#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k93 s THR 2 N 0.00 1.94 0.00 0.44 -4.23 -1.26 -4.73 115.64 107.80 2k93 s THR 2 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k93 s THR 2 Cb 0.00 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2k93 s THR 2 CO 0.00 0.00 0.90 -0.38 -0.54 0.00 0.00 174.62 174.60 2k93 n ILE 3 N -4.22 0.00 -0.35 2.99 2.08 -1.26 -0.62 119.36 117.98 2k93 n ILE 3 Ca 0.07 1.40 0.13 0.00 0.56 0.00 0.00 62.75 64.90 2k93 n ILE 3 Cb 0.58 -2.19 0.32 0.00 -0.75 0.00 0.00 39.64 37.60 2k93 n ILE 3 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2k93 h GLU 4 N 0.00 0.74 -0.75 0.38 4.22 -1.93 0.16 114.58 117.40 2k93 h GLU 4 Ca 0.00 -0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.55 2k93 h GLU 4 Cb 0.00 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 28.98 2k93 h GLU 4 CO 0.00 0.49 0.27 1.49 -2.18 0.00 0.00 179.01 179.08 2k93 h GLU 5 N 0.76 0.38 -0.01 1.92 4.81 -1.76 0.37 114.58 121.06 2k93 h GLU 5 Ca 0.58 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.56 2k93 h GLU 5 Cb 0.89 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2k93 h GLU 5 CO -0.38 0.25 -0.91 0.00 -0.73 0.00 0.00 179.01 177.24 2k93 h ARG 6 N 0.40 0.41 0.71 1.92 3.08 0.17 -3.01 114.38 118.05 2k93 h ARG 6 Ca 0.42 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2k93 h ARG 6 Cb 0.67 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 2k93 h ARG 6 CO -0.43 1.09 -0.41 0.28 -1.07 0.00 0.00 179.97 179.42 2k93 h VAL 7 N 0.24 0.00 -1.05 2.04 2.07 0.11 0.14 116.25 119.79 2k93 h VAL 7 Ca -0.07 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.73 2k93 h VAL 7 Cb 1.54 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 2k93 h VAL 7 CO 0.16 0.00 0.65 0.11 0.02 0.00 0.00 177.57 178.51 2k93 h LYS 8 N -1.05 0.40 0.51 1.57 1.57 -0.47 0.38 116.57 119.49 2k93 h LYS 8 Ca -0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2k93 h LYS 8 Cb 0.83 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.05 2k93 h LYS 8 CO 0.11 0.27 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.79 2k93 h LYS 9 N 0.41 -0.66 -0.67 3.15 1.63 -1.23 0.38 116.57 119.58 2k93 h LYS 9 Ca 0.65 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.64 2k93 h LYS 9 Cb 1.55 0.15 -0.12 0.00 -0.60 0.00 0.00 32.23 33.21 2k93 h LYS 9 CO -0.41 -0.44 -0.07 0.82 -3.45 0.00 0.00 179.45 175.90 2k93 h ILE 10 N -0.74 0.39 -0.71 2.00 1.08 0.73 0.50 117.51 120.76 2k93 h ILE 10 Ca -0.07 -0.02 0.07 0.00 -0.39 0.00 0.00 64.86 64.44 2k93 h ILE 10 Cb 0.53 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 34.54 2k93 h ILE 10 CO 0.12 0.01 0.40 0.40 -0.69 0.00 0.00 178.15 178.39 2k93 h ILE 11 N 0.06 0.96 -0.70 -0.67 5.03 -0.21 0.12 117.51 122.10 2k93 h ILE 11 Ca 0.34 -0.25 0.19 0.00 -0.12 0.00 0.00 64.86 65.03 2k93 h ILE 11 Cb 0.56 0.17 -0.03 0.00 -3.03 0.00 0.00 36.82 34.49 2k93 h ILE 11 CO -0.63 0.13 0.50 1.23 -0.68 0.00 0.00 178.15 178.70 2k93 h GLY 12 N 0.73 0.12 0.10 5.37 0.00 0.43 -1.64 103.07 108.19 2k93 h GLY 12 Ca 0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.52 2k93 h GLY 12 CO -0.19 0.00 -0.58 -1.61 0.00 0.00 0.00 176.54 174.16 2k93 h GLN 13 N 0.06 0.05 -1.76 4.80 4.15 -0.14 -0.74 115.11 121.53 2k93 h GLN 13 Ca 0.34 -0.08 0.51 0.00 0.77 0.00 0.00 58.65 60.19 2k93 h GLN 13 Cb 1.25 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.90 2k93 h GLN 13 CO -0.02 1.04 1.37 1.96 -1.93 0.00 0.00 178.83 181.24 2k93 h GLN 14 N -0.89 0.00 0.00 1.69 4.20 0.02 -3.34 115.11 