#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4p n GLY 23 N 0.00 -1.52 3.33 0.23 0.00 -1.26 -5.06 105.19 100.91 2k4p n GLY 23 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 2k4p n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4p n LEU 24 N 0.00 -4.90 0.13 0.99 4.77 -1.26 -4.93 117.00 111.80 2k4p n LEU 24 Ca 0.00 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2k4p n LEU 24 Cb 0.00 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.46 2k4p n LEU 24 CO 0.00 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 2k4p n GLY 25 N -1.56 -0.85 3.26 -0.72 0.00 -1.26 -5.14 105.19 98.92 2k4p n GLY 25 Ca -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2k4p n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4p s GLU 26 N -1.72 0.43 0.00 1.61 2.56 -1.26 -5.01 118.70 115.31 2k4p s GLU 26 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 54.97 55.50 2k4p s GLU 26 Cb 0.00 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.32 2k4p s GLU 26 CO 0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 175.26 174.64 2k4p n ALA 27 N 2.98 0.00 -0.86 6.30 0.00 -1.26 -4.87 120.51 122.80 2k4p n ALA 27 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k4p n ALA 27 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2k4p n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4p n GLY 28 N 0.00 0.34 0.40 0.00 0.00 -1.26 -2.21 105.19 102.46 2k4p n GLY 28 Ca 0.00 0.68 0.20 0.00 0.00 0.00 0.00 46.02 46.90 2k4p n GLY 28 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2k4p h MET 29 N 0.00 0.41 0.00 1.61 4.05 -1.89 0.21 114.93 119.32 2k4p h MET 29 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2k4p h MET 29 Cb 0.00 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 2k4p h MET 29 CO 0.00 0.27 0.00 0.43 0.23 0.00 0.00 176.91 177.84 2k4p n SER 30 N -4.55 0.00 -0.13 1.39 7.64 -0.94 -3.28 113.62 113.75 2k4p n SER 30 Ca 0.21 0.69 0.27 0.00 1.01 0.00 0.00 58.87 61.06 2k4p n SER 30 Cb 0.75 -0.33 0.72 0.00 -1.01 0.00 0.00 64.21 64.33 2k4p n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k4p h ALA 31 N -2.00 2.70 -0.81 -0.43 0.00 -1.75 0.23 119.26 117.20 2k4p h ALA 31 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2k4p h ALA 31 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2k4p h ALA 31 CO 0.00 -1.09 0.41 2.35 0.00 0.00 0.00 179.25 180.92 2k4p h TRP 32 N 0.00 0.72 0.00 0.00 7.01 -0.57 0.26 115.95 123.37 2k4p h TRP 32 Ca 0.39 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.42 2k4p h TRP 32 Cb 1.72 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.58 2k4p h TRP 32 CO 0.00 0.19 -0.20 1.28 -2.79 0.00 0.00 178.44 176.92 2k4p n LEU 33 N -4.88 0.28 0.13 0.65 4.32 0.06 -3.34 117.00 114.22 2k4p n LEU 33 Ca 0.15 0.33 0.13 0.00 -0.02 0.00 0.00 56.01 56.61 2k4p n LEU 33 Cb 0.39 -0.38 0.40 0.00 -1.62 0.00 0.00 43.42 42.21 2k4p n LEU 33 CO 0.22 0.02 0.88 0.03 -1.22 0.00 0.00 177.39 177.31 2k4p h ARG 34 N 0.00 0.00 0.00 3.23 2.47 -0.35 0.13 114.38 119.87 2k4p h ARG 34 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k4p h ARG 34 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2k4p h ARG 34 CO 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 179.97 180.51 2k4p h ALA 35 N 2.39 0.99 0.00 0.04 0.00 -1.48 -3.30 119.26 117.90 2k4p h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4p h ALA 35 