00 3.99 4.21 -1.95 -3.02 115.58 122.77 2k94 h ASN 24 Ca -0.47 -0.01 -0.79 0.00 1.21 0.00 0.00 56.30 56.24 2k94 h ASN 24 Cb 1.16 -0.17 -0.22 0.00 -1.12 0.00 0.00 38.32 37.97 2k94 h ASN 24 CO 0.51 0.51 1.47 0.59 -1.29 0.00 0.00 177.43 179.21 2k94 n ASN 25 N -4.66 7.06 0.00 5.81 3.02 -1.26 -3.97 115.26 121.26 2k94 n ASN 25 Ca 0.05 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 2k94 n ASN 25 Cb 0.04 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k94 n ALA 26 N 1.18 0.00 -2.70 5.41 0.00 -1.14 -5.12 120.51 118.14 2k94 n ALA 26 Ca 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.85 2k94 n ALA 26 Cb 0.28 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.77 2k94 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k94 n SER 27 N 0.00 -2.13 -0.58 0.00 2.88 -1.26 -4.72 113.62 107.82 2k94 n SER 27 Ca 0.00 -1.92 0.44 0.00 -1.33 0.00 0.00 58.87 56.07 2k94 n SER 27 Cb 0.00 1.13 0.69 0.00 -0.75 0.00 0.00 64.21 65.28 2k94 n SER 27 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2k94 n PHE 28 N 2.35 0.13 0.00 0.66 1.16 0.12 0.14 117.46 122.03 2k94 n PHE 28 Ca 0.11 0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.82 2k94 n PHE 28 Cb 0.63 -0.56 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2k94 n VAL 29 N -3.84 0.00 -0.11 1.97 0.31 -0.85 -0.79 118.33 115.03 2k94 n VAL 29 Ca 0.38 1.35 -0.24 0.00 -0.01 0.00 0.00 64.34 65.81 2k94 n VAL 29 Cb 1.68 -2.22 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 2k94 n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 30 N -1.76 0.61 -0.11 5.55 1.02 0.09 -1.13 120.64 124.91 2k94 n GLU 30 Ca 0.00 0.37 -0.03 0.00 -0.02 0.00 0.00 57.16 57.48 2k94 n GLU 30 Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k94 n ASP 31 N -4.11 -0.28 0.13 1.62 2.03 0.38 -0.76 116.55 115.54 2k94 n ASP 31 Ca -0.42 1.09 0.04 0.00 0.52 0.00 0.00 54.79 56.02 2k94 n ASP 31 Cb 0.84 -0.37 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k94 h LEU 32 N 0.00 0.00 -2.10 -2.67 -0.00 -1.56 -3.48 115.31 105.50 2k94 h LEU 32 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 2k94 h LEU 32 Cb 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2k94 h LEU 32 CO -0.25 0.41 -0.07 0.61 -0.00 0.00 0.00 178.44 179.13 2k94 n GLY 33 N 1.24 0.41 3.53 0.83 0.00 0.06 -4.97 105.19 106.29 2k94 n GLY 33 Ca -0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2k94 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k94 s ALA 34 N -3.03 2.83 1.03 4.61 0.00 0.03 -4.97 121.76 122.25 2k94 s ALA 34 Ca 0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 2k94 s ALA 34 Cb -0.00 -4.27 0.19 0.00 0.00 0.00 0.00 23.12 19.04 2k94 s ALA 34 CO 0.07 -3.30 0.41 -0.40 0.00 0.00 0.00 175.76 172.54 2k94 n ASP 35 N 8.83 -3.13 0.09 0.00 5.68 -1.26 -3.60 116.55 123.17 2k94 n ASP 35 Ca 0.12 -0.44 0.09 0.00 -0.50 0.00 0.00 54.79 54.06 2k94 n ASP 35 Cb 0.49 -0.77 0.40 0.00 -1.14 0.00 