116.80 2k93 h GLN 14 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2k93 h GLN 14 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2k93 h GLN 14 CO -0.05 0.00 0.00 1.47 -0.67 0.00 0.00 178.83 179.58 2k93 n LEU 15 N -3.80 0.00 0.00 1.46 -0.00 -1.03 -4.26 117.00 109.38 2k93 n LEU 15 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k93 n LEU 15 Cb 1.89 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 45.31 2k93 n LEU 15 CO 0.40 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.40 2k93 n GLY 16 N 3.63 0.00 3.64 1.47 0.00 -0.30 -5.06 105.19 108.58 2k93 n GLY 16 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k93 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k93 s VAL 17 N 0.00 2.09 0.00 1.61 1.01 -1.14 -5.05 120.40 118.92 2k93 s VAL 17 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.02 2k93 s VAL 17 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2k93 s VAL 17 CO 0.00 -0.02 0.00 1.17 0.00 0.00 0.00 175.10 176.25 2k93 n LYS 18 N -1.01 3.49 -0.09 2.72 4.81 -1.26 -4.50 118.16 122.32 2k93 n LYS 18 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.23 2k93 n LYS 18 Cb 0.66 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.64 2k93 n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k93 n GLN 19 N 0.00 0.40 0.26 1.64 3.00 -1.26 -3.89 117.38 117.53 2k93 n GLN 19 Ca 0.00 0.14 0.12 0.00 -0.01 0.00 0.00 57.00 57.25 2k93 n GLN 19 Cb 0.00 -1.22 0.71 0.00 0.00 0.00 0.00 30.24 29.72 2k93 n GLN 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2k93 h GLU 20 N -0.40 0.00 0.00 -1.09 4.81 -1.97 0.23 114.58 116.15 2k93 h GLU 20 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2k93 h GLU 20 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2k93 h GLU 20 CO -0.20 0.12 -0.70 0.39 -0.73 0.00 0.00 179.01 177.90 2k93 n GLU 21 N -3.71 0.23 -1.49 1.92 4.71 -1.26 -3.89 120.64 117.14 2k93 n GLU 21 Ca -0.02 0.05 -0.06 0.00 -0.01 0.00 0.00 57.16 57.12 2k93 n GLU 21 Cb 0.23 -1.62 0.10 0.00 -1.01 0.00 0.00 31.44 29.14 2k93 n GLU 21 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2k93 n VAL 22 N -1.94 1.95 -1.00 2.62 3.14 -0.25 -4.92 118.33 117.92 2k93 n VAL 22 Ca 0.03 -3.29 -0.33 0.00 -2.96 0.00 0.00 64.34 57.79 2k93 n VAL 22 Cb 0.42 -0.24 0.02 0.00 -1.06 0.00 0.00 33.84 32.98 2k93 n VAL 22 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2k93 n THR 23 N -0.71 0.00 -1.61 1.55 -2.24 0.65 -4.53 114.28 107.39 2k93 n THR 23 Ca 0.25 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 2k93 n THR 23 Cb 0.86 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 2k93 n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k93 n ASN 24 N 2.56 2.19 0.00 3.42 6.94 -1.26 -1.31 115.26 127.80 2k93 n ASN 24 Ca 0.03 -2.60 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 2k93 n ASN 24 Cb 0.45 -1.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 2k93 n ASN 24 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k93 n ASN 25 N 14.85 0.00 -3.64 0.53 5.15 -1.26 -4.36 115.26 126.53 2k93 n ASN 25 Ca 0.44 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 54.01 2k93 n ASN 25 Cb 0.45 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.67 2k93 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k93 n ALA 26 N 0.00 -2.66 -1.16 5.20 0.00 -0.43 -4.36 120.51 117.10 2k93 n ALA 26 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 2k93 n ALA 26 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2k93 