#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 0.01 6.66 -2.24 -1.26 -4.77 114.28 112.69 2k94 n THR 2 Ca 0.00 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 2k94 n THR 2 Cb 0.00 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.01 0.23 -0.81 2.28 1.08 -1.86 -0.40 117.51 116.02 2k94 h ILE 3 Ca -0.51 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2k94 h ILE 3 Cb 1.32 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 2k94 h ILE 3 CO 0.39 0.00 0.54 1.05 -0.69 0.00 0.00 178.15 179.44 2k94 h GLU 4 N -0.45 1.03 -1.00 2.37 -0.00 -1.82 -2.18 114.58 112.53 2k94 h GLU 4 Ca 0.08 -0.06 0.37 0.00 -0.00 0.00 0.00 59.36 59.75 2k94 h GLU 4 Cb 0.59 -0.23 -0.18 0.00 -0.00 0.00 0.00 28.75 28.92 2k94 h GLU 4 CO -0.36 0.68 0.37 1.49 -0.00 0.00 0.00 179.01 181.19 2k94 h GLU 5 N 1.06 0.01 0.06 1.06 4.57 -1.37 1.80 114.58 121.77 2k94 h GLU 5 Ca 0.31 -0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.22 2k94 h GLU 5 Cb -0.06 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2k94 h GLU 5 CO -0.08 0.01 -1.10 0.00 -1.18 0.00 0.00 179.01 176.66 2k94 h ARG 6 N 0.01 0.51 0.24 1.92 3.08 -1.30 -3.20 114.38 115.64 2k94 h ARG 6 Ca 0.77 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2k94 h ARG 6 Cb 1.90 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.15 2k94 h ARG 6 CO -0.82 1.25 -0.11 0.28 -1.07 0.00 0.00 179.97 179.50 2k94 h VAL 7 N 0.25 0.83 -0.84 2.04 2.07 0.22 -3.09 116.25 117.74 2k94 h VAL 7 Ca -0.13 -0.56 0.19 0.00 0.82 0.00 0.00 66.70 67.01 2k94 h VAL 7 Cb 1.76 1.15 -0.15 0.00 -1.52 0.00 0.00 31.29 32.53 2k94 h VAL 7 CO 0.20 0.12 -0.10 0.11 0.02 0.00 0.00 177.57 177.93 2k94 h LYS 8 N -0.62 0.03 0.00 1.57 1.79 0.14 0.20 116.57 119.68 2k94 h LYS 8 Ca -0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k94 h LYS 8 Cb 0.44 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2k94 h LYS 8 CO 0.05 0.02 0.00 1.63 -1.08 0.00 0.00 179.45 180.08 2k94 n LYS 9 N -5.47 0.00 -0.32 3.15 5.02 -1.17 0.78 118.16 120.15 2k94 n LYS 9 Ca 0.15 0.17 0.29 0.00 -2.02 0.00 0.00 58.31 56.91 2k94 n LYS 9 Cb 0.50 -0.76 0.55 0.00 -0.02 0.00 0.00 35.03 35.31 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 0.07 0.00 -0.18 5.03 -1.54 0.78 117.51 121.67 2k94 h ILE 10 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 2k94 h ILE 10 Cb 0.00 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.78 2k94 h ILE 10 CO 0.00 0.01 0.00 -0.38 -0.68 0.00 0.00 178.15 177.10 2k94 n ILE 11 N -5.22 0.00 -0.33 -0.67 2.08 0.67 -0.88 119.36 115.01 2k94 n ILE 11 Ca 0.36 0.90 0.27 0.00 0.56 0.00 0.00 62.75 64.84 2k94 n ILE 11 Cb 1.20 -1.81 0.58 0.00 -0.75 0.00 0.00 39.64 38.86 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 0.91 0.34 7.39 0.00 0.95 -0.18 103.07 112.47 2k94 h GLY 12 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.20 2k94 h GLY 12 CO 0.00 -0.12 -0.38 1.46 0.00 0.00 0.00 176.54 177.50 2k94 h GLN 13 N 0.27 -0.60 0.00 4.80 7.50 0.70 0.55 115.11 128.33 2k94 h GLN 13 Ca 0.60 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.79 2k94 h GLN 13 Cb 1.78 0.14 0.00 0.00 0.05 0.00 0.00 27.48 29.44 2k94 h GLN 13 CO -0.23 -0.40 0.00 1.04 -1.50 0.00 0.00 178.83 177.74 2k94 n GLN 14 N -5.45 0.00 -0.00 1.46 6.02 -0.06 -1.68 117.38 117.67 2k94 n GLN 14 Ca -0.07 0.55 -0.12 0.00 -0.01 