#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 1.93 -0.33 6.66 -2.24 -1.26 -4.82 114.28 114.22 2k94 n THR 2 Ca 0.00 -0.48 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 2k94 n THR 2 Cb 0.00 -1.59 0.02 0.00 -2.10 0.00 0.00 70.33 66.65 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 2.61 0.05 -0.99 2.28 -0.00 -1.94 1.17 117.51 120.69 2k94 h ILE 3 Ca -0.46 0.00 0.18 0.00 -0.00 0.00 0.00 64.86 64.58 2k94 h ILE 3 Cb 1.28 0.05 -0.10 0.00 -0.00 0.00 0.00 36.82 38.05 2k94 h ILE 3 CO 0.64 0.00 0.61 1.05 -0.00 0.00 0.00 178.15 180.45 2k94 h GLU 4 N -0.06 0.73 -1.37 2.19 4.11 -1.89 0.19 114.58 118.48 2k94 h GLU 4 Ca 0.29 -0.04 0.40 0.00 0.07 0.00 0.00 59.36 60.08 2k94 h GLU 4 Cb 0.57 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2k94 h GLU 4 CO -0.89 0.48 1.14 1.49 0.07 0.00 0.00 179.01 181.30 2k94 h GLU 5 N 0.75 0.00 0.05 1.06 4.22 0.11 0.73 114.58 121.50 2k94 h GLU 5 Ca 0.55 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.61 2k94 h GLU 5 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2k94 h GLU 5 CO -0.33 0.00 -2.29 0.54 -2.18 0.00 0.00 179.01 174.74 2k94 n ARG 6 N -3.77 0.69 -0.05 1.92 1.74 0.65 -4.30 116.66 113.54 2k94 n ARG 6 Ca 0.30 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 2k94 n ARG 6 Cb 1.56 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 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 0.03 0.98 -0.77 1.55 2.07 0.59 -2.60 116.25 118.10 2k94 h VAL 7 Ca -0.52 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.06 2k94 h VAL 7 Cb 1.95 0.74 -0.14 0.00 -1.52 0.00 0.00 31.29 32.32 2k94 h VAL 7 CO -0.02 0.04 -0.29 0.11 0.02 0.00 0.00 177.57 177.43 2k94 h LYS 8 N 0.22 -0.05 0.00 1.57 1.79 -0.19 0.32 116.57 120.23 2k94 h LYS 8 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2k94 h LYS 8 Cb 0.04 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2k94 h LYS 8 CO -0.07 -0.04 0.00 1.17 -1.08 0.00 0.00 179.45 179.43 2k94 n LYS 9 N -5.49 0.00 -0.34 3.15 0.00 -0.98 0.68 118.16 115.19 2k94 n LYS 9 Ca 0.09 0.21 0.19 0.00 0.00 0.00 0.00 58.31 58.80 2k94 n LYS 9 Cb 0.39 -0.80 0.36 0.00 0.00 0.00 0.00 35.03 34.99 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 0.00 0.00 3.15 2.04 -1.54 0.92 117.51 122.08 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 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 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 -5.45 0.00 -0.27 -0.67 2.08 0.11 -0.50 119.36 114.66 2k94 n ILE 11 Ca 0.27 1.04 0.25 0.00 0.56 0.00 0.00 62.75 64.87 2k94 n ILE 11 Cb 0.89 -1.86 0.59 0.00 -0.75 0.00 0.00 39.64 38.51 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 0.70 0.00 7.39 0.00 0.10 -2.52 103.07 108.75 2k94 h GLY 12 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2k94 h GLY 12 CO 0.00 -0.05 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 2k94 n GLN 13 N -4.46 0.00 -0.34 4.80 3.00 0.31 0.46 117.38 121.15 2k94 n GLN 13 Ca 0.22 0.50 0.05 0.00 -0.01 0.00 0.00 57.00 57.77 2k94 n GLN 13 Cb 0.90 -1.37 0.13 0.00 0.00 0.00 0.00 30.24 29.90 2k94 n GLN 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2k94 n GLN 14 N -1.84 -0.09 0.28 -1.09 6.02 0.35 0.19 117.38 121.20 2k94 n GLN 14 Ca 0.00 1.45 -0.17 0.00 -0.01 0.00 0.00 57.00 58.27 2k94 n GLN 14 Cb 0.00 -2.16 -0.08 0.00 1.02 0.00 0.00 30.24 29.01 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 -1.03 0.00 1.08 -0.00 -1.22 -3.47 115.31 110.66 2k94 h LEU 15 Ca 0.44 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.40 2k94 h LEU 15 Cb 0.67 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2k94 h LEU 15 CO -0.96 -0.56 0.00 0.61 -0.00 0.00 0.00 178.44 177.53 2k94 n GLY 16 N -1.50 0.55 3.28 0.83 0.00 0.17 -5.11 105.19 103.41 2k94 n GLY 16 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.83 0.06 1.06 1.61 -7.23 0.60 -5.00 120.40 110.67 2k94 s VAL 17 Ca 0.00 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 59.53 2k94 s VAL 17 Cb 0.00 -0.82 0.19 0.00 0.56 0.00 0.00 36.38 36.31 2k94 s VAL 17 CO 0.00 -0.28 0.84 2.29 -0.31 0.00 0.00 175.10 177.64 2k94 n LYS 18 N 0.86 -1.49 0.24 4.82 2.85 -1.26 -3.06 118.16 121.11 2k94 n LYS 18 Ca -0.20 -0.39 0.09 0.00 -1.05 0.00 0.00 58.31 56.76 2k94 n LYS 18 Cb 0.58 -2.13 0.60 0.00 -0.65 0.00 0.00 35.03 33.43 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 -2.23 0.00 -0.18 -1.58 -0.00 -1.86 -2.14 115.11 107.12 2k94 h GLN 19 Ca -0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 57.99 2k94 h GLN 19 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.78 2k94 h GLN 19 CO 0.43 0.19 -0.46 0.93 -0.00 0.00 0.00 178.83 179.92 2k94 h GLU 20 N 0.00 0.46 -0.77 0.06 5.08 -1.93 -2.91 114.58 114.56 2k94 h GLU 20 Ca -0.00 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2k94 h GLU 20 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2k94 h GLU 20 CO 0.02 0.83 0.51 1.49 -1.00 0.00 0.00 179.01 180.87 2k94 h GLU 21 N 0.37 1.00 -6.57 2.33 4.22 -1.71 -3.41 114.58 110.81 2k94 h GLU 21 Ca 0.02 -0.06 -0.53 0.00 0.08 0.00 0.00 59.36 58.87 2k94 h GLU 21 Cb 0.96 -0.23 0.03 0.00 0.50 0.00 0.00 28.75 30.01 2k94 h GLU 21 CO 0.08 0.66 0.73 0.08 -2.18 0.00 0.00 179.01 178.39 2k94 s VAL 22 N -5.86 3.21 0.14 0.32 1.01 -1.10 -5.02 120.40 113.10 2k94 s VAL 22 Ca -0.11 0.89 0.09 0.00 0.00 0.00 0.00 61.98 62.85 2k94 s VAL 22 Cb 0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2k94 s VAL 22 CO 0.78 0.08 -0.21 0.42 0.00 0.00 0.00 175.10 176.17 2k94 s THR 23 N 0.96 1.90 -0.67 3.92 -4.23 -1.26 -5.00 115.64 111.26 2k94 s THR 23 Ca 0.64 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 2k94 s THR 23 Cb -0.38 -1.79 0.10 0.00 1.34 0.00 0.00 72.50 71.77 2k94 s THR 23 CO 0.32 -0.16 0.85 0.20 -0.54 0.00 0.00 174.62 175.29 2k94 s ASN 24 N -2.33 6.25 0.00 3.99 -0.87 -1.26 -3.76 114.94 116.96 2k94 s ASN 24 Ca 0.13 -1.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.02 2k94 s ASN 24 Cb -0.08 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2k94 s ASN 24 CO 0.06 -1.21 0.00 -3.20 -2.57 0.00 0.00 177.10 170.19 2k94 n ASN 25 N 6.76 0.00 -3.83 -1.22 5.15 -1.26 -4.89 115.26 115.96 2k94 n ASN 25 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2k94 n ASN 25 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 0.00 0.00 -3.01 5.20 0.00 -1.26 -5.01 120.51 116.43 2k94 n ALA 26 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2k94 n ALA 26 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.05 -0.08 0.00 0.00 0.15 -1.26 -4.59 113.70 105.86 2k94 s SER 27 Ca 0.00 -0.20 0.18 0.00 0.70 0.00 0.00 55.95 56.63 2k94 s SER 27 Cb 0.00 0.32 0.46 