n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k93 n SER 27 N 1.57 0.00 0.07 0.00 7.64 -1.26 -1.86 113.62 119.78 2k93 n SER 27 Ca 0.15 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 59.03 2k93 n SER 27 Cb 0.18 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2k93 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k93 n PHE 28 N -1.94 -0.70 0.26 1.43 3.01 -0.63 -3.84 117.46 115.05 2k93 n PHE 28 Ca 0.00 0.12 0.16 0.00 1.01 0.00 0.00 57.45 58.74 2k93 n PHE 28 Cb 0.01 0.17 0.57 0.00 -0.01 0.00 0.00 39.48 40.21 2k93 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k93 h VAL 29 N 0.00 0.03 0.00 -4.37 2.07 -1.86 1.91 116.25 114.04 2k93 h VAL 29 Ca 0.00 -0.65 -0.19 0.00 0.82 0.00 0.00 66.70 66.67 2k93 h VAL 29 Cb 0.05 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2k93 h VAL 29 CO 0.00 0.01 -1.95 -0.62 0.02 0.00 0.00 177.57 175.04 2k93 n GLU 30 N -3.11 1.22 -0.02 1.57 1.02 -1.26 -3.71 120.64 116.35 2k93 n GLU 30 Ca 0.01 -0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 2k93 n GLU 30 Cb 0.36 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2k93 n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k93 n ASP 31 N -2.41 0.50 -1.50 1.62 -0.08 -1.16 -4.46 116.55 109.06 2k93 n ASP 31 Ca -0.18 0.21 -0.05 0.00 -1.51 0.00 0.00 54.79 53.26 2k93 n ASP 31 Cb 0.82 -0.58 0.17 0.00 2.34 0.00 0.00 41.12 43.87 2k93 n ASP 31 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k93 n LEU 32 N -2.96 4.42 -2.23 -2.67 7.99 0.23 -4.85 117.00 116.92 2k93 n LEU 32 Ca -0.03 -2.29 0.00 0.00 -0.01 0.00 0.00 56.01 53.68 2k93 n LEU 32 Cb 0.11 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 42.77 2k93 n LEU 32 CO 0.04 0.64 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 2k93 n GLY 33 N -0.03 -0.43 3.13 -0.72 0.00 0.49 -1.93 105.19 105.69 2k93 n GLY 33 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2k93 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k93 n ALA 34 N -2.18 -2.56 -2.72 4.61 0.00 0.53 -4.76 120.51 113.44 2k93 n ALA 34 Ca 0.00 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 2k93 n ALA 34 Cb 0.43 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 2k93 n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k93 s ASP 35 N -1.54 6.47 0.27 0.00 1.01 -0.81 -4.95 116.67 117.12 2k93 s ASP 35 Ca 0.15 0.55 -0.03 0.00 0.71 0.00 0.00 52.55 53.93 2k93 s ASP 35 Cb -0.02 -2.18 0.58 0.00 1.01 0.00 0.00 42.92 42.30 2k93 s ASP 35 CO 0.55 0.14 1.62 0.28 0.21 0.00 0.00 175.17 177.97 2k93 h SER 36 N 6.40 -0.30 -0.79 0.27 0.02 -1.92 1.60 113.55 118.83 2k93 h SER 36 Ca -0.43 0.22 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2k93 h SER 36 Cb 1.17 0.36 -0.05 0.00 0.14 0.00 0.00 62.40 64.02 2k93 h SER 36 CO 0.73 -0.21 0.52 0.17 -1.14 0.00 0.00 176.83 176.90 2k93 h LEU 37 N 0.11 0.76 0.08 5.07 -0.00 -1.93 1.32 115.31 120.72 2k93 h LEU 37 Ca 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.37 2k93 h LEU 37 Cb 0.93 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2k93 h LEU 37 CO -0.72 0.50 -0.04 0.44 -0.00 0.00 0.00 178.44 178.61 2k93 h ASP 38 N 0.87 -0.09 0.15 0.17 3.32 0.19 1.28 116.42 122.30 2k93 h ASP 38 Ca 0.34 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2k93 h ASP 38 Cb 0.22 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k93 h ASP 38 CO -0.12 0.40 -0.14 0.74 -1.72 0.00 0.00 179.24 178.40 2k93 h THR 39 N -0.62 1.08 0.13 0.35 2.02 0.48 0.48 112.91 116.83 2k93 h THR 39 Ca -0.01 -0.49 -0.22 0.00 0.77 0.00 0.00 66.41 66.47 2k93 h