#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 -0.09 0.44 -2.24 -1.26 -4.67 114.28 106.46 2k94 n THR 2 Ca 0.00 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2k94 n THR 2 Cb 0.00 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.74 0.20 -0.83 2.28 -0.00 -1.95 0.15 117.51 115.63 2k94 h ILE 3 Ca -0.49 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 64.41 2k94 h ILE 3 Cb 1.35 0.20 -0.05 0.00 -0.00 0.00 0.00 36.82 38.32 2k94 h ILE 3 CO 0.34 0.00 0.54 1.05 -0.00 0.00 0.00 178.15 180.08 2k94 h GLU 4 N -0.31 0.97 -1.31 2.19 4.11 -1.88 -1.21 114.58 117.14 2k94 h GLU 4 Ca 0.15 -0.06 0.38 0.00 0.07 0.00 0.00 59.36 59.90 2k94 h GLU 4 Cb 0.56 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2k94 h GLU 4 CO -0.51 0.65 1.15 1.49 0.07 0.00 0.00 179.01 181.86 2k94 h GLU 5 N 1.00 0.00 0.11 1.06 4.57 -0.97 1.32 114.58 121.67 2k94 h GLU 5 Ca 0.33 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.15 2k94 h GLU 5 Cb 0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2k94 h GLU 5 CO -0.10 0.00 -2.05 0.54 -1.18 0.00 0.00 179.01 176.21 2k94 n ARG 6 N -3.67 0.75 -0.05 1.92 1.74 -0.47 -4.01 116.66 112.87 2k94 n ARG 6 Ca 0.29 0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 57.50 2k94 n ARG 6 Cb 1.56 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 31.25 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 0.06 1.25 -0.75 1.55 2.07 0.13 -3.04 116.25 117.52 2k94 h VAL 7 Ca -0.44 -0.81 0.16 0.00 0.82 0.00 0.00 66.70 66.43 2k94 h VAL 7 Cb 2.02 1.47 -0.14 0.00 -1.52 0.00 0.00 31.29 33.13 2k94 h VAL 7 CO 0.07 0.24 -0.09 0.11 0.02 0.00 0.00 177.57 177.92 2k94 h LYS 8 N 0.03 0.04 0.00 1.57 1.79 0.66 0.37 116.57 121.03 2k94 h LYS 8 Ca 0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2k94 h LYS 8 Cb 0.36 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2k94 h LYS 8 CO 0.01 0.03 0.00 1.63 -1.08 0.00 0.00 179.45 180.03 2k94 n LYS 9 N -5.43 0.00 -0.38 3.15 4.01 -1.15 0.86 118.16 119.22 2k94 n LYS 9 Ca 0.12 0.15 0.32 0.00 -0.51 0.00 0.00 58.31 58.39 2k94 n LYS 9 Cb 0.43 -0.74 0.58 0.00 -0.51 0.00 0.00 35.03 34.80 2k94 n LYS 9 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2k94 h ILE 10 N 0.00 0.14 0.00 -0.18 2.04 -1.58 0.30 117.51 118.22 2k94 h ILE 10 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 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 0.02 0.00 -0.38 0.00 0.00 0.00 178.15 177.79 2k94 n ILE 11 N -4.96 0.00 -0.43 -0.67 2.08 0.13 0.46 119.36 115.97 2k94 n ILE 11 Ca 0.36 0.79 0.36 0.00 0.56 0.00 0.00 62.75 64.82 2k94 n ILE 11 Cb 1.26 -1.75 0.64 0.00 -0.75 0.00 0.00 39.64 39.04 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 1.42 0.98 7.39 0.00 0.87 1.39 103.07 115.12 2k94 h GLY 12 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2k94 h GLY 12 CO 0.00 -0.44 0.23 1.46 0.00 0.00 0.00 176.54 177.79 2k94 h GLN 13 N 0.09 0.79 0.74 4.80 7.50 -0.31 1.02 115.11 129.74 2k94 h GLN 13 Ca 0.82 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 59.80 2k94 h GLN 13 Cb 2.50 -0.13 0.01 0.00 0.05 0.00 0.00 27.48 29.91 2k94 h GLN 13 CO -0.46 0.68 -0.36 1.96 -1.50 0.00 0.00 178.83 179.16 2k94 h GLN 14 N 0.72 -0.96 -0.96 1.46 4.20 0.70 -2.89 115.11 117.39 2k94 h GLN 14 Ca 0.18 0.07 0.14 0.00 0.06 0.00 0.00 58.65 59.10 2k94 h GLN 14 Cb 0.18 