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k4p h ALA 35 CO 0.00 0.00 -0.47 0.44 0.00 0.00 0.00 179.25 179.22 2k4p n ILE 36 N -2.49 0.00 -1.73 0.00 -5.35 -1.14 -5.04 119.36 103.61 2k4p n ILE 36 Ca 0.05 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2k4p n ILE 36 Cb 0.46 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 2k4p n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4p n GLY 37 N 1.62 0.60 1.14 3.28 0.00 -0.19 -5.00 105.19 106.64 2k4p n GLY 37 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 2k4p n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4p n LEU 38 N -0.69 0.61 0.30 0.99 7.94 0.30 -4.85 117.00 121.59 2k4p n LEU 38 Ca 0.00 -1.65 0.18 0.00 -1.11 0.00 0.00 56.01 53.43 2k4p n LEU 38 Cb 0.40 0.00 0.90 0.00 0.53 0.00 0.00 43.42 45.26 2k4p n LEU 38 CO 0.00 0.44 1.06 -0.08 -1.11 0.00 0.00 177.39 177.71 2k4p h GLU 39 N 0.63 0.00 -0.00 1.96 4.22 -1.85 -2.19 114.58 117.34 2k4p h GLU 39 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2k4p h GLU 39 Cb 1.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2k4p h GLU 39 CO 0.06 0.03 0.03 0.00 -2.18 0.00 0.00 179.01 176.95 2k4p h ARG 40 N 0.00 0.00 -0.01 1.92 3.08 -1.91 0.24 114.38 117.70 2k4p h ARG 40 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k4p h ARG 40 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2k4p h ARG 40 CO 0.00 0.00 -0.39 0.66 -1.07 0.00 0.00 179.97 179.18 2k4p n TYR 41 N -3.16 0.00 -0.04 3.04 4.01 -0.82 -4.52 117.16 115.67 2k4p n TYR 41 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 2k4p n TYR 41 Cb 0.10 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 2k4p n TYR 41 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2k4p h GLU 42 N 2.12 -0.27 -0.24 -0.72 4.81 -0.62 0.24 114.58 119.90 2k4p h GLU 42 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2k4p h GLU 42 Cb 0.68 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2k4p h GLU 42 CO 0.00 -0.18 0.28 1.49 -0.73 0.00 0.00 179.01 179.87 2k4p h GLU 43 N -0.28 0.00 -0.29 1.92 4.81 -1.79 0.32 114.58 119.26 2k4p h GLU 43 Ca 0.03 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2k4p h GLU 43 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k4p h GLU 43 CO -0.29 0.00 -0.25 0.78 -0.73 0.00 0.00 179.01 178.52 2k4p h GLY 44 N 0.00 0.61 0.26 1.92 0.00 -0.80 -1.93 103.07 103.13 2k4p h GLY 44 Ca 0.12 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 2k4p h GLY 44 CO -0.00 0.47 -1.98 1.04 0.00 0.00 0.00 176.54 176.07 2k4p n LEU 45 N -4.12 0.22 0.12 3.11 4.32 -0.09 -4.14 117.00 116.43 2k4p n LEU 45 Ca -0.00 0.10 -0.03 0.00 -0.02 0.00 0.00 56.01 56.06 2k4p n LEU 45 Cb 0.42 0.20 0.16 0.00 -1.62 0.00 0.00 43.42 42.57 2k4p n LEU 45 CO 0.43 0.21 0.50 0.58 -1.22 0.00 0.00 177.39 177.89 2k4p h VAL 46 N 0.00 1.41 -0.37 4.08 2.07 -0.46 0.27 116.25 123.26 2k4p h VAL 46 Ca -0.24 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2k4p h VAL 46 Cb 1.59 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 2k4p h VAL 46 CO 0.02 0.59 0.00 1.57 0.02 0.00 0.00 177.57 179.77 2k4p n HIS 47 N -3.85 0.50 -0.01 1.57 -0.00 -0.73 -3.77 115.22 108.94 2k4p n HIS 47 Ca -0.02 -0.25 -0.00 0.00 0.46 0.00 0.00 57.72 57.92 2k4p n HIS 47 Cb 0.61 -0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.46 2k4p n HIS 47 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2k4p n ASN 48 N 0.57 4.52 0.00 0.26 5.15 -1.04 -5.02 