#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 0.55 0.12 0.44 -2.24 -1.26 -4.84 114.28 107.05 2k94 n THR 2 Ca 0.00 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2k94 n THR 2 Cb 0.00 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.32 2k94 n THR 2 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2k94 h ILE 3 N -1.43 0.36 -0.80 2.28 -0.00 -1.92 -0.69 117.51 115.32 2k94 h ILE 3 Ca -0.44 0.00 0.17 0.00 -0.00 0.00 0.00 64.86 64.59 2k94 h ILE 3 Cb 1.29 0.36 -0.05 0.00 -0.00 0.00 0.00 36.82 38.41 2k94 h ILE 3 CO 0.39 0.00 0.53 1.05 -0.00 0.00 0.00 178.15 180.12 2k94 h GLU 4 N -0.52 0.40 -0.69 2.19 4.11 -1.91 -0.31 114.58 117.85 2k94 h GLU 4 Ca 0.03 -0.02 0.15 0.00 0.07 0.00 0.00 59.36 59.58 2k94 h GLU 4 Cb 0.55 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 2k94 h GLU 4 CO -0.17 0.26 0.09 1.49 0.07 0.00 0.00 179.01 180.76 2k94 h GLU 5 N 0.41 0.19 0.06 1.06 4.22 -1.44 1.36 114.58 120.43 2k94 h GLU 5 Ca 0.40 -0.01 -0.26 0.00 0.08 0.00 0.00 59.36 59.57 2k94 h GLU 5 Cb 0.95 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k94 h GLU 5 CO -0.13 0.12 -1.04 0.00 -2.18 0.00 0.00 179.01 175.78 2k94 h ARG 6 N 0.19 0.60 -0.50 1.92 3.08 -1.02 -3.18 114.38 115.47 2k94 h ARG 6 Ca 0.38 -0.73 0.01 0.00 0.07 0.00 0.00 59.98 59.71 2k94 h ARG 6 Cb 0.63 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2k94 h ARG 6 CO -0.53 1.31 0.33 0.28 -1.07 0.00 0.00 179.97 180.30 2k94 h VAL 7 N 0.21 1.13 0.16 2.04 2.07 -0.18 -2.45 116.25 119.23 2k94 h VAL 7 Ca -0.15 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2k94 h VAL 7 Cb 1.73 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2k94 h VAL 7 CO 0.20 0.12 -0.08 0.11 0.02 0.00 0.00 177.57 177.95 2k94 h LYS 8 N 0.68 -0.21 0.00 1.57 6.56 0.17 -0.43 116.57 124.91 2k94 h LYS 8 Ca 0.18 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 2k94 h LYS 8 Cb -0.08 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2k94 h LYS 8 CO -0.04 -0.11 0.00 1.17 -2.06 0.00 0.00 179.45 178.41 2k94 n LYS 9 N -5.17 0.00 -0.15 3.15 0.00 -0.93 0.02 118.16 115.09 2k94 n LYS 9 Ca -0.09 0.70 -0.05 0.00 0.00 0.00 0.00 58.31 58.87 2k94 n LYS 9 Cb 0.13 -1.21 0.02 0.00 0.00 0.00 0.00 35.03 33.97 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2k94 h ILE 10 N 0.00 0.35 0.00 3.15 2.04 -1.61 0.10 117.51 121.54 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 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 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 -5.40 0.00 -0.36 -0.67 2.08 -0.17 0.16 119.36 114.99 2k94 n ILE 11 Ca 0.03 1.03 0.27 0.00 0.56 0.00 0.00 62.75 64.64 2k94 n ILE 11 Cb 0.31 -1.59 0.53 0.00 -0.75 0.00 0.00 39.64 38.14 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 1.72 0.56 7.39 0.00 -0.26 -0.67 103.07 111.82 2k94 h GLY 12 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2k94 h GLY 12 CO 0.00 -0.41 -0.28 1.46 0.00 0.00 0.00 176.54 177.31 2k94 h GLN 13 N 0.27 -0.74 -0.94 4.80 7.50 0.16 0.69 115.11 126.85 2k94 h GLN 13 Ca 0.73 0.05 0.39 0.00 0.50 0.00 0.00 58.65 60.32 2k94 h GLN 13 Cb 1.89 0.17 -0.16 0.00 0.05 0.00 0.00 27.48 29.43 2k94 h GLN 13 CO -0.50 -0.49 0.51 1.04 -1.50 0.00 0.00 178.83 177.89 2k94 n GLN 14 N -4.08 -0.05 -0.03 1.46 6.02 0.42 0.12 117.38 121.23 2k94 n GLN 14 Ca -0.09 1.27 -0.15 0.00 -0.01 0.00 0.00 57.00 58.01 2k94 n GLN 14 Cb 0.30 -2.