0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 2k94 h GLN 14 CO -0.02 -0.62 0.61 -0.07 -0.67 0.00 0.00 178.83 178.06 2k94 h LEU 15 N -1.13 0.79 0.00 1.46 4.07 -1.30 -3.46 115.31 115.75 2k94 h LEU 15 Ca -0.10 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2k94 h LEU 15 Cb 0.78 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2k94 h LEU 15 CO 0.17 0.39 0.00 0.61 -1.08 0.00 0.00 178.44 178.53 2k94 n GLY 16 N -1.38 1.93 3.19 0.83 0.00 0.48 -5.10 105.19 105.14 2k94 n GLY 16 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 1.04 1.05 1.61 -7.23 0.32 -4.99 120.40 110.20 2k94 s VAL 17 Ca 0.00 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 2k94 s VAL 17 Cb 0.00 -1.37 0.16 0.00 0.56 0.00 0.00 36.38 35.73 2k94 s VAL 17 CO 0.00 -0.50 0.74 2.29 -0.31 0.00 0.00 175.10 177.32 2k94 n LYS 18 N 0.61 -1.29 0.16 4.82 2.85 -1.26 -3.20 118.16 120.85 2k94 n LYS 18 Ca -0.16 -0.34 0.13 0.00 -1.05 0.00 0.00 58.31 56.89 2k94 n LYS 18 Cb 0.57 -2.08 0.51 0.00 -0.65 0.00 0.00 35.03 33.38 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 -2.12 0.00 0.14 -1.58 -0.00 -1.89 -2.87 115.11 106.78 2k94 h GLN 19 Ca -0.51 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 57.84 2k94 h GLN 19 Cb 1.31 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.82 2k94 h GLN 19 CO 0.42 0.00 -1.28 1.49 -0.00 0.00 0.00 178.83 179.46 2k94 h GLU 20 N 0.00 0.58 -0.48 0.06 4.81 -1.95 -3.25 114.58 114.36 2k94 h GLU 20 Ca 0.00 -0.81 -0.04 0.00 -0.13 0.00 0.00 59.36 58.38 2k94 h GLU 20 Cb 0.48 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2k94 h GLU 20 CO 0.00 1.37 0.14 1.49 -0.73 0.00 0.00 179.01 181.28 2k94 h GLU 21 N 0.24 0.71 -6.22 1.92 4.22 -1.85 -3.41 114.58 110.19 2k94 h GLU 21 Ca -0.19 -0.12 -0.55 0.00 0.08 0.00 0.00 59.36 58.57 2k94 h GLU 21 Cb 1.95 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 31.10 2k94 h GLU 21 CO 0.24 0.63 1.32 0.08 -2.18 0.00 0.00 179.01 179.10 2k94 s VAL 22 N -5.23 3.07 0.04 0.32 1.01 -1.19 -4.97 120.40 113.46 2k94 s VAL 22 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2k94 s VAL 22 Cb 0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2k94 s VAL 22 CO 0.78 -0.02 -0.03 0.42 0.00 0.00 0.00 175.10 176.25 2k94 s THR 23 N 5.89 3.90 -0.92 3.92 -4.23 -1.26 -4.99 115.64 117.95 2k94 s THR 23 Ca 0.92 -0.84 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 2k94 s THR 23 Cb -0.38 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 70.81 2k94 s THR 23 CO 0.38 0.27 1.47 0.59 -0.54 0.00 0.00 174.62 176.79 2k94 n ASN 24 N 1.08 0.09 -0.12 3.99 4.13 -1.26 -2.53 115.26 120.64 2k94 n ASN 24 Ca -0.13 0.52 -0.16 0.00 1.68 0.00 0.00 54.58 56.49 2k94 n ASN 24 Cb 0.52 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 38.09 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 -1.60 1.51 -3.66 6.41 5.15 -1.26 -3.74 115.26 118.06 2k94 n ASN 25 Ca 0.03 -0.11 -0.19 0.00 -0.60 0.00 0.00 54.58 53.71 2k94 n ASN 25 Cb 0.16 -0.06 0.14 0.00 -0.53 0.00 0.00 39.78 39.49 2k94 n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k94 n ALA 26 N -3.13 -1.01 -2.30 5.20 0.00 -1.05 -4.93 120.51 113.29 2k94 n ALA 26 Ca -0.43 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 51.81 2k94 n ALA 26 Cb 1.03 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.93 1.57 -0.08 0.00 