0.00 -1.71 0.00 0.00 66.02 65.09 2k94 s SER 27 CO 0.00 -0.55 1.38 0.49 1.20 0.00 0.00 173.24 175.76 2k94 n PHE 28 N 0.79 0.67 -0.02 3.44 3.01 1.30 -2.15 117.46 124.49 2k94 n PHE 28 Ca -0.19 -0.43 -0.02 0.00 1.01 0.00 0.00 57.45 57.81 2k94 n PHE 28 Cb 0.58 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 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 1.17 0.35 -0.13 -4.37 0.31 -1.16 -2.29 118.33 112.21 2k94 n VAL 29 Ca 0.18 0.42 -0.26 0.00 -0.01 0.00 0.00 64.34 64.67 2k94 n VAL 29 Cb 0.53 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 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 -2.90 0.58 -0.09 5.55 4.71 -1.26 -2.43 120.64 124.79 2k94 n GLU 30 Ca -0.03 0.26 -0.02 0.00 -0.01 0.00 0.00 57.16 57.36 2k94 n GLU 30 Cb 0.10 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.02 2k94 n GLU 30 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2k94 n ASP 31 N -4.29 -0.23 0.09 1.62 8.00 -1.25 -1.76 116.55 118.73 2k94 n ASP 31 Ca -0.47 1.06 -0.23 0.00 0.71 0.00 0.00 54.79 55.86 2k94 n ASP 31 Cb 0.82 -0.39 -0.13 0.00 -0.02 0.00 0.00 41.12 41.40 2k94 n ASP 31 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2k94 h LEU 32 N 0.00 0.87 -1.12 0.64 -0.00 -1.69 -3.49 115.31 110.52 2k94 h LEU 32 Ca 0.03 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 2k94 h LEU 32 Cb 0.09 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2k94 h LEU 32 CO -0.20 1.62 0.00 0.61 -0.00 0.00 0.00 178.44 180.46 2k94 n GLY 33 N 1.41 0.67 3.42 0.83 0.00 -0.72 -5.02 105.19 105.78 2k94 n GLY 33 Ca -0.14 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.16 3.23 1.00 4.61 0.00 -0.97 -4.99 121.76 122.48 2k94 s ALA 34 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 49.81 2k94 s ALA 34 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 23.12 19.46 2k94 s ALA 34 CO 0.00 -2.59 -0.17 -0.40 0.00 0.00 0.00 175.76 172.60 2k94 n ASP 35 N 7.15 -2.72 0.00 0.00 5.68 -1.26 -3.86 116.55 121.54 2k94 n ASP 35 Ca -0.06 -0.20 0.06 0.00 -0.50 0.00 0.00 54.79 54.09 2k94 n ASP 35 Cb 0.44 -0.75 0.27 0.00 -1.14 0.00 0.00 41.12 39.95 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 -0.13 0.00 -0.01 -1.12 3.41 -1.26 -0.44 113.62 114.07 2k94 n SER 36 Ca 0.02 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 2k94 n SER 36 Cb 0.49 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.42 0.84 -0.05 1.04 4.77 -1.26 -3.68 117.00 117.23 2k94 n LEU 37 Ca 0.04 -0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 55.63 2k94 n LEU 37 Cb 0.12 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2k94 n LEU 37 CO 0.10 0.21 -0.85 -0.67 -1.33 0.00 0.00 177.39 174.85 2k94 n ASP 38 N -1.47 2.98 -0.11 -1.43 -0.08 -0.24 -4.21 116.55 111.99 2k94 n ASP 38 Ca 0.05 -0.04 -0.06 0.00 -1.51 0.00 0.00 54.79 53.23 2k94 n ASP 38 Cb 0.33 0.12 0.13 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 1.25 0.05 5.18 2.02 -0.86 -2.48 112.91 118.07 2k94 h THR 39 Ca -0.26 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 2k94 h THR 39 Cb 1.46 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2k94 h THR 39 CO -0.02 0.39 -0.02 0.58 0.37 0.00 0.00 175.52 176.81 2k94 h VAL 40 N 0.73 0.00 -1.60 3.16 2.07 -1.79 -2.42 116.25 116.40 2k94 h VAL 40 Ca 0.13 -0.03 0.46 0.00 0.82 0.00 0.00 66.70 68.08 2k94 