0.00 41.12 40.10 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2k94 n SER 36 N -1.59 0.40 -0.06 -1.12 3.41 -1.26 0.77 113.62 114.17 2k94 n SER 36 Ca 0.07 0.64 -0.04 0.00 -0.26 0.00 0.00 58.87 59.27 2k94 n SER 36 Cb 0.34 -0.71 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 2k94 n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k94 n LEU 37 N -1.98 0.19 0.01 1.04 4.32 -1.26 -3.68 117.00 115.63 2k94 n LEU 37 Ca 0.01 0.08 -0.04 0.00 -0.02 0.00 0.00 56.01 56.04 2k94 n LEU 37 Cb 0.12 0.32 -0.11 0.00 -1.62 0.00 0.00 43.42 42.13 2k94 n LEU 37 CO 0.12 0.34 -0.40 -0.67 -1.22 0.00 0.00 177.39 175.56 2k94 n ASP 38 N -2.69 0.86 0.03 -1.43 -0.08 -0.56 -3.54 116.55 109.14 2k94 n ASP 38 Ca -0.23 0.40 -0.12 0.00 -1.51 0.00 0.00 54.79 53.32 2k94 n ASP 38 Cb 0.99 0.06 -0.01 0.00 2.34 0.00 0.00 41.12 44.50 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2k94 h THR 39 N 0.00 1.34 0.00 5.18 2.02 0.29 -2.97 112.91 118.77 2k94 h THR 39 Ca -0.22 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.88 2k94 h THR 39 Cb 1.79 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 2k94 h THR 39 CO 0.06 0.64 0.00 0.52 0.37 0.00 0.00 175.52 177.11 2k94 n VAL 40 N -3.87 0.00 -0.66 3.16 0.31 -1.24 -2.00 118.33 114.03 2k94 n VAL 40 Ca -0.05 1.01 0.49 0.00 -0.01 0.00 0.00 64.34 65.79 2k94 n VAL 40 Cb 0.72 -1.90 0.76 0.00 -0.91 0.00 0.00 33.84 32.51 2k94 n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k94 n GLU 41 N -1.46 -0.00 0.26 5.55 1.02 -1.23 0.10 120.64 124.89 2k94 n GLU 41 Ca 0.00 1.01 -0.14 0.00 -0.02 0.00 0.00 57.16 58.01 2k94 n GLU 41 Cb 0.00 -2.33 -0.07 0.00 -0.02 0.00 0.00 31.44 29.02 2k94 n GLU 41 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k94 h LEU 42 N 0.00 -0.58 -0.15 -4.62 7.12 -1.39 -1.47 115.31 114.22 2k94 h LEU 42 Ca 0.88 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 58.75 2k94 h LEU 42 Cb 3.50 0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 43.78 2k94 h LEU 42 CO -0.02 -0.21 -0.19 0.58 -0.13 0.00 0.00 178.44 178.46 2k94 h VAL 43 N -1.02 1.36 -0.44 1.05 2.07 0.13 -2.93 116.25 116.47 2k94 h VAL 43 Ca -0.07 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.14 2k94 h VAL 43 Cb 0.61 1.93 -0.10 0.00 -1.52 0.00 0.00 31.29 32.21 2k94 h VAL 43 CO 0.12 0.41 -0.28 -0.03 0.02 0.00 0.00 177.57 177.81 2k94 h MET 44 N 0.01 -0.18 0.06 1.57 1.85 0.23 0.66 114.93 119.12 2k94 h MET 44 Ca 0.02 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.15 2k94 h MET 44 Cb 0.75 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.77 2k94 h MET 44 CO 0.05 -0.12 -0.37 0.00 -0.40 0.00 0.00 176.91 176.06 2k94 h ALA 45 N 0.97 -0.62 -0.33 0.39 0.00 -1.28 -2.43 119.26 115.96 2k94 h ALA 45 Ca 0.20 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2k94 h ALA 45 Cb 0.51 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2k94 h ALA 45 CO -0.55 -0.92 -0.44 -0.07 0.00 0.00 0.00 