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.16 2k94 n GLN 14 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2k94 h LEU 15 N 0.00 0.14 0.00 1.08 7.12 -1.04 -3.44 115.31 119.17 2k94 h LEU 15 Ca 0.78 -0.80 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2k94 h LEU 15 Cb 2.10 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.18 2k94 h LEU 15 CO -0.70 0.93 0.00 0.61 -0.13 0.00 0.00 178.44 179.15 2k94 n GLY 16 N 1.11 1.30 3.00 3.75 0.00 0.33 -5.11 105.19 109.57 2k94 n GLY 16 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.05 0.82 1.61 -7.23 0.84 -4.98 120.40 109.50 2k94 s VAL 17 Ca 0.00 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 2k94 s VAL 17 Cb 0.00 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.72 2k94 s VAL 17 CO 0.00 -0.22 0.66 2.29 -0.31 0.00 0.00 175.10 177.52 2k94 n LYS 18 N 2.27 0.09 0.03 4.82 0.00 -1.26 -3.33 118.16 120.77 2k94 n LYS 18 Ca -0.18 0.08 0.22 0.00 -0.00 0.00 0.00 58.31 58.43 2k94 n LYS 18 Cb 0.57 -1.99 0.73 0.00 -0.00 0.00 0.00 35.03 34.34 2k94 n LYS 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2k94 h GLN 19 N -0.88 0.00 -0.02 -1.58 -0.00 -1.86 0.02 115.11 110.79 2k94 h GLN 19 Ca -0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2k94 h GLN 19 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2k94 h GLN 19 CO 0.41 0.00 0.01 1.49 -0.00 0.00 0.00 178.83 180.74 2k94 h GLU 20 N 0.00 0.03 -1.00 0.06 4.57 -1.95 -2.30 114.58 113.98 2k94 h GLU 20 Ca 0.25 -0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.68 2k94 h GLU 20 Cb 1.18 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.63 2k94 h GLU 20 CO -0.00 0.06 0.59 1.49 -1.18 0.00 0.00 179.01 179.97 2k94 h GLU 21 N -0.01 0.53 -6.27 1.92 4.22 -1.29 -3.38 114.58 110.30 2k94 h GLU 21 Ca 0.01 -0.03 -0.55 0.00 0.08 0.00 0.00 59.36 58.86 2k94 h GLU 21 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k94 h GLU 21 CO -0.00 0.35 0.93 0.08 -2.18 0.00 0.00 179.01 178.19 2k94 s VAL 22 N -5.76 3.83 0.57 0.32 1.01 -0.87 -5.01 120.40 114.50 2k94 s VAL 22 Ca -0.11 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2k94 s VAL 22 Cb 0.28 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 33.02 2k94 s VAL 22 CO 0.80 -0.06 0.55 0.35 0.00 0.00 0.00 175.10 176.74 2k94 n THR 23 N 5.12 0.00 0.44 3.92 -2.24 -1.26 -4.97 114.28 115.29 2k94 n THR 23 Ca 0.15 -2.16 0.09 0.00 -2.27 0.00 0.00 64.05 59.86 2k94 n THR 23 Cb 0.44 -0.17 0.25 0.00 -2.10 0.00 0.00 70.33 68.75 2k94 n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k94 n ASN 24 N -1.98 2.77 -3.20 3.42 4.13 -1.26 -3.38 115.26 115.76 2k94 n ASN 24 Ca 0.04 -1.96 0.00 0.00 1.68 0.00 0.00 54.58 54.35 2k94 n ASN 24 Cb 0.63 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.56 2k94 n ASN 24 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2k94 s ASN 25 N -1.16 -1.26 0.00 6.41 3.84 -1.26 -4.63 114.94 116.87 2k94 s ASN 25 Ca 0.36 -0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.03 2k94 s ASN 25 Cb 0.19 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.74 2k94 s ASN 25 CO 0.26 -0.24 0.00 0.00 -2.79 0.00 0.00 177.10 174.32 2k94 n ALA 26 N 4.89 0.00 -3.69 1.71 0.00 -1.26 -5.09 120.51 117.07 2k94 n ALA 26 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 2k94 n ALA 26 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 2k94 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k94 