#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 0.11 6.66 -2.24 -1.26 -4.78 114.28 112.77 2k94 n THR 2 Ca 0.00 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2k94 n THR 2 Cb 0.00 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 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 -2.38 0.33 -0.04 2.28 -0.00 -1.95 0.19 117.51 115.94 2k94 h ILE 3 Ca -0.56 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.31 2k94 h ILE 3 Cb 1.33 0.33 -0.00 0.00 -0.00 0.00 0.00 36.82 38.48 2k94 h ILE 3 CO 0.45 0.00 0.04 1.05 -0.00 0.00 0.00 178.15 179.69 2k94 h GLU 4 N -0.54 0.00 -0.77 2.19 9.09 -1.91 -0.97 114.58 121.67 2k94 h GLU 4 Ca 0.03 0.00 0.22 0.00 0.05 0.00 0.00 59.36 59.66 2k94 h GLU 4 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 2k94 h GLU 4 CO -0.18 0.00 0.60 1.49 0.05 0.00 0.00 179.01 180.96 2k94 h GLU 5 N 0.00 0.00 0.00 1.06 4.22 -1.26 1.11 114.58 119.71 2k94 h GLU 5 Ca 0.02 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.13 2k94 h GLU 5 Cb 0.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2k94 h GLU 5 CO -0.00 0.00 -2.06 0.54 -2.18 0.00 0.00 179.01 175.31 2k94 n ARG 6 N -4.12 0.66 -0.03 1.92 1.74 -0.38 -4.04 116.66 112.40 2k94 n ARG 6 Ca 0.16 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.23 2k94 n ARG 6 Cb 0.88 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 30.57 2k94 n ARG 6 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k94 h VAL 7 N 0.00 1.44 -0.64 1.55 2.07 -0.41 -3.23 116.25 117.03 2k94 h VAL 7 Ca -0.42 -1.54 0.13 0.00 0.82 0.00 0.00 66.70 65.70 2k94 h VAL 7 Cb 2.12 2.30 -0.10 0.00 -1.52 0.00 0.00 31.29 34.09 2k94 h VAL 7 CO 0.05 0.43 0.07 0.11 0.02 0.00 0.00 177.57 178.25 2k94 h LYS 8 N -0.30 0.18 0.00 1.57 6.56 0.88 0.21 116.57 125.66 2k94 h LYS 8 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2k94 h LYS 8 Cb 0.78 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 2k94 h LYS 8 CO 0.04 0.12 0.00 1.17 -2.06 0.00 0.00 179.45 178.71 2k94 n LYS 9 N -5.22 0.00 -0.37 3.15 4.81 -1.22 0.86 118.16 120.17 2k94 n LYS 9 Ca 0.10 0.21 0.30 0.00 -0.87 0.00 0.00 58.31 58.06 2k94 n LYS 9 Cb 0.37 -0.85 0.56 0.00 0.02 0.00 0.00 35.03 35.14 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k94 h ILE 10 N 0.00 0.19 0.00 3.15 2.04 -1.59 0.26 117.51 121.56 2k94 h ILE 10 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2k94 h ILE 10 Cb 0.00 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2k94 h ILE 10 CO 0.00 0.03 0.00 -0.38 0.00 0.00 0.00 178.15 177.80 2k94 n ILE 11 N -4.94 0.00 -0.37 -0.67 2.08 0.72 0.76 119.36 116.94 2k94 n ILE 11 Ca 0.35 0.87 0.32 0.00 0.56 0.00 0.00 62.75 64.85 2k94 n ILE 11 Cb 1.20 -1.84 0.59 0.00 -0.75 0.00 0.00 39.64 38.83 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 1.85 0.92 7.39 0.00 0.88 0.42 103.07 114.52 2k94 h GLY 12 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2k94 h GLY 12 CO 0.00 -0.58 -0.24 1.46 0.00 0.00 0.00 176.54 177.18 2k94 h GLN 13 N 0.10 -0.66 -1.20 4.80 7.50 -0.41 1.22 115.11 126.47 2k94 h GLN 13 Ca 0.82 0.04 0.34 0.00 0.50 0.00 0.00 58.65 60.35 2k94 h GLN 13 Cb 2.26 0.15 -0.08 0.00 0.05 0.00 0.00 27.48 29.87 2k94 h GLN 13 CO -0.59 -0.40 0.82 1.96 -1.50 0.00 0.00 178.83 179.12 2k94 h GLN 14 N -0.77 0.15 0.04 1.46 4.20 0.49 0.28 115.11 