179.25 177.28 2k94 h LEU 46 N -0.57 -1.44 -1.00 0.00 4.07 -1.09 0.89 115.31 116.17 2k94 h LEU 46 Ca 0.04 0.21 0.29 0.00 0.08 0.00 0.00 57.88 58.49 2k94 h LEU 46 Cb 0.63 0.61 -0.19 0.00 1.08 0.00 0.00 40.66 42.79 2k94 h LEU 46 CO -0.25 -0.39 0.06 -0.62 -1.08 0.00 0.00 178.44 176.16 2k94 n GLU 47 N -5.42 -0.08 0.09 1.13 1.02 0.13 0.16 120.64 117.67 2k94 n GLU 47 Ca -0.02 1.48 -0.14 0.00 -0.02 0.00 0.00 57.16 58.47 2k94 n GLU 47 Cb 0.35 -2.38 -0.09 0.00 -0.02 0.00 0.00 31.44 29.30 2k94 n GLU 47 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k94 h GLU 48 N 0.00 0.31 -1.02 3.49 4.81 -0.41 0.82 114.58 122.58 2k94 h GLU 48 Ca 0.62 -0.42 0.25 0.00 -0.13 0.00 0.00 59.36 59.68 2k94 h GLU 48 Cb 1.33 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.75 2k94 h GLU 48 CO -0.92 1.14 0.65 1.49 -0.73 0.00 0.00 179.01 180.64 2k94 h GLU 49 N 0.13 0.44 0.00 1.92 4.57 0.87 0.23 114.58 122.75 2k94 h GLU 49 Ca -0.10 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2k94 h GLU 49 Cb 1.77 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2k94 h GLU 49 CO 0.18 0.29 -0.04 1.19 -1.18 0.00 0.00 179.01 179.45 2k94 n PHE 50 N -4.66 0.00 -3.30 0.92 3.01 -0.48 -5.04 117.46 107.90 2k94 n PHE 50 Ca 0.25 -0.89 -0.17 0.00 1.01 0.00 0.00 57.45 57.65 2k94 n PHE 50 Cb 0.81 -0.14 0.02 0.00 -0.01 0.00 0.00 39.48 40.16 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k94 n ASP 51 N -1.27 -6.19 -3.61 4.37 8.00 0.17 -5.00 116.55 113.03 2k94 n ASP 51 Ca 0.14 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 2k94 n ASP 51 Cb 0.63 -1.79 -0.06 0.00 -0.02 0.00 0.00 41.12 39.89 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k94 s THR 52 N -1.24 0.00 -0.53 -3.53 -1.32 0.26 -4.97 115.64 104.31 2k94 s THR 52 Ca 0.17 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.46 2k94 s THR 52 Cb -0.02 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.05 2k94 s THR 52 CO 0.41 0.00 0.63 -0.70 -2.21 0.00 0.00 174.62 172.74 2k94 s GLU 53 N -0.58 3.08 -0.28 7.08 2.12 -1.26 -4.44 118.70 124.42 2k94 s GLU 53 Ca 0.01 -1.09 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 2k94 s GLU 53 Cb -0.02 -4.16 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 2k94 s GLU 53 CO -0.02 -1.31 1.58 -1.50 -0.54 0.00 0.00 175.26 173.46 2k94 s ILE 54 N 2.54 3.75 0.69 -3.70 -1.16 -1.26 -4.99 121.20 117.06 2k94 s ILE 54 Ca 0.13 0.82 -0.13 0.00 -0.51 0.00 0.00 60.65 60.96 2k94 s ILE 54 Cb -0.21 -3.83 0.01 0.00 0.61 0.00 0.00 42.46 39.04 2k94 s ILE 54 CO 0.09 -0.40 1.08 -2.16 -2.81 0.00 0.00 174.94 170.74 2k94 s PRO 55 N 4.81 2.80 0.53 3.50 0.04 -1.26 -4.87 135.00 140.55 2k94 s PRO 55 Ca 0.69 1.16 0.35 0.00 0.04 0.00 0.00 61.00 63.24 2k94 s PRO 55 Cb -0.22 -1.96 1.61 0.00 0.04 0.00 0.00 34.50 33.97 2k94 s PRO 55 CO 0.30 -1.22 2.04 0.22 0.04 0.00 0.00 177.00 178.38 2k94 h ASP 56 N -0.43 0.00 1.04 6.66 1.82 -1.99 -1.32 116.42 122.19 2k94 h ASP 56 Ca -0.45 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.07 2k94 h ASP 56 Cb 1.