s SER 27 N -0.93 0.46 -0.00 0.00 0.15 -1.26 -4.68 113.70 107.43 2k94 s SER 27 Ca 0.00 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.05 2k94 s SER 27 Cb 0.00 0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.74 2k94 s SER 27 CO 0.00 -0.22 1.08 0.49 1.20 0.00 0.00 173.24 175.80 2k94 n PHE 28 N 5.01 0.19 -0.13 3.44 3.01 0.72 -1.28 117.46 128.42 2k94 n PHE 28 Ca -0.11 -0.09 -0.27 0.00 1.01 0.00 0.00 57.45 57.99 2k94 n PHE 28 Cb 0.50 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 2k94 n PHE 28 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2k94 n VAL 29 N -0.10 1.53 -0.01 -4.37 0.31 -1.25 -1.34 118.33 113.09 2k94 n VAL 29 Ca 0.04 -0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 64.00 2k94 n VAL 29 Cb 0.12 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.10 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 -4.28 0.18 -0.03 5.55 1.02 -1.24 -3.68 120.64 118.16 2k94 n GLU 30 Ca -0.50 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 56.71 2k94 n GLU 30 Cb 0.84 -0.81 -0.01 0.00 -0.02 0.00 0.00 31.44 31.45 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 -3.67 -0.07 0.08 1.62 -0.08 -0.87 -1.49 116.55 112.06 2k94 n ASP 31 Ca -0.09 0.91 -0.11 0.00 -1.51 0.00 0.00 54.79 53.99 2k94 n ASP 31 Cb 0.32 -0.41 -0.13 0.00 2.34 0.00 0.00 41.12 43.24 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k94 h LEU 32 N 0.00 0.20 -2.87 -2.67 -0.00 -1.47 -3.49 115.31 105.00 2k94 h LEU 32 Ca 0.01 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 2k94 h LEU 32 Cb 0.03 -0.06 0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2k94 h LEU 32 CO -0.06 1.17 -0.09 0.61 -0.00 0.00 0.00 178.44 180.07 2k94 n GLY 33 N 1.45 -0.01 3.37 0.83 0.00 -0.56 -5.00 105.19 105.28 2k94 n GLY 33 Ca -0.05 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.04 3.42 1.02 4.61 0.00 -0.45 -4.98 121.76 122.34 2k94 s ALA 34 Ca 0.05 -2.25 -0.19 0.00 0.00 0.00 0.00 51.96 49.57 2k94 s ALA 34 Cb -0.01 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.61 2k94 s ALA 34 CO 0.16 -2.36 -0.37 -0.40 0.00 0.00 0.00 175.76 172.79 2k94 n ASP 35 N 6.31 -2.68 0.03 0.00 5.75 -1.26 -3.77 116.55 120.94 2k94 n ASP 35 Ca -0.09 -0.15 0.05 0.00 -0.01 0.00 0.00 54.79 54.59 2k94 n ASP 35 Cb 0.42 -0.75 0.25 0.00 -1.03 0.00 0.00 41.12 40.01 2k94 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k94 n SER 36 N 0.22 0.15 0.04 -1.12 3.41 -1.26 -0.38 113.62 114.68 2k94 n SER 36 Ca 0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 2k94 n SER 36 Cb 0.56 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.68 0.60 -0.12 1.04 4.77 -1.26 -3.57 117.00 116.77 2k94 n LEU 37 Ca 0.01 0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2k94 n LEU 37 Cb 0.10 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 2k94 n LEU 37 CO 0.09 -0.01 -1.30 -0.67 -1.33 0.00 0.00 177.39 174.16 2k94 n ASP 38 N -2.14 2.09 -0.19 -1.43 -0.08 0.16 -3.96 116.55 111.00 2k94 n ASP 38 Ca 0.01 -0.07 -0.01 0.00 -1.51 0.00 0.00 54.79 53.21 2k94 n ASP 38 Cb 0.47 -0.43 0.22 0.00 2.34 0.00 0.00 41.12 43.73 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 -0.11 1.20 0.00 5.18 2.02 -0.80 -1.79 112.91 118.60 2k94 h THR 39 Ca -0.55 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2k94 h THR 39 Cb 1.80 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2k94 h THR 39 CO -0.12 0.23 0.00 0.52 