0.00 0.00 57.00 57.35 2k94 n GLN 14 Cb 0.36 -1.00 -0.06 0.00 1.02 0.00 0.00 30.24 30.57 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 -1.28 0.00 1.08 -0.00 -1.63 -3.47 115.31 110.02 2k94 h LEU 15 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2k94 h LEU 15 Cb 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2k94 h LEU 15 CO 0.00 -0.42 0.00 0.61 -0.00 0.00 0.00 178.44 178.63 2k94 n GLY 16 N -1.43 0.17 3.08 0.83 0.00 0.12 -5.14 105.19 102.82 2k94 n GLY 16 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -0.00 0.96 1.61 -7.23 0.15 -4.98 120.40 110.90 2k94 s VAL 17 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.05 2k94 s VAL 17 Cb 0.00 -0.29 0.04 0.00 0.56 0.00 0.00 36.38 36.69 2k94 s VAL 17 CO 0.00 0.00 0.41 2.29 -0.31 0.00 0.00 175.10 177.49 2k94 n LYS 18 N 3.01 -0.37 0.00 4.82 2.85 -1.26 -3.43 118.16 123.79 2k94 n LYS 18 Ca -0.13 -0.07 0.06 0.00 -1.05 0.00 0.00 58.31 57.13 2k94 n LYS 18 Cb 0.58 -1.86 0.30 0.00 -0.65 0.00 0.00 35.03 33.40 2k94 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k94 n GLN 19 N -1.80 0.05 0.02 -1.58 0.00 -1.26 -1.89 117.38 110.91 2k94 n GLN 19 Ca 0.07 0.25 -0.10 0.00 0.00 0.00 0.00 57.00 57.22 2k94 n GLN 19 Cb 0.54 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.15 2k94 n GLN 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2k94 h GLU 20 N 0.00 0.04 -0.19 2.61 4.81 -1.95 -3.32 114.58 116.58 2k94 h GLU 20 Ca 0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 2k94 h GLU 20 Cb 0.20 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k94 h GLU 20 CO 0.00 0.76 -0.47 1.49 -0.73 0.00 0.00 179.01 180.07 2k94 h GLU 21 N 0.01 0.50 -6.46 1.92 4.22 -1.70 -3.43 114.58 109.64 2k94 h GLU 21 Ca -0.19 -0.28 -0.53 0.00 0.08 0.00 0.00 59.36 58.44 2k94 h GLU 21 Cb 1.93 0.02 0.03 0.00 0.50 0.00 0.00 28.75 31.23 2k94 h GLU 21 CO 0.11 0.86 1.10 0.08 -2.18 0.00 0.00 179.01 178.98 2k94 s VAL 22 N -4.11 2.78 0.31 0.32 1.01 -1.19 -4.99 120.40 114.52 2k94 s VAL 22 Ca -0.07 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2k94 s VAL 22 Cb 0.12 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.43 2k94 s VAL 22 CO 0.82 -0.00 0.43 0.35 0.00 0.00 0.00 175.10 176.70 2k94 n THR 23 N 4.88 0.00 -0.06 3.92 -2.24 -1.26 -4.92 114.28 114.60 2k94 n THR 23 Ca 0.17 -0.94 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 2k94 n THR 23 Cb 0.39 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.73 1.45 -3.28 3.42 4.13 -1.26 -2.51 115.26 114.48 2k94 n ASN 24 Ca 0.08 0.48 -0.37 0.00 1.68 0.00 0.00 54.58 56.45 2k94 n ASN 24 Cb 0.30 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 37.75 2k94 n ASN 24 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k94 n ASN 25 N -4.09 8.11 -1.72 6.41 2.85 -1.26 -3.90 115.26 121.65 2k94 n ASN 25 Ca -0.07 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.51 2k94 n ASN 25 Cb 0.26 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 39.84 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k94 n ALA 26 N 2.43 0.00 -3.48 5.20 0.00 -1.26 -5.10 120.51 118.29 2k94 n ALA 26 Ca 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.10 2k94 n ALA 26 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.83 -1.00 -0.00 0.00 0.15 -1.26 -4.52 113.70 106.24 2k94 s SER 27 Ca 0.00 1.20 0.04 0.00 0.70 0.00 