0.15 -1.26 -4.02 113.70 108.13 2k94 s SER 27 Ca 0.37 -1.23 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 2k94 s SER 27 Cb -0.06 0.06 -0.26 0.00 -1.71 0.00 0.00 66.02 64.05 2k94 s SER 27 CO 0.36 -0.56 0.51 -0.26 1.20 0.00 0.00 173.24 174.50 2k94 h PHE 28 N 2.53 0.43 0.00 3.44 0.04 1.38 -3.21 116.94 121.55 2k94 h PHE 28 Ca -0.38 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.06 2k94 h PHE 28 Cb 1.22 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 2k94 h PHE 28 CO 0.55 1.59 -1.09 0.28 -0.60 0.00 0.00 178.31 179.05 2k94 n VAL 29 N -3.42 0.09 0.01 -0.55 0.31 -1.19 -0.78 118.33 112.80 2k94 n VAL 29 Ca -0.27 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 2k94 n VAL 29 Cb 1.05 -0.81 0.05 0.00 -0.91 0.00 0.00 33.84 33.22 2k94 n VAL 29 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k94 n GLU 30 N -2.24 1.43 0.00 5.55 2.13 -1.26 -1.91 120.64 124.34 2k94 n GLU 30 Ca -0.02 -0.96 0.00 0.00 0.66 0.00 0.00 57.16 56.84 2k94 n GLU 30 Cb 0.54 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.87 2k94 n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k94 n ASP 31 N 0.20 0.00 -0.02 4.31 2.03 -1.26 -4.58 116.55 117.23 2k94 n ASP 31 Ca 0.19 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.52 2k94 n ASP 31 Cb 0.78 0.03 -0.09 0.00 -0.72 0.00 0.00 41.12 41.11 2k94 n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k94 n LEU 32 N -1.11 0.00 0.00 -2.67 4.32 -1.21 -4.94 117.00 111.40 2k94 n LEU 32 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k94 n LEU 32 Cb 0.00 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2k94 n LEU 32 CO 0.00 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 2k94 n GLY 33 N 1.97 2.61 1.89 -0.72 0.00 -0.79 -4.78 105.19 105.38 2k94 n GLY 33 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2k94 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k94 n ALA 34 N 0.00 -1.52 -0.55 4.61 0.00 0.04 -4.51 120.51 118.58 2k94 n ALA 34 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 2k94 n ALA 34 Cb 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 19.45 19.23 2k94 n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k94 n ASP 35 N 1.27 -2.95 0.00 0.00 5.68 -1.26 -4.04 116.55 115.24 2k94 n ASP 35 Ca -0.01 -0.36 0.12 0.00 -0.50 0.00 0.00 54.79 54.04 2k94 n ASP 35 Cb 0.26 -0.76 0.66 0.00 -1.14 0.00 0.00 41.12 40.14 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 -1.06 0.00 -0.09 -1.12 3.41 -1.26 -1.02 113.62 112.48 2k94 n SER 36 Ca 0.05 -0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 58.04 2k94 n SER 36 Cb 0.36 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.09 0.15 -0.10 1.04 4.77 -1.26 -4.22 117.00 116.30 2k94 n LEU 37 Ca 0.16 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2k94 n LEU 37 Cb 0.11 0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 2k94 n LEU 37 CO 0.14 0.47 -0.75 -0.67 -1.33 0.00 0.00 177.39 175.26 2k94 n ASP 38 N -2.80 1.92 -0.39 -1.43 4.64 -1.04 -3.00 116.55 114.45 2k94 n ASP 38 Ca -0.30 0.36 0.31 0.00 -1.38 0.00 0.00 54.79 53.78 2k94 n ASP 38 Cb 1.13 -0.91 0.60 0.00 -1.04 0.00 0.00 41.12 40.90 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 -0.82 0.31 0.00 5.18 2.02 -1.22 0.27 112.91 118.65 2k94 h THR 39 Ca -0.43 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2k94 