0.37 0.00 0.00 175.52 176.51 2k94 n VAL 40 N -4.37 0.00 -0.64 3.16 0.31 -1.23 -2.36 118.33 113.19 2k94 n VAL 40 Ca 0.07 0.96 0.49 0.00 -0.01 0.00 0.00 64.34 65.84 2k94 n VAL 40 Cb 0.09 -1.82 0.75 0.00 -0.91 0.00 0.00 33.84 31.95 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 -1.32 0.00 0.23 5.55 1.02 -1.23 0.05 120.64 124.94 2k94 n GLU 41 Ca 0.00 1.02 -0.09 0.00 -0.02 0.00 0.00 57.16 58.07 2k94 n GLU 41 Cb 0.00 -2.37 -0.04 0.00 -0.02 0.00 0.00 31.44 29.00 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 -0.50 0.01 -4.62 7.12 -1.21 -1.18 115.31 114.93 2k94 h LEU 42 Ca 0.86 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.88 2k94 h LEU 42 Cb 3.52 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 43.78 2k94 h LEU 42 CO -0.01 -0.32 -0.00 0.58 -0.13 0.00 0.00 178.44 178.56 2k94 h VAL 43 N -0.67 1.12 -0.71 1.05 2.07 0.01 -2.71 116.25 116.41 2k94 h VAL 43 Ca -0.06 -0.38 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2k94 h VAL 43 Cb 0.45 1.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.47 2k94 h VAL 43 CO 0.10 0.10 -0.42 -0.03 0.02 0.00 0.00 177.57 177.34 2k94 h MET 44 N -0.17 -0.14 -0.09 1.57 4.05 -0.71 0.40 114.93 119.84 2k94 h MET 44 Ca -0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2k94 h MET 44 Cb 0.17 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 2k94 h MET 44 CO 0.00 -0.09 -0.35 0.00 0.23 0.00 0.00 176.91 176.70 2k94 h ALA 45 N 0.86 -0.47 -0.58 0.39 0.00 -1.11 -2.44 119.26 115.90 2k94 h ALA 45 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2k94 h ALA 45 Cb 0.56 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2k94 h ALA 45 CO -0.78 -0.85 -0.49 -0.07 0.00 0.00 0.00 179.25 177.06 2k94 h LEU 46 N -0.45 -1.72 -1.63 0.00 4.07 -0.64 1.60 115.31 116.54 2k94 h LEU 46 Ca 0.08 0.24 0.42 0.00 0.08 0.00 0.00 57.88 58.70 2k94 h LEU 46 Cb 0.58 0.73 -0.06 0.00 1.08 0.00 0.00 40.66 42.99 2k94 h LEU 46 CO -0.34 -0.28 1.24 -0.33 -1.08 0.00 0.00 178.44 177.65 2k94 h GLU 47 N -0.18 0.00 0.05 1.13 3.07 -0.74 1.13 114.58 119.03 2k94 h GLU 47 Ca 0.10 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.59 2k94 h GLU 47 Cb 0.44 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 2k94 h GLU 47 CO -0.65 0.00 -2.20 -1.91 -1.40 0.00 0.00 179.01 172.85 2k94 n GLU 48 N -3.68 0.70 -0.37 2.33 0.00 0.45 0.19 120.64 120.27 2k94 n GLU 48 Ca 0.32 0.20 -0.10 0.00 0.00 0.00 0.00 57.16 57.58 2k94 n GLU 48 Cb 1.68 -1.62 -0.09 0.00 0.00 0.00 0.00 31.44 31.41 2k94 n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k94 n GLU 49 N -3.29 -0.39 -0.78 5.31 4.07 0.39 -0.54 120.64 125.41 2k94 n GLU 49 Ca -0.36 1.38 -0.04 0.00 -0.06 0.00 0.00 57.16 58.08 2k94 n GLU 49 Cb 1.03 -2.03 0.21 0.00 -0.06 0.00 0.00 31.44 30.59 2k94 n GLU 49 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2k94 n PHE 50 N -5.03 1.31 -3.53 4.31 7.35 -1.07 -5.00 117.46 115.79 2k94 n PHE 50 Ca 0.02 -1.46 -0.38 0.00 -0.76 0.00 0.00 57.45 54.87 2k94 n PHE 50 Cb 0.23 -0.51 0.04 0.00 0.35 0.00 0.00 39.48 39.59 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k94 n ASP 51 N -0.97 -5.45 -3.75 -2.13 2.03 0.30 -4.99 116.55 101.60 2k94 n ASP 51 Ca 0.34 -0.24 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 2k94 n ASP 51 Cb 1.09 -1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.71 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2k94 s THR 