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2k94 h ASP 56 CO 0.55 0.00 -0.57 -0.33 -1.61 0.00 0.00 179.24 177.28 2k94 h GLU 57 N 0.00 0.00 0.00 0.28 3.07 -2.01 -3.16 114.58 112.76 2k94 h GLU 57 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 2k94 h GLU 57 Cb 0.32 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 2k94 h GLU 57 CO 0.00 0.57 -1.42 -1.91 -1.40 0.00 0.00 179.01 174.85 2k94 n GLU 58 N -3.44 0.62 0.22 2.33 2.13 -0.59 -3.81 120.64 118.09 2k94 n GLU 58 Ca 0.00 0.19 0.14 0.00 0.66 0.00 0.00 57.16 58.16 2k94 n GLU 58 Cb 0.68 -1.79 0.75 0.00 0.27 0.00 0.00 31.44 31.34 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k94 h ALA 59 N 1.49 1.03 -0.85 4.31 0.00 -1.27 -2.23 119.26 121.74 2k94 h ALA 59 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.93 2k94 h ALA 59 Cb 1.53 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2k94 h ALA 59 CO 0.04 -0.03 0.39 1.49 0.00 0.00 0.00 179.25 181.14 2k94 h GLU 60 N 0.00 0.48 -1.98 0.00 4.57 -1.67 -0.86 114.58 115.13 2k94 h GLU 60 Ca 0.00 -0.03 -0.73 0.00 -1.18 0.00 0.00 59.36 57.42 2k94 h GLU 60 Cb 0.07 -0.11 -0.31 0.00 -0.16 0.00 0.00 28.75 28.24 2k94 h GLU 60 CO 0.00 0.32 0.59 1.63 -1.18 0.00 0.00 179.01 180.37 2k94 n LYS 61 N -4.97 3.48 -2.87 1.92 5.02 -0.84 -4.62 118.16 115.28 2k94 n LYS 61 Ca 0.19 -4.05 -0.12 0.00 -2.02 0.00 0.00 58.31 52.30 2k94 n LYS 61 Cb 0.52 -2.31 0.03 0.00 -0.02 0.00 0.00 35.03 33.25 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k94 n ILE 62 N -0.41 0.31 -0.09 -0.18 5.41 -0.33 -3.68 119.36 120.39 2k94 n ILE 62 Ca 0.48 -3.25 0.00 0.00 1.00 0.00 0.00 62.75 60.98 2k94 n ILE 62 Cb 0.33 0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.73 2k94 n ILE 62 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k94 n THR 63 N 0.05 0.97 -1.48 1.39 5.66 -1.26 -4.95 114.28 114.66 2k94 n THR 63 Ca 0.13 -0.98 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 2k94 n THR 63 Cb 0.75 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 2k94 n THR 63 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k94 n THR 64 N -0.50 0.00 0.00 1.09 -2.24 -1.26 0.12 114.28 111.49 2k94 n THR 64 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k94 n THR 64 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2k94 n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2k94 n VAL 65 N 0.00 0.00 -0.33 2.28 0.31 -1.26 -4.17 118.33 115.16 2k94 n VAL 65 Ca 0.00 0.41 0.10 0.00 -0.01 0.00 0.00 64.34 64.84 2k94 n VAL 65 Cb 0.00 -1.35 0.22 0.00 -0.91 0.00 0.00 33.84 31.80 2k94 n VAL 65 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2k94 h GLN 66 N 0.00 0.02 -0.78 5.55 4.15 -1.72 0.17 115.11 122.50 2k94 h GLN 66 Ca 0.00 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 2k94 h GLN 66 Cb 0.00 -0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.58 2k94 h GLN 66 CO 0.00 0.01 -0.57 0.00 -1.93 0.00 0.00 178.83 176.35 2k94 h ALA 67 N 1.94 -0.60 -0.22 3.38 0.00 -1.79 0.20 119.26 122.17 2k94 h ALA 67 Ca 0.53 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.58 2k94 h ALA 67 Cb 1.00 1.