115.26 119.70 2k4p n ASN 48 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2k4p n ASN 48 Cb 0.31 0.76 0.00 0.00 -0.53 0.00 0.00 39.78 40.33 2k4p n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k4p n GLY 49 N 2.69 1.43 0.08 8.20 0.00 -0.86 -5.03 105.19 111.70 2k4p n GLY 49 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k4p n GLY 49 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k4p n TRP 50 N 0.00 0.04 0.19 1.61 7.02 0.90 -4.66 117.44 122.53 2k4p n TRP 50 Ca 0.00 -0.26 0.18 0.00 -1.02 0.00 0.00 57.50 56.40 2k4p n TRP 50 Cb 0.00 -0.02 0.82 0.00 -2.42 0.00 0.00 31.31 29.68 2k4p n TRP 50 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2k4p h ASP 51 N 0.32 0.00 -2.78 -0.99 2.03 -1.77 -3.37 116.42 109.86 2k4p h ASP 51 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 2k4p h ASP 51 Cb 0.32 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.69 2k4p h ASP 51 CO 0.00 0.00 0.65 -1.81 -1.03 0.00 0.00 179.24 177.05 2k4p s ASP 52 N -5.45 6.23 0.54 4.15 1.01 -1.26 -4.71 116.67 117.18 2k4p s ASP 52 Ca -0.04 -0.68 0.30 0.00 0.71 0.00 0.00 52.55 52.84 2k4p s ASP 52 Cb 0.14 -2.45 1.47 0.00 1.01 0.00 0.00 42.92 43.09 2k4p s ASP 52 CO 0.51 -1.45 1.90 -0.07 0.21 0.00 0.00 175.17 176.28 2k4p h LEU 53 N 11.54 0.00 -0.59 1.23 3.38 -1.98 0.23 115.31 129.11 2k4p h LEU 53 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2k4p h LEU 53 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k4p h LEU 53 CO 1.17 0.00 0.01 -0.33 0.09 0.00 0.00 178.44 179.38 2k4p h GLU 54 N 0.00 1.04 0.21 1.13 5.08 -1.92 -2.51 114.58 117.61 2k4p h GLU 54 Ca 0.38 -0.33 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 2k4p h GLU 54 Cb 1.56 -0.10 0.03 0.00 0.50 0.00 0.00 28.75 30.75 2k4p h GLU 54 CO -0.00 1.02 -1.32 0.74 -1.00 0.00 0.00 179.01 178.44 2k4p h PHE 55 N 0.94 0.92 -0.00 4.33 -1.00 -1.03 -3.23 116.94 117.87 2k4p h PHE 55 Ca 0.17 -0.65 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2k4p h PHE 55 Cb 0.54 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 2k4p h PHE 55 CO 0.04 1.50 0.03 1.25 -1.61 0.00 0.00 178.31 179.52 2k4p h LEU 56 N 0.08 0.00 -0.36 1.54 6.46 -0.88 0.30 115.31 122.44 2k4p h LEU 56 Ca -0.23 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2k4p h LEU 56 Cb 2.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 2k4p h LEU 56 CO 0.25 0.00 0.00 -1.54 -0.62 0.00 0.00 178.44 176.53 2k4p n SER 57 N -3.10 0.29 -0.25 1.25 3.41 -0.95 -1.71 113.62 112.56 2k4p n SER 57 Ca -0.03 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 2k4p n SER 57 Cb 0.10 -0.64 -0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2k4p n SER 57 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k4p n ASP 58 N -1.83 1.27 -4.60 4.04 -0.08 0.09 -5.02 116.55 110.42 2k4p n ASP 58 Ca 0.02 -1.14 -0.43 0.00 -1.51 0.00 0.00 54.79 51.74 2k4p n ASP 58 Cb 0.17 0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.12 2k4p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k4p n ILE 59 N -0.28 2.20 -2.13 5.18 3.06 -0.69 -4.99 119.36 121.71 2k4p n ILE 59 Ca 0.05 -0.50 -0.08 0.00 -2.50 0.00 0.00 62.75 59.71 2k4p n ILE 59 Cb 0.24 -1.09 0.05 0.00 0.54 0.00 0.00 39.64 39.37 2k4p n ILE 59 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2k4p n THR 60 N -0.21 0.00 0.08 9.51 -2.24 -1.26 -5.00 114.28 115.16 2k4p n THR 60 Ca 0.09 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 