120.96 2k94 h GLN 14 Ca -0.07 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.45 2k94 h GLN 14 Cb 0.56 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2k94 h GLN 14 CO 0.11 0.10 -0.95 1.25 -0.67 0.00 0.00 178.83 178.67 2k94 h LEU 15 N 0.16 0.14 0.00 1.46 7.12 -0.85 -3.46 115.31 119.88 2k94 h LEU 15 Ca 0.63 -0.77 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2k94 h LEU 15 Cb 2.12 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 42.20 2k94 h LEU 15 CO -0.17 1.40 0.00 0.61 -0.13 0.00 0.00 178.44 180.15 2k94 n GLY 16 N 1.59 1.11 2.97 3.75 0.00 0.38 -5.11 105.19 109.89 2k94 n GLY 16 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.17 0.98 1.61 -7.23 0.11 -4.98 120.40 109.06 2k94 s VAL 17 Ca 0.00 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2k94 s VAL 17 Cb 0.00 -0.28 0.13 0.00 0.56 0.00 0.00 36.38 36.79 2k94 s VAL 17 CO 0.00 -0.38 0.77 2.29 -0.31 0.00 0.00 175.10 177.47 2k94 n LYS 18 N 1.85 -0.79 0.29 4.82 2.85 -1.26 -3.46 118.16 122.46 2k94 n LYS 18 Ca -0.22 -0.18 0.18 0.00 -1.05 0.00 0.00 58.31 57.04 2k94 n LYS 18 Cb 0.56 -2.11 0.87 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.92 0.00 -0.16 -1.58 -0.00 -1.90 -2.08 115.11 107.47 2k94 h GLN 19 Ca -0.47 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.00 2k94 h GLN 19 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2k94 h GLN 19 CO 0.40 0.03 -0.65 0.93 -0.00 0.00 0.00 178.83 179.54 2k94 h GLU 20 N 0.00 0.60 0.09 0.06 5.08 -1.96 -3.23 114.58 115.21 2k94 h GLU 20 Ca -0.00 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k94 h GLU 20 Cb 0.31 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k94 h GLU 20 CO 0.00 1.05 -0.04 1.49 -1.00 0.00 0.00 179.01 180.51 2k94 h GLU 21 N 0.43 -0.11 -5.56 2.33 4.22 -1.70 -3.39 114.58 110.79 2k94 h GLU 21 Ca -0.01 0.01 -0.51 0.00 0.08 0.00 0.00 59.36 58.92 2k94 h GLU 21 Cb 1.23 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2k94 h GLU 21 CO 0.12 -0.04 1.62 0.28 -2.18 0.00 0.00 179.01 178.82 2k94 n VAL 22 N -5.12 0.00 -0.61 0.32 0.31 -1.20 -4.92 118.33 107.12 2k94 n VAL 22 Ca -0.08 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2k94 n VAL 22 Cb 0.09 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 2k94 n VAL 22 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2k94 n THR 23 N 7.77 0.00 -0.07 2.52 -1.04 -1.26 -4.97 114.28 117.23 2k94 n THR 23 Ca 0.43 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.37 2k94 n THR 23 Cb 0.39 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.90 2k94 n THR 23 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2k94 n ASN 24 N -1.65 1.53 -3.34 8.00 4.13 -1.26 -3.89 115.26 118.77 2k94 n ASN 24 Ca 0.00 0.26 -0.38 0.00 1.68 0.00 0.00 54.58 56.14 2k94 n ASN 24 Cb 0.00 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 37.54 2k94 n ASN 24 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2k94 n ASN 25 N -4.05 7.94 0.00 6.41 6.94 -1.26 -3.60 115.26 127.65 2k94 n ASN 25 Ca -0.11 -3.08 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 2k94 n ASN 25 Cb 0.41 -1.37 0.00 0.00 -2.36 0.00 0.00 39.78 36.46 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k94 n ALA 26 N 1.84 0.00 -3.57 -2.53 0.00 -1.26 -5.12 120.51 109.87 2k94 n ALA 26 