0.00 55.95 57.89 2k94 s SER 27 Cb 0.00 2.06 0.12 0.00 -1.71 0.00 0.00 66.02 66.49 2k94 s SER 27 CO 0.00 -0.24 1.08 0.49 1.20 0.00 0.00 173.24 175.77 2k94 n PHE 28 N 5.43 0.19 -0.10 3.44 3.01 3.83 -1.71 117.46 131.55 2k94 n PHE 28 Ca -0.08 -0.09 -0.18 0.00 1.01 0.00 0.00 57.45 58.11 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 -0.09 1.51 0.01 -4.37 0.31 -1.18 0.77 118.33 115.29 2k94 n VAL 29 Ca 0.05 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2k94 n VAL 29 Cb 0.13 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 30.94 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 -4.47 0.00 -0.07 5.55 1.02 -1.25 -3.92 120.64 117.50 2k94 n GLU 30 Ca -0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.85 2k94 n GLU 30 Cb 0.59 -0.50 -0.02 0.00 -0.02 0.00 0.00 31.44 31.49 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 -3.10 -0.19 0.01 1.62 2.03 -0.93 -2.86 116.55 113.14 2k94 n ASP 31 Ca 0.00 1.07 -0.22 0.00 0.52 0.00 0.00 54.79 56.16 2k94 n ASP 31 Cb 0.40 -0.42 -0.14 0.00 -0.72 0.00 0.00 41.12 40.25 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 0.40 -1.31 -2.67 -0.00 -1.61 -3.50 115.31 106.62 2k94 h LEU 32 Ca 0.03 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 2k94 h LEU 32 Cb 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2k94 h LEU 32 CO -0.17 1.65 0.00 0.61 -0.00 0.00 0.00 178.44 180.53 2k94 n GLY 33 N 1.76 -1.36 3.12 0.83 0.00 -1.13 -5.01 105.19 103.41 2k94 n GLY 33 Ca -0.26 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 2.90 1.37 4.61 0.00 0.23 -4.96 121.76 125.91 2k94 s ALA 34 Ca 0.00 -2.12 -0.20 0.00 0.00 0.00 0.00 51.96 49.65 2k94 s ALA 34 Cb 0.00 -2.04 0.30 0.00 0.00 0.00 0.00 23.12 21.38 2k94 s ALA 34 CO 0.00 -1.49 0.73 -0.40 0.00 0.00 0.00 175.76 174.61 2k94 n ASP 35 N 4.53 -3.51 0.00 0.00 5.68 -1.26 -4.50 116.55 117.49 2k94 n ASP 35 Ca -0.07 -0.76 0.08 0.00 -0.50 0.00 0.00 54.79 53.54 2k94 n ASP 35 Cb 0.42 -0.81 0.38 0.00 -1.14 0.00 0.00 41.12 39.97 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 -5.20 0.00 0.04 -1.12 3.41 -1.26 -1.42 113.62 108.06 2k94 n SER 36 Ca 0.11 0.36 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2k94 n SER 36 Cb 0.49 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 2k94 n SER 36 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k94 n LEU 37 N -1.44 0.46 -0.07 1.04 0.00 -1.26 -3.62 117.00 112.12 2k94 n LEU 37 Ca 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 56.01 56.07 2k94 n LEU 37 Cb 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 43.42 43.41 2k94 n LEU 37 CO 0.15 -0.04 -0.91 -0.67 0.00 0.00 0.00 177.39 175.91 2k94 n ASP 38 N -2.30 0.29 0.07 1.96 4.64 -0.76 -3.71 116.55 116.73 2k94 n ASP 38 Ca -0.01 0.13 -0.06 0.00 -1.38 0.00 0.00 54.79 53.47 2k94 n ASP 38 Cb 0.52 0.72 0.09 0.00 -1.04 0.00 0.00 41.12 41.41 2k94 n ASP 38 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 2k94 h THR 39 N 0.00 1.39 0.04 5.18 2.02 -1.41 -3.02 112.91 117.12 2k94 h THR 39 Ca -0.42 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 64.69 2k94 h THR 39 Cb 2.07 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.54 2k94 h THR 39 CO 0.04 0.61 -0.02 0.58 0.37 0.00 0.00 175.52 177.11 2k94 h VAL 40 N 0.20 0.00 -1.76 3.16 2.07 -1.73 -2.98 116.25 115.21 2k94 h VAL 40 Ca -0.01 -0.04 0.51 0.00 0.82 0.00 0.00 66.70 67.97 2k94 h VAL 40 Cb 1.