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.99 2k94 h ALA 67 CO -0.92 -0.98 -0.17 0.00 0.00 0.00 0.00 179.25 177.18 2k94 h ALA 68 N 0.35 -0.02 -0.90 0.00 0.00 -0.74 -0.16 119.26 117.79 2k94 h ALA 68 Ca 0.14 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.35 2k94 h ALA 68 Cb 0.49 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 2k94 h ALA 68 CO -0.81 -0.59 0.39 0.82 0.00 0.00 0.00 179.25 179.06 2k94 h ILE 69 N -0.17 0.46 -0.54 0.00 2.04 -0.29 0.65 117.51 119.65 2k94 h ILE 69 Ca 0.13 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2k94 h ILE 69 Cb 0.37 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2k94 h ILE 69 CO -0.33 0.07 0.12 -0.78 0.00 0.00 0.00 178.15 177.23 2k94 h ASP 70 N 0.39 0.83 -0.18 1.72 1.82 1.00 1.40 116.42 123.40 2k94 h ASP 70 Ca 0.57 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 2k94 h ASP 70 Cb 1.09 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 2k94 h ASP 70 CO -0.54 0.86 0.01 0.22 -1.61 0.00 0.00 179.24 178.18 2k94 h TYR 71 N 0.77 0.33 0.00 0.28 3.20 1.00 -2.59 116.97 119.96 2k94 h TYR 71 Ca 0.17 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2k94 h TYR 71 Cb 0.36 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2k94 h TYR 71 CO 0.02 0.49 0.00 0.82 -1.64 0.00 0.00 178.16 177.86 2k94 h ILE 72 N 0.07 0.00 0.19 1.81 1.08 0.19 -2.94 117.51 117.92 2k94 h ILE 72 Ca 0.05 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2k94 h ILE 72 Cb 0.35 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2k94 h ILE 72 CO 0.01 0.00 -0.19 -1.13 -0.69 0.00 0.00 178.15 176.15 2k94 h ASN 73 N 0.00 -0.51 0.00 1.72 -0.73 0.23 -3.44 115.58 112.85 2k94 h ASN 73 Ca 0.00 0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 2k94 h ASN 73 Cb 0.66 0.17 -0.05 0.00 0.27 0.00 0.00 38.32 39.38 2k94 h ASN 73 CO 0.00 -0.25 -0.11 0.61 -0.37 0.00 0.00 177.43 177.31 2k94 n GLY 74 N -1.21 -0.04 0.23 1.57 0.00 -1.22 -4.97 105.19 99.54 2k94 n GLY 74 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2k94 n GLY 74 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k94 h HIS 75 N 0.00 -0.52 -0.09 1.61 2.76 -1.61 -3.41 115.15 113.90 2k94 h HIS 75 Ca -0.21 -0.01 -0.46 0.00 -2.20 0.00 0.00 60.37 57.49 2k94 h HIS 75 Cb 0.82 0.17 -0.09 0.00 1.55 0.00 0.00 27.41 29.87 2k94 h HIS 75 CO -0.08 -0.32 1.79 1.04 -1.30 0.00 0.00 177.93 179.05 2k94 n GLN 76 N -3.95 0.06 0.00 5.26 1.13 -1.26 -5.14 117.38 113.48 2k94 n GLN 76 Ca -0.07 -0.01 0.15 0.00 -1.94 0.00 0.00 57.00 55.12 2k94 n GLN 76 Cb 0.22 -1.53 0.65 0.00 0.11 0.00 0.00 30.24 29.70 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62