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 54.06 2k94 n ALA 26 Cb 0.28 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 0.34 -1.08 0.00 0.00 0.15 -1.26 -4.69 113.70 107.16 2k94 s SER 27 Ca 0.00 1.41 0.07 0.00 0.70 0.00 0.00 55.95 58.13 2k94 s SER 27 Cb 0.00 2.20 0.33 0.00 -1.71 0.00 0.00 66.02 66.84 2k94 s SER 27 CO 0.00 -0.21 1.23 0.49 1.20 0.00 0.00 173.24 175.95 2k94 n PHE 28 N 5.38 0.11 -0.09 3.44 3.01 0.12 -1.15 117.46 128.28 2k94 n PHE 28 Ca -0.11 -0.05 -0.11 0.00 1.01 0.00 0.00 57.45 58.19 2k94 n PHE 28 Cb 0.50 0.00 -0.10 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 -0.30 1.09 0.06 -4.37 0.31 -1.09 -0.77 118.33 113.26 2k94 n VAL 29 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2k94 n VAL 29 Cb 0.09 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 -2.89 0.00 -0.37 5.55 1.02 -1.21 -3.94 120.64 118.80 2k94 n GLU 30 Ca -0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.82 2k94 n GLU 30 Cb 0.91 -0.43 0.05 0.00 -0.02 0.00 0.00 31.44 31.95 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 -3.44 -0.62 -0.13 1.62 -0.08 -0.35 -2.92 116.55 110.64 2k94 n ASP 31 Ca 0.00 1.70 -0.28 0.00 -1.51 0.00 0.00 54.79 54.70 2k94 n ASP 31 Cb 0.04 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 43.00 2k94 n ASP 31 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k94 n LEU 32 N -5.45 1.98 -0.59 -2.67 4.32 -0.30 -4.98 117.00 109.31 2k94 n LEU 32 Ca 0.10 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 2k94 n LEU 32 Cb 0.40 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 2k94 n LEU 32 CO -0.13 0.53 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2k94 n GLY 33 N 1.33 0.30 3.36 -0.72 0.00 -1.15 -4.99 105.19 103.33 2k94 n GLY 33 Ca -0.50 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.67 3.54 1.02 4.61 0.00 0.05 -4.97 121.76 124.34 2k94 s ALA 34 Ca 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 2k94 s ALA 34 Cb 0.00 -3.28 0.19 0.00 0.00 0.00 0.00 23.12 20.02 2k94 s ALA 34 CO 0.00 -2.01 0.38 -0.40 0.00 0.00 0.00 175.76 173.73 2k94 n ASP 35 N 5.60 -3.09 0.00 0.00 5.68 -1.26 -4.20 116.55 119.28 2k94 n ASP 35 Ca -0.12 -0.42 0.09 0.00 -0.50 0.00 0.00 54.79 53.84 2k94 n ASP 35 Cb 0.42 -0.77 0.45 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.50 0.00 0.02 -1.12 3.41 -1.26 -1.36 113.62 111.80 2k94 n SER 36 Ca 0.06 0.10 0.05 0.00 -0.26 0.00 0.00 58.87 58.83 2k94 n SER 36 Cb 0.35 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.32 0.42 -0.03 1.04 4.32 -1.26 -3.63 117.00 116.54 2k94 n LEU 37 Ca 0.08 0.17 -0.20 0.00 -0.02 0.00 0.00 56.01 56.04 2k94 n LEU 37 Cb 0.16 0.08 -0.13 0.00 -1.62 0.00 0.00 43.42 41.90 2k94 n LEU 37 CO 0.15 0.06 -0.96 -0.67 -1.22 0.00 0.00 177.39 174.74 2k94 n ASP 38 N -2.59 2.06 -0.08 -1.43 -0.08 -0.85 -3.70 116.55 109.88 2k94 n ASP 38 Ca -0.09 0.11 -0.10 0.00 -1.51 0.00 0.00 54.79 53.21 2k94 n ASP 38 Cb 0.72 -0.71 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 0.05 1.11 0.20 5.18 2.02 -1.39 -1.90 112.91 118.18 2k94 h THR 39 Ca -0.47 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2k94 h THR 39 Cb 2.00 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2k94 h THR 39 CO 0.04 0.11 -0.16 0.58 0.37 0.00 0.00 175.52 176.46 2k94 h VAL 40 N 0.34 0.00 -0.73 3.16 2.07 -1.75 -0.86 116.25 