52 N -1.62 -0.01 0.37 5.18 -1.32 0.52 -4.97 115.64 113.79 2k94 s THR 52 Ca 0.35 0.02 -0.24 0.00 -1.21 0.00 0.00 61.69 60.61 2k94 s THR 52 Cb -0.04 -0.46 -0.10 0.00 -1.51 0.00 0.00 72.50 70.39 2k94 s THR 52 CO 0.88 0.01 0.95 -0.70 -2.21 0.00 0.00 174.62 173.55 2k94 s GLU 53 N 0.38 4.42 -0.27 7.08 2.12 -1.26 -4.15 118.70 127.02 2k94 s GLU 53 Ca -0.02 1.26 0.02 0.00 0.36 0.00 0.00 54.97 56.59 2k94 s GLU 53 Cb -0.04 -2.54 0.07 0.00 0.26 0.00 0.00 34.13 31.88 2k94 s GLU 53 CO -0.02 0.13 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.28 2k94 s ILE 54 N -1.84 1.89 0.95 -3.70 -1.16 -1.26 -5.04 121.20 111.04 2k94 s ILE 54 Ca 0.55 -1.60 -0.12 0.00 -0.51 0.00 0.00 60.65 58.97 2k94 s ILE 54 Cb -0.15 -2.14 0.16 0.00 0.61 0.00 0.00 42.46 40.93 2k94 s ILE 54 CO 0.20 -0.19 1.11 -2.16 -2.81 0.00 0.00 174.94 171.09 2k94 s PRO 55 N 1.20 0.86 0.19 3.50 0.04 -1.26 -4.83 135.00 134.69 2k94 s PRO 55 Ca -0.03 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 2k94 s PRO 55 Cb -0.19 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.67 2k94 s PRO 55 CO -0.07 -2.42 1.83 0.38 0.04 0.00 0.00 177.00 176.76 2k94 h ASP 56 N -1.66 0.81 0.28 6.66 3.04 -2.00 -0.85 116.42 122.69 2k94 h ASP 56 Ca -0.52 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 2k94 h ASP 56 Cb 1.33 -0.20 -0.04 0.00 -1.04 0.00 0.00 39.33 39.38 2k94 h ASP 56 CO 0.60 0.63 -0.52 -0.08 -2.04 0.00 0.00 179.24 177.83 2k94 h GLU 57 N 0.91 -0.83 0.00 4.15 4.57 -2.05 0.23 114.58 121.56 2k94 h GLU 57 Ca 0.24 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2k94 h GLU 57 Cb -0.02 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2k94 h GLU 57 CO -0.04 -0.55 0.00 0.39 -1.18 0.00 0.00 179.01 177.62 2k94 n GLU 58 N -5.49 0.04 -1.15 1.92 1.02 -1.14 -3.37 120.64 112.48 2k94 n GLU 58 Ca -0.10 0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 57.28 2k94 n GLU 58 Cb 0.43 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k94 n ALA 59 N -1.58 6.65 0.01 0.62 0.00 0.80 -3.60 120.51 123.41 2k94 n ALA 59 Ca 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.07 2k94 n ALA 59 Cb 0.08 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.00 2k94 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k94 n GLU 60 N 2.52 0.00 -1.11 0.00 1.02 -1.22 -4.88 120.64 116.97 2k94 n GLU 60 Ca 0.52 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.47 2k94 n GLU 60 Cb 0.72 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.11 2k94 n GLU 60 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2k94 n LYS 61 N -2.54 1.99 -2.71 3.49 2.85 -1.24 -4.00 118.16 116.02 2k94 n LYS 61 Ca 0.00 -1.68 -0.00 0.00 -1.05 0.00 0.00 58.31 55.58 2k94 n LYS 61 Cb 0.00 -1.82 0.06 0.00 -0.65 0.00 0.00 35.03 32.62 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2k94 n ILE 62 N 0.90 1.00 0.54 0.58 5.41 -1.26 -3.32 119.36 123.21 2k94 n ILE 62 Ca 0.37 -2.50 0.06 0.00 1.00 0.00 0.00 62.75 61.68 2k94 n ILE 62 Cb 0.60 1.24 0.02 0.00 -0.71 0.00 0.00 39.64 40.80 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 -0.65 0.00 -1.62 1.39 5.66 -1.26 -4.81 114.28 112.99 2k94 n THR 63 Ca 0.03 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2k94 n THR 63 Cb 0.83 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.82 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 0.24 0.00 0.00 1.09 -2.24 -1.26 0.26 114.28 112.36 2k94 n