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2k94 h VAL 40 CO 0.10 0.00 1.34 -0.62 0.02 0.00 0.00 177.57 178.41 2k94 n GLU 41 N -2.27 0.00 0.34 1.57 1.02 -1.24 0.76 120.64 120.82 2k94 n GLU 41 Ca -0.01 1.03 -0.15 0.00 -0.02 0.00 0.00 57.16 58.01 2k94 n GLU 41 Cb 0.02 -2.41 -0.08 0.00 -0.02 0.00 0.00 31.44 28.95 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 -0.75 0.50 -4.62 7.12 -1.48 0.30 115.31 116.38 2k94 h LEU 42 Ca 0.83 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.81 2k94 h LEU 42 Cb 3.51 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 43.83 2k94 h LEU 42 CO -0.01 -0.39 -0.32 0.58 -0.13 0.00 0.00 178.44 178.18 2k94 h VAL 43 N -1.14 0.00 -0.79 1.05 2.07 0.50 0.38 116.25 118.32 2k94 h VAL 43 Ca -0.09 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.60 2k94 h VAL 43 Cb 0.71 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.33 2k94 h VAL 43 CO 0.15 0.00 -0.16 0.24 0.02 0.00 0.00 177.57 177.82 2k94 h MET 44 N -0.77 0.01 -0.16 1.57 2.86 -1.45 1.00 114.93 117.99 2k94 h MET 44 Ca -0.07 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2k94 h MET 44 Cb 0.62 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2k94 h MET 44 CO 0.06 0.01 0.09 0.00 1.06 0.00 0.00 176.91 178.12 2k94 h ALA 45 N 1.79 0.19 0.00 6.32 0.00 -0.67 0.13 119.26 127.02 2k94 h ALA 45 Ca 0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2k94 h ALA 45 Cb 0.63 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k94 h ALA 45 CO -0.80 -0.34 -0.12 -0.07 0.00 0.00 0.00 179.25 177.92 2k94 h LEU 46 N 0.18 0.00 -1.66 0.00 3.38 0.34 1.01 115.31 118.56 2k94 h LEU 46 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k94 h LEU 46 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k94 h LEU 46 CO -0.03 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 2k94 n GLU 47 N -3.91 2.06 0.00 1.13 4.71 0.31 -4.18 120.64 120.76 2k94 n GLU 47 Ca -0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 57.16 55.50 2k94 n GLU 47 Cb 0.21 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2k94 n GLU 47 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2k94 n GLU 48 N 0.83 0.00 -0.36 3.49 2.13 0.12 -2.26 120.64 124.59 2k94 n GLU 48 Ca 0.16 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.97 2k94 n GLU 48 Cb 0.40 -0.79 0.04 0.00 0.27 0.00 0.00 31.44 31.37 2k94 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k94 h GLU 49 N 0.00 -0.02 -0.12 5.31 4.57 0.78 -0.04 114.58 125.05 2k94 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k94 h GLU 49 Cb 0.74 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2k94 h GLU 49 CO 0.00 -0.01 0.00 1.19 -1.18 0.00 0.00 179.01 179.01 2k94 n PHE 50 N -5.47 0.42 -3.08 0.92 3.01 -1.26 -5.04 117.46 106.96 2k94 n PHE 50 Ca 0.10 -0.94 -0.04 0.00 1.01 0.00 0.00 57.45 57.58 2k94 n PHE 50 Cb 0.40 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.01 -6.92 -3.93 4.37 8.00 -0.03 -5.02 116.55 112.01 2k94 n ASP 51 Ca 0.18 0.64 -0.10 0.00 0.71 0.00 0.00 54.79 56.22 2k94 n ASP 51 Cb 0.74 -2.73 -0.05 0.00 -0.02 0.00 0.00 41.12 39.05 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 -1.27 0.00 0.10 -3.53 -1.32 -0.96 -4.94 115.64 103.71 2k94 s THR 52 Ca 0.04 -1.48 0.09 0.00 -1.21 0.00 0.00 61.69 