h THR 39 Cb 1.48 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2k94 h THR 39 CO -0.20 0.04 -0.02 0.58 0.37 0.00 0.00 175.52 176.29 2k94 h VAL 40 N 0.21 0.00 -1.72 3.16 2.07 -1.73 -3.17 116.25 115.07 2k94 h VAL 40 Ca 0.71 -0.36 0.50 0.00 0.82 0.00 0.00 66.70 68.37 2k94 h VAL 40 Cb 2.12 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 2k94 h VAL 40 CO -0.34 0.00 1.34 -0.62 0.02 0.00 0.00 177.57 177.98 2k94 n GLU 41 N -3.00 0.00 0.20 1.57 1.02 -0.87 0.17 120.64 119.73 2k94 n GLU 41 Ca -0.00 1.04 -0.08 0.00 -0.02 0.00 0.00 57.16 58.09 2k94 n GLU 41 Cb 0.01 -2.43 -0.04 0.00 -0.02 0.00 0.00 31.44 28.96 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 -0.45 -0.14 -4.62 5.85 -0.58 -1.77 115.31 113.59 2k94 h LEU 42 Ca 0.82 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.59 2k94 h LEU 42 Cb 3.49 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 44.60 2k94 h LEU 42 CO -0.01 -0.18 -0.11 0.58 -0.34 0.00 0.00 178.44 178.38 2k94 h VAL 43 N -0.83 0.67 -0.09 1.05 2.07 -0.24 0.12 116.25 118.99 2k94 h VAL 43 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2k94 h VAL 43 Cb 0.41 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2k94 h VAL 43 CO 0.09 0.00 -0.25 -0.03 0.02 0.00 0.00 177.57 177.40 2k94 h MET 44 N -0.13 -0.23 0.03 1.57 4.05 -1.02 0.24 114.93 119.45 2k94 h MET 44 Ca 0.09 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2k94 h MET 44 Cb 0.26 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.06 2k94 h MET 44 CO -0.22 -0.15 -0.53 0.00 0.23 0.00 0.00 176.91 176.24 2k94 h ALA 45 N -0.88 -0.96 -0.98 0.39 0.00 -1.14 -2.11 119.26 113.58 2k94 h ALA 45 Ca 0.02 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2k94 h ALA 45 Cb 0.30 0.94 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2k94 h ALA 45 CO -0.21 -1.11 -0.54 -0.07 0.00 0.00 0.00 179.25 177.32 2k94 h LEU 46 N -0.68 -1.97 -0.98 0.00 4.07 -0.41 1.44 115.31 116.79 2k94 h LEU 46 Ca 0.01 0.32 0.31 0.00 0.08 0.00 0.00 57.88 58.60 2k94 h LEU 46 Cb 0.72 0.90 -0.15 0.00 1.08 0.00 0.00 40.66 43.21 2k94 h LEU 46 CO -0.34 -0.25 0.49 -0.33 -1.08 0.00 0.00 178.44 176.93 2k94 h GLU 47 N -0.01 0.25 0.11 1.13 5.08 0.13 0.82 114.58 122.08 2k94 h GLU 47 Ca 0.21 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.29 2k94 h GLU 47 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k94 h GLU 47 CO -0.94 0.17 -1.19 1.49 -1.00 0.00 0.00 179.01 177.54 2k94 h GLU 48 N 0.26 0.27 -0.92 2.33 4.81 0.19 1.44 114.58 122.96 2k94 h GLU 48 Ca 0.71 -0.43 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 2k94 h GLU 48 Cb 1.62 0.16 -0.14 0.00 0.63 0.00 0.00 28.75 31.02 2k94 h GLU 48 CO -0.64 1.19 -0.42 -1.91 -0.73 0.00 0.00 179.01 176.50 2k94 n GLU 49 N -3.55 -0.28 -0.62 1.92 2.13 0.34 -0.76 120.64 119.81 2k94 n GLU 49 Ca -0.08 1.42 0.04 0.00 0.66 0.00 0.00 57.16 59.20 2k94 n GLU 49 Cb 0.99 -2.09 0.20 0.00 0.27 0.00 0.00 31.44 30.81 2k94 n GLU 49 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k94 n PHE 50 N -5.30 0.26 -3.38 4.31 7.35 -1.12 -5.02 117.46 114.57 2k94 n PHE 50 Ca 0.07 -1.49 -0.23 0.00 -0.76 0.00 0.00 57.45 55.03 2k94 n PHE 50 Cb 0.33 -0.30 0.02 0.00 0.35 0.00 0.00 39.48 39.88 2k94 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k94 n ASP 51 N -1.13 -5.93 -4.04 -2.13 9.92 0.06 -4.99 116.55 