THR 39 Cb 0.51 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2k93 h THR 39 CO 0.02 0.14 -1.02 0.58 0.37 0.00 0.00 175.52 175.61 2k93 h VAL 40 N 0.00 1.35 0.00 3.16 2.07 0.18 -3.18 116.25 119.82 2k93 h VAL 40 Ca -0.00 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2k93 h VAL 40 Cb 0.25 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2k93 h VAL 40 CO 0.02 0.71 -0.03 -0.33 0.02 0.00 0.00 177.57 177.96 2k93 h GLU 41 N -0.36 0.00 0.00 1.57 4.39 0.21 0.70 114.58 121.09 2k93 h GLU 41 Ca -0.20 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.32 2k93 h GLU 41 Cb 1.68 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 2k93 h GLU 41 CO 0.12 0.03 -0.83 1.25 -1.16 0.00 0.00 179.01 178.41 2k93 h LEU 42 N 0.00 0.10 -0.07 1.33 5.85 -0.96 1.07 115.31 122.63 2k93 h LEU 42 Ca -0.00 -0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2k93 h LEU 42 Cb 0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2k93 h LEU 42 CO 0.00 0.88 -0.64 0.58 -0.34 0.00 0.00 178.44 178.92 2k93 h VAL 43 N 0.04 1.13 0.11 1.05 2.07 -0.91 -2.75 116.25 117.00 2k93 h VAL 43 Ca -0.02 -2.53 -0.36 0.00 0.82 0.00 0.00 66.70 64.61 2k93 h VAL 43 Cb 1.45 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 33.72 2k93 h VAL 43 CO 0.12 0.63 -1.97 0.23 0.02 0.00 0.00 177.57 176.60 2k93 n MET 44 N -3.29 0.74 -0.08 1.57 2.81 -0.39 -2.91 117.12 115.58 2k93 n MET 44 Ca 0.01 0.28 -0.08 0.00 -1.81 0.00 0.00 57.70 56.10 2k93 n MET 44 Cb 0.78 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 2k93 n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k93 h ALA 45 N 0.02 0.35 0.00 3.04 0.00 0.11 0.94 119.26 123.72 2k93 h ALA 45 Ca -0.43 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2k93 h ALA 45 Cb 1.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2k93 h ALA 45 CO 0.05 -0.25 -0.42 -0.07 0.00 0.00 0.00 179.25 178.57 2k93 h LEU 46 N 0.30 0.00 -0.12 0.00 3.38 -1.66 -0.03 115.31 117.18 2k93 h LEU 46 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2k93 h LEU 46 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k93 h LEU 46 CO -0.08 0.42 -0.25 -0.33 0.09 0.00 0.00 178.44 178.29 2k93 h GLU 47 N 0.00 0.38 0.00 1.13 5.08 -1.07 -1.03 114.58 119.07 2k93 h GLU 47 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2k93 h GLU 47 Cb 0.76 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k93 h GLU 47 CO 0.05 0.85 0.00 -1.91 -1.00 0.00 0.00 179.01 177.00 2k93 n GLU 48 N -4.46 0.15 0.00 2.33 0.00 0.31 0.14 120.64 119.11 2k93 n GLU 48 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.36 2k93 n GLU 48 Cb 0.44 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.15 2k93 n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k93 n GLU 49 N -2.01 0.00 -0.80 5.31 2.13 -0.04 -4.74 120.64 120.49 2k93 n GLU 49 Ca 0.04 0.33 0.05 0.00 0.66 0.00 0.00 57.16 58.25 2k93 n GLU 49 Cb 0.30 -0.82 0.12 0.00 0.27 0.00 0.00 31.44 31.31 2k93 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k93 n PHE 50 N -1.98 0.00 -3.91 4.31 3.72 -0.43 -5.01 117.46 114.15 2k93 n PHE 50 Ca 0.00 -0.96 -0.35 0.00 -0.05 0.00 0.00 57.45 56.08 2k93 n PHE 50 Cb 0.00 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 38.37 2k93 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k93 n ASP 51 N -0.54 -3.96 -0.00 4.37 2.03 0.12 -4.84 116.55 113.73 2k93 n ASP 51 Ca 0.13 -1.08 0.05 0.00 0.52 0.00 0.00 54.79 54.41 2k93 n ASP 51 Cb 0.83 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.72 2k93 