h VAL 40 Cb 0.55 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 2k94 h VAL 40 CO 0.03 0.00 1.33 -0.33 0.02 0.00 0.00 177.57 178.63 2k94 h GLU 41 N -0.09 0.00 0.13 1.57 5.08 -1.73 1.19 114.58 120.73 2k94 h GLU 41 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k94 h GLU 41 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k94 h GLU 41 CO 0.01 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.21 2k94 h LEU 42 N 0.00 -0.15 -0.22 1.33 7.12 -1.32 -2.39 115.31 119.68 2k94 h LEU 42 Ca 0.76 -0.37 -0.11 0.00 0.13 0.00 0.00 57.88 58.29 2k94 h LEU 42 Cb 3.42 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 43.58 2k94 h LEU 42 CO -0.01 0.34 -0.30 0.58 -0.13 0.00 0.00 178.44 178.92 2k94 h VAL 43 N -0.69 1.33 -0.54 1.05 2.07 0.16 -2.82 116.25 116.81 2k94 h VAL 43 Ca -0.02 -1.50 0.11 0.00 0.82 0.00 0.00 66.70 66.11 2k94 h VAL 43 Cb 0.51 1.78 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 2k94 h VAL 43 CO 0.03 0.47 -0.08 0.24 0.02 0.00 0.00 177.57 178.24 2k94 h MET 44 N 0.28 0.04 -0.22 1.57 2.86 -0.04 0.46 114.93 119.88 2k94 h MET 44 Ca 0.02 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2k94 h MET 44 Cb 0.88 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2k94 h MET 44 CO 0.07 0.03 0.02 0.00 1.06 0.00 0.00 176.91 178.09 2k94 h ALA 45 N 1.53 1.63 0.00 6.32 0.00 -1.41 -0.44 119.26 126.89 2k94 h ALA 45 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k94 h ALA 45 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k94 h ALA 45 CO -0.52 0.28 -0.19 -0.07 0.00 0.00 0.00 179.25 178.74 2k94 h LEU 46 N 0.31 0.00 -0.10 0.00 3.38 0.04 0.45 115.31 119.39 2k94 h LEU 46 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2k94 h LEU 46 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k94 h LEU 46 CO 0.00 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 2k94 n GLU 47 N -3.31 0.08 -0.02 1.13 1.02 0.36 -3.56 120.64 116.33 2k94 n GLU 47 Ca 0.01 0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2k94 n GLU 47 Cb 0.43 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2k94 n GLU 47 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k94 n GLU 48 N -1.77 1.74 -0.23 3.49 2.13 -0.88 -0.42 120.64 124.70 2k94 n GLU 48 Ca 0.05 0.01 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2k94 n GLU 48 Cb 0.30 -1.11 0.12 0.00 0.27 0.00 0.00 31.44 31.02 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 0.07 -0.11 5.31 4.57 -0.18 -0.67 114.58 123.58 2k94 h GLU 49 Ca -0.12 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2k94 h GLU 49 Cb 1.23 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2k94 h GLU 49 CO -0.01 0.05 0.00 0.34 -1.18 0.00 0.00 179.01 178.21 2k94 n PHE 50 N -5.36 0.13 -2.81 0.92 7.35 -1.23 -5.03 117.46 111.42 2k94 n PHE 50 Ca 0.11 -0.11 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 2k94 n PHE 50 Cb 0.40 -0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.24 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 0.81 -7.98 -3.84 -2.13 2.03 -0.26 -5.06 116.55 100.12 2k94 n ASP 51 Ca 0.10 0.84 -0.09 0.00 0.52 0.00 0.00 54.79 56.16 2k94 n ASP 51 Cb 0.38 -5.36 -0.04 0.00 -0.72 0.00 0.00 41.12 35.39 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 -2.27 0.00 -0.72 5.18 -1.32 0.44 -4.96 115.64 112.00 2k94 s