59.14 2k94 s THR 52 Cb -0.01 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 2k94 s THR 52 CO 0.32 0.00 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.91 2k94 s GLU 53 N -3.91 1.75 -0.03 7.08 2.02 -1.26 -4.47 118.70 119.87 2k94 s GLU 53 Ca 0.25 -1.18 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2k94 s GLU 53 Cb 0.00 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 2k94 s GLU 53 CO 0.10 0.49 -0.14 -1.50 0.02 0.00 0.00 175.26 174.23 2k94 s ILE 54 N -1.05 1.19 1.00 -1.63 -1.16 -1.26 -5.08 121.20 113.22 2k94 s ILE 54 Ca 0.16 -0.59 -0.17 0.00 -0.51 0.00 0.00 60.65 59.54 2k94 s ILE 54 Cb -0.10 -1.02 0.25 0.00 0.61 0.00 0.00 42.46 42.19 2k94 s ILE 54 CO 0.07 0.35 0.99 -0.81 -2.81 0.00 0.00 174.94 172.73 2k94 n PRO 55 N 3.13 -2.41 -0.03 3.50 -0.04 -1.26 -5.01 135.00 132.87 2k94 n PRO 55 Ca -0.18 -1.57 -0.18 0.00 -0.04 0.00 0.00 63.50 61.54 2k94 n PRO 55 Cb 0.54 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.51 2k94 n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k94 n ASP 56 N -4.39 1.72 0.22 3.54 2.03 -1.26 -3.85 116.55 114.56 2k94 n ASP 56 Ca 0.13 0.16 -0.13 0.00 0.52 0.00 0.00 54.79 55.47 2k94 n ASP 56 Cb 0.50 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 2k94 n ASP 56 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k94 h GLU 57 N 0.04 -0.71 0.00 -0.67 5.08 -2.05 -0.10 114.58 116.17 2k94 h GLU 57 Ca -0.44 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2k94 h GLU 57 Cb 2.02 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.43 2k94 h GLU 57 CO 0.05 -0.47 0.24 1.49 -1.00 0.00 0.00 179.01 179.31 2k94 h GLU 58 N -0.74 0.00 -2.89 2.33 4.81 -1.99 -3.11 114.58 112.99 2k94 h GLU 58 Ca -0.05 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.74 2k94 h GLU 58 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2k94 h GLU 58 CO -0.04 0.00 2.34 0.00 -0.73 0.00 0.00 179.01 180.58 2k94 n ALA 59 N -1.86 6.13 0.06 2.92 0.00 -0.05 -3.55 120.51 124.16 2k94 n ALA 59 Ca -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.92 2k94 n ALA 59 Cb 0.28 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2k94 n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k94 n GLU 60 N 3.48 0.00 0.00 0.00 0.00 -1.18 -4.81 120.64 118.14 2k94 n GLU 60 Ca 0.56 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.81 2k94 n GLU 60 Cb 0.35 -0.02 0.43 0.00 0.00 0.00 0.00 31.44 32.20 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k94 n LYS 61 N -2.94 0.21 -0.93 5.31 4.01 -1.23 -3.93 118.16 118.66 2k94 n LYS 61 Ca 0.00 0.13 -0.18 0.00 -0.51 0.00 0.00 58.31 57.76 2k94 n LYS 61 Cb 0.01 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 32.93 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2k94 n ILE 62 N -1.32 2.89 0.04 -0.18 5.41 -1.26 -3.85 119.36 121.10 2k94 n ILE 62 Ca 0.08 -1.56 0.02 0.00 1.00 0.00 0.00 62.75 62.28 2k94 n ILE 62 Cb 0.15 -2.10 0.04 0.00 -0.71 0.00 0.00 39.64 37.03 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 3.00 0.55 -2.22 1.39 5.66 -1.25 -4.95 114.28 116.46 2k94 n THR 63 Ca 0.46 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2k94 n THR 63 Cb 0.57 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 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 0.06 0.00 0.00 1.09 -2.24 -1.25 0.75 114.28 112.69 