118.48 2k94 h VAL 40 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.83 2k94 h VAL 40 Cb 0.04 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 2k94 h VAL 40 CO -0.02 0.00 0.90 -0.33 0.02 0.00 0.00 177.57 178.14 2k94 h GLU 41 N -0.34 0.00 0.44 1.57 5.08 -1.63 0.23 114.58 119.92 2k94 h GLU 41 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k94 h GLU 41 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k94 h GLU 41 CO 0.00 0.00 -0.21 1.25 -1.00 0.00 0.00 179.01 179.05 2k94 h LEU 42 N 0.00 -0.49 0.75 1.33 5.85 -0.35 -2.68 115.31 119.72 2k94 h LEU 42 Ca 0.35 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2k94 h LEU 42 Cb 2.14 0.13 0.01 0.00 0.37 0.00 0.00 40.66 43.30 2k94 h LEU 42 CO -0.00 -0.06 -0.37 0.58 -0.34 0.00 0.00 178.44 178.24 2k94 h VAL 43 N -1.11 0.24 -0.98 1.05 2.07 0.40 0.31 116.25 118.23 2k94 h VAL 43 Ca -0.06 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.61 2k94 h VAL 43 Cb 0.50 0.24 -0.16 0.00 -1.52 0.00 0.00 31.29 30.36 2k94 h VAL 43 CO 0.10 0.00 -0.38 0.80 0.02 0.00 0.00 177.57 178.11 2k94 n MET 44 N -5.53 -0.23 0.23 1.57 1.56 -0.13 0.18 117.12 114.77 2k94 n MET 44 Ca -0.14 1.50 -0.14 0.00 -0.27 0.00 0.00 57.70 58.65 2k94 n MET 44 Cb 0.41 -2.23 -0.08 0.00 2.15 0.00 0.00 33.22 33.47 2k94 n MET 44 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k94 h ALA 45 N 1.36 -0.60 -0.97 -5.12 0.00 -1.28 -2.95 119.26 109.69 2k94 h ALA 45 Ca 0.34 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.37 2k94 h ALA 45 Cb 0.59 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 2k94 h ALA 45 CO -0.97 -0.71 0.22 -0.07 0.00 0.00 0.00 179.25 177.72 2k94 h LEU 46 N -0.86 -0.15 0.00 0.00 4.07 0.18 0.87 115.31 119.42 2k94 h LEU 46 Ca -0.06 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2k94 h LEU 46 Cb 0.57 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2k94 h LEU 46 CO 0.10 -0.33 0.00 -0.62 -1.08 0.00 0.00 178.44 176.51 2k94 n GLU 47 N -5.37 0.00 -0.28 1.13 1.02 0.13 -2.41 120.64 114.86 2k94 n GLU 47 Ca 0.27 0.48 0.22 0.00 -0.02 0.00 0.00 57.16 58.11 2k94 n GLU 47 Cb 0.89 -1.40 0.53 0.00 -0.02 0.00 0.00 31.44 31.44 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 0.36 -0.98 3.49 4.81 -1.11 0.69 114.58 121.85 2k94 h GLU 48 Ca 0.00 -0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.45 2k94 h GLU 48 Cb 0.00 -0.08 -0.18 0.00 0.63 0.00 0.00 28.75 29.12 2k94 h GLU 48 CO 0.00 0.24 -0.06 -1.91 -0.73 0.00 0.00 179.01 176.55 2k94 n GLU 49 N -4.54 -0.08 -0.54 1.92 2.13 0.29 -0.32 120.64 119.50 2k94 n GLU 49 Ca 0.22 1.48 0.07 0.00 0.66 0.00 0.00 57.16 59.59 2k94 n GLU 49 Cb 0.81 -2.31 0.16 0.00 0.27 0.00 0.00 31.44 30.37 2k94 n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2k94 n PHE 50 N -5.50 0.00 -3.65 4.31 3.01 -0.28 -5.01 117.46 110.34 2k94 n PHE 50 Ca 0.21 -1.16 -0.22 0.00 1.01 0.00 0.00 57.45 57.28 2k94 n PHE 50 Cb 0.67 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2k94 n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k94 n ASP 51 N -0.97 -5.35 -3.84 4.37 -0.08 0.57 -4.99 116.55 106.26 2k94 n ASP 51 Ca 0.16 -0.75 -0.12 0.00 -1.51 0.00 0.00 54.79 52.57 2k94 n ASP 51 Cb 0.73 -2.21 -0.12 0.00 2.34 0.00 0.00 41.12 41.85 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2k94 s THR 52 N -2.84 