THR 52 Ca 0.17 -1.26 0.04 0.00 -1.21 0.00 0.00 61.69 59.43 2k94 s THR 52 Cb -0.05 -2.21 0.24 0.00 -1.51 0.00 0.00 72.50 68.97 2k94 s THR 52 CO 0.77 0.00 0.79 1.21 -2.21 0.00 0.00 174.62 175.19 2k94 n GLU 53 N -0.43 2.64 -1.39 7.08 2.13 -1.26 -4.54 120.64 124.87 2k94 n GLU 53 Ca -0.03 -4.62 -0.49 0.00 0.66 0.00 0.00 57.16 52.68 2k94 n GLU 53 Cb 0.61 -2.30 -0.13 0.00 0.27 0.00 0.00 31.44 29.89 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 1.18 0.01 -1.37 6.31 0.00 -1.26 -4.87 119.36 119.36 2k94 n ILE 54 Ca 0.27 -0.05 -0.29 0.00 0.00 0.00 0.00 62.75 62.67 2k94 n ILE 54 Cb 0.39 -0.69 0.13 0.00 0.00 0.00 0.00 39.64 39.47 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 7.50 1.39 0.00 9.51 0.04 -1.26 -4.91 135.00 147.27 2k94 s PRO 55 Ca 1.26 0.62 0.29 0.00 0.04 0.00 0.00 61.00 63.21 2k94 s PRO 55 Cb -1.28 -1.84 1.68 0.00 0.04 0.00 0.00 34.50 33.09 2k94 s PRO 55 CO 0.55 -2.10 2.07 -3.47 0.04 0.00 0.00 177.00 174.09 2k94 n ASP 56 N -3.76 0.00 0.02 6.66 -0.08 -1.26 -2.63 116.55 115.50 2k94 n ASP 56 Ca 0.07 -0.70 0.11 0.00 -1.51 0.00 0.00 54.79 52.76 2k94 n ASP 56 Cb 0.57 -0.08 -0.09 0.00 2.34 0.00 0.00 41.12 43.86 2k94 n ASP 56 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k94 n GLU 57 N -1.08 0.52 -0.06 -0.67 0.28 -1.26 -4.26 120.64 114.11 2k94 n GLU 57 Ca 0.20 -0.07 -0.12 0.00 -0.16 0.00 0.00 57.16 57.00 2k94 n GLU 57 Cb 0.14 -1.60 -0.14 0.00 1.43 0.00 0.00 31.44 31.26 2k94 n GLU 57 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k94 n GLU 58 N -2.24 0.67 -0.12 3.44 0.00 -1.08 -4.11 120.64 117.21 2k94 n GLU 58 Ca -0.01 0.17 0.27 0.00 0.00 0.00 0.00 57.16 57.59 2k94 n GLU 58 Cb 0.52 -1.65 0.61 0.00 0.00 0.00 0.00 31.44 30.92 2k94 n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k94 h ALA 59 N 0.71 2.67 -0.98 4.31 0.00 -1.69 0.97 119.26 125.25 2k94 h ALA 59 Ca -0.44 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 54.78 2k94 h ALA 59 Cb 2.08 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 19.77 2k94 h ALA 59 CO 0.04 -1.31 0.47 1.49 0.00 0.00 0.00 179.25 179.94 2k94 h GLU 60 N 0.00 0.18 -2.08 0.00 4.81 -1.79 0.20 114.58 115.90 2k94 h GLU 60 Ca 0.40 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.94 2k94 h GLU 60 Cb 2.15 -0.04 -0.35 0.00 0.63 0.00 0.00 28.75 31.13 2k94 h GLU 60 CO -0.00 0.12 0.08 1.63 -0.73 0.00 0.00 179.01 180.10 2k94 n LYS 61 N -5.17 3.83 -2.73 1.92 5.02 0.34 -4.68 118.16 116.69 2k94 n LYS 61 Ca 0.31 -4.53 -0.09 0.00 -2.02 0.00 0.00 58.31 51.98 2k94 n LYS 61 Cb 1.01 -2.31 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 2k94 n LYS 61 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k94 n ILE 62 N -0.29 0.47 0.13 -0.18 5.41 0.70 -3.86 119.36 121.74 2k94 n ILE 62 Ca 0.41 -2.53 0.01 0.00 1.00 0.00 0.00 62.75 61.64 2k94 n ILE 62 Cb 0.38 0.76 -0.00 0.00 -0.71 0.00 0.00 39.64 40.07 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 -0.20 0.00 -3.15 1.39 5.66 -1.26 -4.92 114.28 111.81 2k94 n THR 63 Ca 0.06 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2k94 n THR 63 Cb 0.81 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.62 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 -0.42 0.00 0.00 1.09 -2.24 -1.26 0.40 114.28 111.84 2k94 n THR 64 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2k94 