n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2k93 n THR 52 N -3.82 0.00 -3.13 5.18 5.66 -1.13 -4.94 114.28 112.10 2k93 n THR 52 Ca -0.18 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2k93 n THR 52 Cb 0.56 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2k93 n THR 52 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k93 n GLU 53 N -1.58 -0.45 -2.18 1.09 0.28 -1.26 -4.79 120.64 111.75 2k93 n GLU 53 Ca -0.00 0.84 -0.42 0.00 -0.16 0.00 0.00 57.16 57.43 2k93 n GLU 53 Cb 0.22 -0.93 -0.03 0.00 1.43 0.00 0.00 31.44 32.13 2k93 n GLU 53 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2k93 s ILE 54 N -0.79 3.17 0.00 3.84 -1.16 -1.26 -5.02 121.20 119.98 2k93 s ILE 54 Ca 0.00 0.92 0.00 0.00 -0.51 0.00 0.00 60.65 61.06 2k93 s ILE 54 Cb 0.00 -3.59 0.00 0.00 0.61 0.00 0.00 42.46 39.48 2k93 s ILE 54 CO 0.00 0.12 0.00 -0.81 -2.81 0.00 0.00 174.94 171.44 2k93 n PRO 55 N 2.99 0.55 -0.00 3.50 -0.04 -1.26 -4.66 135.00 136.07 2k93 n PRO 55 Ca 0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 2k93 n PRO 55 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 2k93 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k93 n ASP 56 N -0.90 0.54 -0.05 3.54 -0.08 -1.26 -3.87 116.55 114.47 2k93 n ASP 56 Ca 0.00 -0.49 -0.01 0.00 -1.51 0.00 0.00 54.79 52.78 2k93 n ASP 56 Cb 0.00 1.50 -0.00 0.00 2.34 0.00 0.00 41.12 44.95 2k93 n ASP 56 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k93 h GLU 57 N 0.00 0.00 0.00 -0.67 3.07 -2.02 -3.33 114.58 111.63 2k93 h GLU 57 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k93 h GLU 57 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2k93 h GLU 57 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 2k93 n GLU 58 N -4.18 0.14 0.00 2.33 1.02 -1.26 -1.54 120.64 117.16 2k93 n GLU 58 Ca -0.02 0.64 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2k93 n GLU 58 Cb 0.08 -1.97 -0.08 0.00 -0.02 0.00 0.00 31.44 29.45 2k93 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k93 h ALA 59 N 2.00 0.03 -0.81 0.62 0.00 -1.68 -1.87 119.26 117.56 2k93 h ALA 59 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2k93 h ALA 59 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 2k93 h ALA 59 CO 0.00 -0.34 0.43 1.49 0.00 0.00 0.00 179.25 180.83 2k93 h GLU 60 N -0.21 0.66 0.00 0.00 4.81 -1.39 1.08 114.58 119.53 2k93 h GLU 60 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k93 h GLU 60 Cb 0.26 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2k93 h GLU 60 CO 0.00 0.44 0.00 0.36 -0.73 0.00 0.00 179.01 179.08 2k93 n LYS 61 N -4.82 0.83 -1.20 1.92 2.85 -1.10 -2.41 118.16 114.23 2k93 n LYS 61 Ca 0.14 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.43 2k93 n LYS 61 Cb 0.34 -1.43 0.11 0.00 -0.65 0.00 0.00 35.03 33.40 2k93 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2k93 n ILE 62 N -0.93 1.27 0.50 0.58 5.41 0.36 -4.82 119.36 121.72 2k93 n ILE 62 Ca 0.17 -2.37 -0.03 0.00 1.00 0.00 0.00 62.75 61.52 2k93 n ILE 62 Cb 0.08 0.30 0.02 0.00 -0.71 0.00 0.00 39.64 39.33 2k93 n ILE 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k93 n THR 63 N -0.40 1.42 -4.27 1.39 -2.24 -0.29 -4.77 114.28 105.13 2k93 n THR 63 Ca 0.15 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 2k93 n THR 63 Cb 0.90 -1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 2k93 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2k93 s THR 64 N -0.41 0.17 -0.08 4.28 -4.23 -1.26 -1.61 115.64 112.51 2k93 s THR 64 Ca 0.07 