2k94 n THR 64 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2k94 n THR 64 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.30 2.28 0.31 -1.26 -4.41 118.33 114.96 2k94 n VAL 65 Ca 0.00 0.26 0.24 0.00 -0.01 0.00 0.00 64.34 64.84 2k94 n VAL 65 Cb 0.00 -1.18 0.45 0.00 -0.91 0.00 0.00 33.84 32.21 2k94 n VAL 65 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2k94 n GLN 66 N -1.89 -0.06 -0.04 5.55 7.27 -1.04 -0.87 117.38 126.29 2k94 n GLN 66 Ca 0.00 1.29 -0.01 0.00 0.07 0.00 0.00 57.00 58.35 2k94 n GLN 66 Cb 0.00 -2.23 -0.01 0.00 2.41 0.00 0.00 30.24 30.41 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k94 n ALA 67 N -2.60 -0.06 -0.16 1.69 0.00 -1.26 -0.13 120.51 117.99 2k94 n ALA 67 Ca 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.80 2k94 n ALA 67 Cb 1.03 0.43 0.04 0.00 0.00 0.00 0.00 19.45 20.96 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 -0.85 0.38 -1.12 0.00 0.00 -1.21 0.48 119.26 116.94 2k94 h ALA 68 Ca 0.01 0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.43 2k94 h ALA 68 Cb 0.04 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2k94 h ALA 68 CO -0.09 -0.43 0.80 0.82 0.00 0.00 0.00 179.25 180.36 2k94 h ILE 69 N 0.03 0.44 -0.19 0.00 2.04 -0.56 0.60 117.51 119.86 2k94 h ILE 69 Ca 0.25 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.96 2k94 h ILE 69 Cb 0.38 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2k94 h ILE 69 CO -0.49 0.00 -0.44 -0.78 0.00 0.00 0.00 178.15 176.45 2k94 h ASP 70 N 0.01 0.72 -0.40 1.72 1.82 0.35 0.23 116.42 120.87 2k94 h ASP 70 Ca 0.53 -0.56 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2k94 h ASP 70 Cb 2.12 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 41.91 2k94 h ASP 70 CO -0.01 1.15 0.05 0.22 -1.61 0.00 0.00 179.24 179.03 2k94 h TYR 71 N 0.32 0.72 0.00 0.28 3.20 0.43 -2.30 116.97 119.63 2k94 h TYR 71 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2k94 h TYR 71 Cb 1.04 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2k94 h TYR 71 CO 0.09 0.72 0.00 0.82 -1.64 0.00 0.00 178.16 178.15 2k94 h ILE 72 N 0.52 0.00 0.00 1.81 1.08 -1.01 0.16 117.51 120.07 2k94 h ILE 72 Ca 0.12 -0.59 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2k94 h ILE 72 Cb 0.40 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2k94 h ILE 72 CO 0.01 0.00 -0.00 -1.13 -0.69 0.00 0.00 178.15 176.34 2k94 h ASN 73 N 0.00 -0.00 0.00 1.72 -0.73 0.04 -3.42 115.58 113.19 2k94 h ASN 73 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2k94 h ASN 73 Cb 0.70 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.28 2k94 h ASN 73 CO 0.00 -0.00 -1.20 0.61 -0.37 0.00 0.00 177.43 176.46 2k94 n GLY 74 N -0.36 -0.17 1.97 1.57 0.00 -1.13 -4.80 105.19 102.27 2k94 n GLY 74 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.90 -4.86 -3.83 1.61 -0.00 0.56 -4.57 115.22 102.23 2k94 n HIS 75 Ca -0.03 2.80 -0.31 0.00 -0.00 0.00 0.00 57.72 60.18 2k94 n HIS 75 Cb 0.37 -3.67 0.01 0.00 -0.00 0.00 0.00 29.99 26.70 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 1.43 -0.89 0.00 1.57 1.13 -1.26 -5.07 117.38 114.28 2k94 n GLN 76 Ca 0.00 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 2k94 n GLN 76 Cb 0.00 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.36 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62