n THR 64 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.34 2.28 0.31 -1.26 -3.38 118.33 115.94 2k94 n VAL 65 Ca 0.00 0.46 0.15 0.00 -0.01 0.00 0.00 64.34 64.94 2k94 n VAL 65 Cb 0.00 -1.39 0.30 0.00 -0.91 0.00 0.00 33.84 31.84 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 -1.94 -0.08 -0.01 5.55 0.00 -1.25 0.39 117.38 120.04 2k94 n GLN 66 Ca 0.00 1.49 -0.12 0.00 -0.00 0.00 0.00 57.00 58.37 2k94 n GLN 66 Cb 0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 30.24 27.82 2k94 n GLN 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k94 h ALA 67 N 1.99 -0.54 -1.00 1.69 0.00 -1.81 0.84 119.26 120.44 2k94 h ALA 67 Ca 0.61 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.69 2k94 h ALA 67 Cb 1.26 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 19.72 2k94 h ALA 67 CO -0.93 -0.90 0.62 0.00 0.00 0.00 0.00 179.25 178.04 2k94 h ALA 68 N 0.20 1.65 0.54 0.00 0.00 -0.08 0.18 119.26 121.75 2k94 h ALA 68 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k94 h ALA 68 Cb 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k94 h ALA 68 CO -0.41 0.03 -0.26 0.82 0.00 0.00 0.00 179.25 179.43 2k94 h ILE 69 N 0.83 0.16 -0.54 0.00 2.04 0.02 -0.82 117.51 119.20 2k94 h ILE 69 Ca 0.54 -0.47 0.16 0.00 1.00 0.00 0.00 64.86 66.09 2k94 h ILE 69 Cb 0.76 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2k94 h ILE 69 CO -0.32 0.03 0.55 -0.78 0.00 0.00 0.00 178.15 177.63 2k94 h ASP 70 N -1.12 0.00 0.15 1.72 3.58 0.12 1.35 116.42 122.21 2k94 h ASP 70 Ca -0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2k94 h ASP 70 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k94 h ASP 70 CO 0.12 0.00 -0.07 0.22 -2.88 0.00 0.00 179.24 176.63 2k94 h TYR 71 N 0.00 -0.19 0.00 0.28 3.20 -0.46 -3.29 116.97 116.51 2k94 h TYR 71 Ca 0.25 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2k94 h TYR 71 Cb 1.35 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 2k94 h TYR 71 CO 0.00 -0.12 -0.02 0.82 -1.64 0.00 0.00 178.16 177.20 2k94 h ILE 72 N -0.90 0.12 0.01 1.81 1.08 -0.25 -0.65 117.51 118.73 2k94 h ILE 72 Ca -0.02 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2k94 h ILE 72 Cb 0.15 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k94 h ILE 72 CO 0.03 0.02 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.30 2k94 h ASN 73 N 0.00 -0.27 0.00 1.72 -0.73 0.17 -3.42 115.58 113.05 2k94 h ASN 73 Ca -0.00 0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.15 2k94 h ASN 73 Cb 0.22 0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 2k94 h ASN 73 CO 0.00 -0.09 -0.12 0.61 -0.37 0.00 0.00 177.43 177.47 2k94 n GLY 74 N -1.08 0.61 2.53 1.57 0.00 -1.20 -4.98 105.19 102.65 2k94 n GLY 74 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 2.89 -4.38 1.61 -0.00 -0.26 -4.89 115.22 110.18 2k94 n HIS 75 Ca -0.11 -3.00 -0.28 0.00 0.46 0.00 0.00 57.72 54.78 2k94 n HIS 75 Cb 0.52 -2.40 -0.12 0.00 -0.12 0.00 0.00 29.99 27.86 2k94 n HIS 75 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 2k94 s GLN 76 N 2.05 1.52 0.00 1.57 -1.52 -1.26 -4.89 119.66 117.11 2k94 s GLN 76 Ca 0.57 -1.37 0.25 0.00 -1.95 0.00 0.00 55.36 52.87 2k94 s GLN 76 Cb 0.16 -1.93 1.52 0.00 -0.22 0.00 0.00 33.01 32.54 2k94 s GLN 76 CO -0.07 0.44 1.87 0.00 -0.25 0.00 0.00 175.29 177.28