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2k93 s THR 64 Cb 0.06 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 2k93 s THR 64 CO 0.01 0.00 -0.02 0.58 -0.54 0.00 0.00 174.62 174.65 2k93 h VAL 65 N 2.38 0.00 0.00 2.29 2.07 -1.57 -3.29 116.25 118.13 2k93 h VAL 65 Ca -0.34 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2k93 h VAL 65 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k93 h VAL 65 CO 0.51 0.00 0.37 -0.61 0.02 0.00 0.00 177.57 177.85 2k93 h GLN 66 N -0.73 0.00 -0.05 1.57 5.75 -1.84 0.97 115.11 120.78 2k93 h GLN 66 Ca 0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 2k93 h GLN 66 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2k93 h GLN 66 CO 0.00 0.00 -0.49 0.00 -2.65 0.00 0.00 178.83 175.69 2k93 h ALA 67 N 1.26 1.08 -0.07 3.38 0.00 -1.91 0.48 119.26 123.49 2k93 h ALA 67 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k93 h ALA 67 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k93 h ALA 67 CO 0.00 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2k93 n ALA 68 N -2.46 2.58 -0.03 0.00 0.00 0.33 -2.29 120.51 118.65 2k93 n ALA 68 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 2k93 n ALA 68 Cb 0.52 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 2k93 n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k93 n ILE 69 N -0.14 0.39 0.05 0.00 -0.00 -0.64 -3.86 119.36 115.15 2k93 n ILE 69 Ca 0.18 -0.35 -0.15 0.00 -0.00 0.00 0.00 62.75 62.43 2k93 n ILE 69 Cb 0.25 -0.32 -0.14 0.00 -0.00 0.00 0.00 39.64 39.43 2k93 n ILE 69 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2k93 h ASP 70 N 0.00 0.31 0.37 4.38 3.58 -0.94 -2.28 116.42 121.84 2k93 h ASP 70 Ca -0.15 -0.46 -0.24 0.00 0.42 0.00 0.00 57.03 56.60 2k93 h ASP 70 Cb 1.13 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2k93 h ASP 70 CO 0.01 1.39 -1.00 0.22 -2.88 0.00 0.00 179.24 176.98 2k93 h TYR 71 N 0.05 0.61 -0.00 0.28 5.03 -1.69 -3.23 116.97 118.02 2k93 h TYR 71 Ca -0.25 -0.35 -0.21 0.00 2.58 0.00 0.00 58.73 60.50 2k93 h TYR 71 Cb 2.00 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 40.21 2k93 h TYR 71 CO 0.05 1.19 -0.89 0.82 -1.32 0.00 0.00 178.16 178.00 2k93 h ILE 72 N 0.21 1.44 -0.64 1.81 1.08 -1.69 -3.01 117.51 116.72 2k93 h ILE 72 Ca -0.09 -2.50 0.18 0.00 -0.39 0.00 0.00 64.86 62.07 2k93 h ILE 72 Cb 1.65 2.41 -0.03 0.00 -3.07 0.00 0.00 36.82 37.79 2k93 h ILE 72 CO 0.17 0.74 0.58 -1.13 -0.69 0.00 0.00 178.15 177.82 2k93 h ASN 73 N 0.18 0.00 0.00 1.72 -0.73 -1.42 0.52 115.58 115.85 2k93 h ASN 73 Ca -0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.11 2k93 h ASN 73 Cb 1.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.11 2k93 h ASN 73 CO 0.15 0.00 0.26 1.23 -0.37 0.00 0.00 177.43 178.69 2k93 h GLY 74 N 0.00 0.00 0.72 1.57 0.00 -1.60 -1.76 103.07 102.00 2k93 h GLY 74 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2k93 h GLY 74 CO -0.00 0.00 -0.43 0.84 0.00 0.00 0.00 176.54 176.95 2k93 h HIS 75 N 0.00 -1.15 -4.04 5.60 -0.00 -0.17 -3.42 115.15 111.98 2k93 h HIS 75 Ca 0.00 -0.00 -0.50 0.00 -0.00 0.00 0.00 60.37 59.87 2k93 h HIS 75 Cb 0.52 0.42 0.06 0.00 -0.00 0.00 0.00 27.41 28.41 2k93 h HIS 75 CO 0.00 -0.62 0.45 1.14 -0.00 0.00 0.00 177.93 178.91 2k93 s GLN 76 N -5.97 3.62 0.00 5.26 -2.07 -0.66 -5.21 119.66 114.63 2k93 s GLN 76 Ca -0.18 1.67 0.00 0.00 -1.82 0.00 0.00 55.36 55.03 2k93 s GLN 76 Cb 0.04 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.73 2k93 s GLN 76 CO 0.62 -0.64 0.00 0.00 -1.32 0.00 0.00 175.29 173.94