0.02 -1.13 5.18 -1.32 -0.68 -4.97 115.64 109.92 2k94 s THR 52 Ca 0.04 -0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.25 2k94 s THR 52 Cb -0.01 -0.26 0.27 0.00 -1.51 0.00 0.00 72.50 71.00 2k94 s THR 52 CO 0.87 -0.10 1.23 1.21 -2.21 0.00 0.00 174.62 175.62 2k94 n GLU 53 N 2.60 3.69 -1.35 7.08 2.13 -1.26 -4.36 120.64 129.16 2k94 n GLU 53 Ca -0.15 -4.39 -0.58 0.00 0.66 0.00 0.00 57.16 52.70 2k94 n GLU 53 Cb 0.58 -2.61 -0.11 0.00 0.27 0.00 0.00 31.44 29.58 2k94 n GLU 53 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2k94 n ILE 54 N 2.67 0.06 -1.75 6.31 0.00 -1.26 -4.88 119.36 120.50 2k94 n ILE 54 Ca 0.26 -0.06 -0.32 0.00 0.00 0.00 0.00 62.75 62.63 2k94 n ILE 54 Cb 0.38 -0.80 0.04 0.00 0.00 0.00 0.00 39.64 39.27 2k94 n ILE 54 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k94 s PRO 55 N 5.73 2.93 0.14 9.51 0.04 -1.26 -4.87 135.00 147.22 2k94 s PRO 55 Ca 1.16 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 2k94 s PRO 55 Cb -1.33 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2k94 s PRO 55 CO 0.63 -1.12 1.59 0.22 0.04 0.00 0.00 177.00 178.36 2k94 h ASP 56 N -0.13 -1.20 -0.54 6.66 3.58 -1.94 -1.49 116.42 121.35 2k94 h ASP 56 Ca -0.46 0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.21 2k94 h ASP 56 Cb 1.23 0.50 -0.08 0.00 1.72 0.00 0.00 39.33 42.70 2k94 h ASP 56 CO 0.55 -0.39 -0.42 -0.33 -2.88 0.00 0.00 179.24 175.76 2k94 h GLU 57 N -0.43 -0.13 -0.61 0.28 5.08 -2.01 1.58 114.58 118.34 2k94 h GLU 57 Ca 0.09 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.64 2k94 h GLU 57 Cb 0.59 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2k94 h GLU 57 CO -0.40 -0.08 0.63 0.93 -1.00 0.00 0.00 179.01 179.08 2k94 h GLU 58 N -0.13 0.00 -3.54 2.33 5.08 -1.81 -3.09 114.58 113.42 2k94 h GLU 58 Ca 0.09 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.08 2k94 h GLU 58 Cb 0.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k94 h GLU 58 CO -0.58 0.00 2.49 0.00 -1.00 0.00 0.00 179.01 179.92 2k94 n ALA 59 N -2.37 4.37 0.00 3.43 0.00 0.54 -3.18 120.51 123.30 2k94 n ALA 59 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.63 2k94 n ALA 59 Cb 0.85 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 4.42 0.00 -1.76 0.00 2.13 -1.17 -4.88 120.64 119.38 2k94 n GLU 60 Ca 0.42 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.89 2k94 n GLU 60 Cb 0.14 -0.26 0.01 0.00 0.27 0.00 0.00 31.44 31.60 2k94 n GLU 60 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k94 n LYS 61 N -2.06 2.62 -2.84 5.31 4.01 -1.19 -4.48 118.16 119.53 2k94 n LYS 61 Ca 0.00 -3.10 -0.12 0.00 -0.51 0.00 0.00 58.31 54.59 2k94 n LYS 61 Cb 0.02 -2.22 0.02 0.00 -0.51 0.00 0.00 35.03 32.33 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 -0.04 0.49 0.19 -0.18 5.41 -1.26 -3.04 119.36 120.93 2k94 n ILE 62 Ca 0.52 -3.41 0.03 0.00 1.00 0.00 0.00 62.75 60.89 2k94 n ILE 62 Cb 0.35 0.41 -0.04 0.00 -0.71 0.00 0.00 39.64 39.65 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 0.04 0.00 -2.14 1.39 5.66 -1.26 -4.90 114.28 113.07 2k94 n THR 63 Ca 0.14 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2k94 n THR 63 Cb 0.76 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 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 -1.31 0.00 0.00 1.09 -2.24 -1.26 