108.29 2k94 n ASP 51 Ca 0.22 0.07 -0.11 0.00 -0.53 0.00 0.00 54.79 54.44 2k94 n ASP 51 Cb 0.77 -1.60 -0.08 0.00 -0.64 0.00 0.00 41.12 39.57 2k94 n ASP 51 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k94 s THR 52 N -1.27 0.00 -0.63 -3.53 -1.32 0.48 -4.98 115.64 104.40 2k94 s THR 52 Ca 0.23 -1.73 0.05 0.00 -1.21 0.00 0.00 61.69 59.02 2k94 s THR 52 Cb -0.02 -2.38 0.17 0.00 -1.51 0.00 0.00 72.50 68.75 2k94 s THR 52 CO 0.51 0.00 0.45 -0.70 -2.21 0.00 0.00 174.62 172.67 2k94 s GLU 53 N -4.02 2.10 -0.33 7.08 2.56 -1.26 -4.59 118.70 120.24 2k94 s GLU 53 Ca 0.32 -3.04 -0.32 0.00 0.00 0.00 0.00 54.97 51.93 2k94 s GLU 53 Cb 0.03 -2.97 -0.09 0.00 2.00 0.00 0.00 34.13 33.10 2k94 s GLU 53 CO 0.12 -1.30 2.23 1.51 -0.56 0.00 0.00 175.26 177.26 2k94 n ILE 54 N 2.22 0.22 -1.50 -3.70 0.00 -1.26 -4.92 119.36 110.42 2k94 n ILE 54 Ca 0.21 -0.36 -0.31 0.00 0.00 0.00 0.00 62.75 62.29 2k94 n ILE 54 Cb 0.38 -2.02 0.06 0.00 0.00 0.00 0.00 39.64 38.06 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 6.49 2.68 0.42 9.51 0.04 -1.26 -4.86 135.00 148.01 2k94 s PRO 55 Ca 1.06 1.10 0.29 0.00 0.04 0.00 0.00 61.00 63.49 2k94 s PRO 55 Cb -0.64 -1.95 1.46 0.00 0.04 0.00 0.00 34.50 33.41 2k94 s PRO 55 CO 0.43 -1.31 1.88 -0.44 0.04 0.00 0.00 177.00 177.60 2k94 h ASP 56 N -0.73 0.00 0.32 6.66 3.32 -1.96 -1.32 116.42 122.71 2k94 h ASP 56 Ca -0.44 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.31 2k94 h ASP 56 Cb 1.22 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.80 2k94 h ASP 56 CO 0.54 0.00 -1.31 -0.33 -1.72 0.00 0.00 179.24 176.42 2k94 h GLU 57 N 0.00 0.49 -0.35 3.56 5.08 -1.99 -3.19 114.58 118.18 2k94 h GLU 57 Ca 0.00 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2k94 h GLU 57 Cb 0.15 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k94 h GLU 57 CO 0.00 1.34 0.00 -1.91 -1.00 0.00 0.00 179.01 177.44 2k94 n GLU 58 N -3.70 1.96 -0.88 2.33 0.00 -0.60 -4.16 120.64 115.60 2k94 n GLU 58 Ca -0.13 -1.48 -0.18 0.00 0.00 0.00 0.00 57.16 55.37 2k94 n GLU 58 Cb 1.03 -1.37 0.07 0.00 0.00 0.00 0.00 31.44 31.17 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k94 n ALA 59 N 0.70 4.96 -0.01 4.31 0.00 -0.61 -3.88 120.51 125.97 2k94 n ALA 59 Ca 0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 53.44 51.70 2k94 n ALA 59 Cb 0.37 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.11 1.24 -1.75 0.00 2.13 -1.26 -4.72 120.64 116.17 2k94 n GLU 60 Ca 0.36 0.01 -0.35 0.00 0.66 0.00 0.00 57.16 57.83 2k94 n GLU 60 Cb 0.82 -1.05 0.01 0.00 0.27 0.00 0.00 31.44 31.49 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 -2.41 2.63 -1.62 5.31 4.01 -1.25 -4.23 118.16 120.59 2k94 n LYS 61 Ca -0.04 -3.12 0.03 0.00 -0.51 0.00 0.00 58.31 54.66 2k94 n LYS 61 Cb 0.55 -2.22 0.02 0.00 -0.51 0.00 0.00 35.03 32.87 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 -0.11 0.14 0.21 -0.18 5.41 -1.26 -2.83 119.36 120.74 2k94 n ILE 62 Ca 0.52 -1.14 0.11 0.00 1.00 0.00 0.00 62.75 63.25 2k94 n ILE 62 Cb 0.35 1.00 -0.02 0.00 -0.71 0.00 0.00 39.64 40.26 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 0.33 0.38 -4.50 1.39 5.66 -1.26 -4.81 114.28 111.47 2k94 n THR 63 Ca 0.04 -0.46 -0.25 0.00 -3.05 0.00 0.00 64.05 60.33 2k94 n THR 63 Cb 1.08 -0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.65 