THR 64 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2k94 n THR 64 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.21 2.28 0.31 -1.26 -4.32 118.33 115.12 2k94 n VAL 65 Ca 0.00 0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.62 2k94 n VAL 65 Cb 0.00 -1.29 0.05 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.06 -0.99 5.55 4.15 -1.81 0.32 115.11 122.26 2k94 h GLN 66 Ca 0.00 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.76 2k94 h GLN 66 Cb 0.00 0.01 -0.18 0.00 0.21 0.00 0.00 27.48 27.52 2k94 h GLN 66 CO 0.00 -0.04 0.26 0.00 -1.93 0.00 0.00 178.83 177.12 2k94 n ALA 67 N -3.12 0.75 0.06 3.38 0.00 -1.26 -0.32 120.51 119.99 2k94 n ALA 67 Ca 0.07 1.04 -0.09 0.00 0.00 0.00 0.00 53.44 54.45 2k94 n ALA 67 Cb 0.35 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 2k94 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k94 h ALA 68 N 1.98 -0.24 -0.99 0.00 0.00 -0.41 -2.97 119.26 116.63 2k94 h ALA 68 Ca 0.71 -0.20 0.36 0.00 0.00 0.00 0.00 54.91 55.78 2k94 h ALA 68 Cb 1.71 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 19.42 2k94 h ALA 68 CO -0.85 -0.29 0.43 0.82 0.00 0.00 0.00 179.25 179.36 2k94 h ILE 69 N -0.93 0.09 -0.20 0.00 2.04 0.49 1.11 117.51 120.10 2k94 h ILE 69 Ca -0.02 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2k94 h ILE 69 Cb 0.48 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2k94 h ILE 69 CO 0.04 0.02 0.06 -0.78 0.00 0.00 0.00 178.15 177.48 2k94 h ASP 70 N 0.08 0.30 -0.70 1.72 3.58 -0.70 1.30 116.42 122.00 2k94 h ASP 70 Ca 0.76 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.95 2k94 h ASP 70 Cb 1.87 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.81 2k94 h ASP 70 CO -0.75 0.43 0.26 0.22 -2.88 0.00 0.00 179.24 176.52 2k94 h TYR 71 N 0.14 1.09 0.00 0.28 3.20 0.11 -1.75 116.97 120.04 2k94 h TYR 71 Ca 0.06 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2k94 h TYR 71 Cb 0.24 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2k94 h TYR 71 CO 0.00 0.85 0.00 0.82 -1.64 0.00 0.00 178.16 178.19 2k94 h ILE 72 N 1.01 0.00 0.10 1.81 1.08 0.13 -0.52 117.51 121.12 2k94 h ILE 72 Ca 0.23 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2k94 h ILE 72 Cb 0.24 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2k94 h ILE 72 CO -0.02 0.00 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.27 2k94 h ASN 73 N 0.00 -0.11 0.00 1.72 -0.73 0.26 -3.43 115.58 113.29 2k94 h ASN 73 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k94 h ASN 73 Cb 0.81 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.43 2k94 h ASN 73 CO 0.00 -0.06 -0.09 0.61 -0.37 0.00 0.00 177.43 177.52 2k94 n GLY 74 N -0.19 -2.13 3.00 1.57 0.00 -1.08 -4.95 105.19 101.41 2k94 n GLY 74 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2k94 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k94 n HIS 75 N 0.00 -3.21 -2.83 1.61 -0.00 -0.20 -4.13 115.22 106.45 2k94 n HIS 75 Ca 0.00 1.33 -0.05 0.00 -0.00 0.00 0.00 57.72 58.99 2k94 n HIS 75 Cb 0.53 -3.40 0.01 0.00 -0.00 0.00 0.00 29.99 27.13 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2k94 n GLN 76 N -0.07 -0.43 -0.09 1.57 1.13 -1.26 -5.03 117.38 113.20 2k94 n GLN 76 Ca 0.05 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.84 2k94 n GLN 76 Cb 0.46 -0.95 0.00 0.00 0.11 0.00 0.00 30.24 29.85 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62