0.15 114.28 110.71 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 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -4.12 118.33 115.21 2k94 n VAL 65 Ca 0.00 0.37 0.12 0.00 -0.01 0.00 0.00 64.34 64.82 2k94 n VAL 65 Cb 0.00 -1.23 0.25 0.00 -0.91 0.00 0.00 33.84 31.95 2k94 n VAL 65 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2k94 h GLN 66 N 0.00 0.03 -0.32 5.55 1.08 -1.67 -0.55 115.11 119.23 2k94 h GLN 66 Ca 0.00 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2k94 h GLN 66 Cb 0.00 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2k94 h GLN 66 CO 0.00 0.02 -0.19 0.00 -0.95 0.00 0.00 178.83 177.71 2k94 n ALA 67 N -3.13 -0.21 -0.04 3.87 0.00 -1.26 0.44 120.51 120.17 2k94 n ALA 67 Ca 0.21 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2k94 n ALA 67 Cb 0.68 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.49 -0.13 -1.04 0.00 0.00 -1.03 0.34 119.26 116.91 2k94 h ALA 68 Ca 0.05 0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.33 2k94 h ALA 68 Cb 0.13 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2k94 h ALA 68 CO -0.31 -0.67 0.78 0.82 0.00 0.00 0.00 179.25 179.87 2k94 h ILE 69 N -0.25 0.42 0.08 0.00 2.04 -0.36 0.77 117.51 120.21 2k94 h ILE 69 Ca 0.13 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.72 2k94 h ILE 69 Cb 0.46 0.45 0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2k94 h ILE 69 CO -0.38 0.00 -1.16 -0.78 0.00 0.00 0.00 178.15 175.83 2k94 h ASP 70 N 0.00 0.76 -0.33 1.72 1.82 0.39 -0.73 116.42 120.06 2k94 h ASP 70 Ca 0.49 -0.68 -0.07 0.00 -0.39 0.00 0.00 57.03 56.38 2k94 h ASP 70 Cb 2.04 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.80 2k94 h ASP 70 CO -0.01 1.50 -0.07 0.22 -1.61 0.00 0.00 179.24 179.28 2k94 h TYR 71 N 0.26 0.70 0.00 0.28 3.20 0.16 -2.63 116.97 118.95 2k94 h TYR 71 Ca -0.15 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2k94 h TYR 71 Cb 1.83 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.92 2k94 h TYR 71 CO 0.10 0.79 -0.04 0.82 -1.64 0.00 0.00 178.16 178.19 2k94 h ILE 72 N 0.41 0.08 0.00 1.81 1.08 -0.86 0.93 117.51 120.96 2k94 h ILE 72 Ca 0.09 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2k94 h ILE 72 Cb 0.55 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 2k94 h ILE 72 CO 0.03 0.04 0.00 -3.20 -0.69 0.00 0.00 178.15 174.33 2k94 n ASN 73 N -3.12 0.00 0.00 1.72 2.85 -0.28 -4.66 115.26 111.77 2k94 n ASN 73 Ca 0.02 0.88 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 2k94 n ASN 73 Cb 0.44 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2k94 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k94 n GLY 74 N -0.34 -2.34 1.76 8.20 0.00 -1.09 -5.00 105.19 106.37 2k94 n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k94 n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k94 n HIS 75 N -0.03 -4.56 -1.27 1.61 1.44 0.32 -4.44 115.22 108.30 2k94 n HIS 75 Ca 0.00 2.37 -0.30 0.00 -2.01 0.00 0.00 57.72 57.78 2k94 n HIS 75 Cb 0.46 -3.57 -0.15 0.00 0.12 0.00 0.00 29.99 26.85 2k94 n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2k94 n GLN 76 N 0.39 0.00 0.00 -1.40 1.13 -1.26 -4.96 117.38 111.28 2k94 n GLN 76 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k94 n GLN 76 Cb 0.00 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62