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 -2.40 0.00 0.00 1.09 -2.24 -1.26 0.55 114.28 110.01 2k94 n THR 64 Ca -0.00 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 2k94 n THR 64 Cb 0.52 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.91 0.00 -0.36 2.28 0.31 -1.26 -2.33 118.33 116.07 2k94 n VAL 65 Ca -0.06 0.98 -0.04 0.00 -0.01 0.00 0.00 64.34 65.21 2k94 n VAL 65 Cb 0.60 -1.89 -0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.80 -0.27 -0.34 5.55 0.00 -1.25 0.10 117.38 120.37 2k94 n GLN 66 Ca 0.00 1.38 0.05 0.00 -0.00 0.00 0.00 57.00 58.44 2k94 n GLN 66 Cb 0.00 -2.05 0.13 0.00 0.00 0.00 0.00 30.24 28.32 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k94 n ALA 67 N -3.46 0.21 0.33 1.69 0.00 -1.24 -0.13 120.51 117.91 2k94 n ALA 67 Ca 0.07 1.03 -0.16 0.00 0.00 0.00 0.00 53.44 54.38 2k94 n ALA 67 Cb 0.32 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.07 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 1.86 -0.83 -1.10 0.00 0.00 0.11 -2.30 119.26 117.00 2k94 h ALA 68 Ca 0.45 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.47 2k94 h ALA 68 Cb 0.68 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2k94 h ALA 68 CO -0.97 -0.89 0.91 0.82 0.00 0.00 0.00 179.25 179.13 2k94 h ILE 69 N -0.98 0.27 -0.36 0.00 2.04 0.38 0.88 117.51 119.73 2k94 h ILE 69 Ca -0.08 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2k94 h ILE 69 Cb 0.68 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2k94 h ILE 69 CO 0.14 0.00 -0.07 -0.78 0.00 0.00 0.00 178.15 177.44 2k94 h ASP 70 N 0.00 0.69 -0.37 1.72 1.82 0.05 0.83 116.42 121.16 2k94 h ASP 70 Ca 0.52 -0.35 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2k94 h ASP 70 Cb 2.35 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 42.16 2k94 h ASP 70 CO -0.01 0.88 0.03 0.22 -1.61 0.00 0.00 179.24 178.76 2k94 h TYR 71 N 0.48 0.67 0.00 0.28 3.20 0.90 -2.31 116.97 120.19 2k94 h TYR 71 Ca 0.09 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k94 h TYR 71 Cb 0.57 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2k94 h TYR 71 CO 0.05 0.70 0.00 -0.89 -1.64 0.00 0.00 178.16 176.37 2k94 n ILE 72 N -4.53 0.55 0.03 1.81 2.08 -0.75 -0.75 119.36 117.80 2k94 n ILE 72 Ca -0.01 -0.15 -0.01 0.00 0.56 0.00 0.00 62.75 63.13 2k94 n ILE 72 Cb 0.25 -0.67 -0.01 0.00 -0.75 0.00 0.00 39.64 38.46 2k94 n ILE 72 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2k94 h ASN 73 N 0.00 -0.07 0.00 4.38 2.35 0.13 -3.42 115.58 118.95 2k94 h ASN 73 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2k94 h ASN 73 Cb 0.63 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2k94 h ASN 73 CO 0.00 -0.03 -1.17 0.61 -1.65 0.00 0.00 177.43 175.18 2k94 n GLY 74 N -0.06 -0.14 1.66 2.83 0.00 -1.13 -5.04 105.19 103.31 2k94 n GLY 74 Ca -0.01 -0.06 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 -4.28 -2.16 1.61 -0.00 0.07 -4.89 115.22 103.67 2k94 n HIS 75 Ca -0.03 2.23 0.00 0.00 -0.00 0.00 0.00 57.72 59.92 2k94 n HIS 75 Cb 0.38 -3.45 0.00 0.00 -0.00 0.00 0.00 29.99 26.92 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 0.42 0.00 0.00 1.57 1.13 -1.26 -5.08 117.38 114.16 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 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2k94 n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62