2k4p n THR 60 Cb 0.36 -1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 67.15 2k4p n THR 60 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k4p h GLU 61 N 0.00 0.14 0.13 -0.78 4.81 -1.97 -3.31 114.58 113.59 2k4p h GLU 61 Ca -0.12 -0.20 -0.30 0.00 -0.13 0.00 0.00 59.36 58.60 2k4p h GLU 61 Cb 0.41 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k4p h GLU 61 CO 0.12 1.05 -1.49 1.49 -0.73 0.00 0.00 179.01 179.44 2k4p h GLU 62 N 0.05 0.27 -0.57 1.92 4.81 -1.96 -3.30 114.58 115.81 2k4p h GLU 62 Ca -0.06 -0.46 0.16 0.00 -0.13 0.00 0.00 59.36 58.88 2k4p h GLU 62 Cb 1.74 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.27 2k4p h GLU 62 CO 0.15 1.15 0.50 -0.44 -0.73 0.00 0.00 179.01 179.64 2k4p h ASP 63 N 0.07 0.00 -0.44 1.04 5.19 -1.95 0.19 116.42 120.52 2k4p h ASP 63 Ca -0.23 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.13 2k4p h ASP 63 Cb 2.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.50 2k4p h ASP 63 CO 0.17 0.00 0.10 -0.07 -3.12 0.00 0.00 179.24 176.32 2k4p h LEU 64 N 0.00 0.73 -1.77 1.55 3.38 -1.66 -2.01 115.31 115.53 2k4p h LEU 64 Ca 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k4p h LEU 64 Cb 1.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k4p h LEU 64 CO -0.00 0.74 -0.15 1.05 0.09 0.00 0.00 178.44 180.17 2k4p h GLU 65 N 0.75 0.00 -0.55 1.13 -0.00 -0.36 0.17 114.58 115.72 2k4p h GLU 65 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.48 2k4p h GLU 65 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.04 2k4p h GLU 65 CO 0.00 0.15 0.16 1.49 -0.00 0.00 0.00 179.01 180.81 2k4p h GLU 66 N 0.00 0.82 -0.02 1.06 4.81 -1.36 -1.51 114.58 118.38 2k4p h GLU 66 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2k4p h GLU 66 Cb 0.40 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k4p h GLU 66 CO 0.02 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 2k4p n ALA 67 N -2.46 2.61 0.00 2.92 0.00 -0.96 -4.87 120.51 117.75 2k4p n ALA 67 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k4p n ALA 67 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2k4p n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4p n GLY 68 N 1.11 0.67 2.56 0.00 0.00 -0.57 -4.35 105.19 104.62 2k4p n GLY 68 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2k4p n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k4p n VAL 69 N -1.14 4.04 -1.08 1.61 0.31 0.56 -4.63 118.33 118.00 2k4p n VAL 69 Ca 0.00 -3.12 -0.24 0.00 -0.01 0.00 0.00 64.34 60.97 2k4p n VAL 69 Cb 0.00 -2.54 0.15 0.00 -0.91 0.00 0.00 33.84 30.54 2k4p n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4p n GLN 70 N 4.50 2.21 -4.29 5.55 -0.00 -1.26 -2.62 117.38 121.47 2k4p n GLN 70 Ca 0.62 -2.81 -0.29 0.00 -0.00 0.00 0.00 57.00 54.53 2k4p n GLN 70 Cb 0.31 -2.10 -0.10 0.00 -0.00 0.00 0.00 30.24 28.35 2k4p n GLN 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2k4p s ASP 71 N -1.18 4.07 -0.02 2.61 1.11 -1.26 -5.04 116.67 116.97 2k4p s ASP 71 Ca 0.53 -0.54 -0.25 0.00 0.18 0.00 0.00 52.55 52.47 2k4p s ASP 71 Cb 0.45 -0.64 -0.20 0.00 1.07 0.00 0.00 42.92 43.60 2k4p s ASP 71 CO 0.08 0.16 1.27 1.55 1.18 0.00 0.00 175.17 179.42 2k4p h PRO 72 N 3.47 0.04 0.00 8.23 0.13 -1.97 0.18 132.00 142.08 2k4p h PRO 72 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2k4p h PRO 72 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k4p h PRO 72 CO 0.49 0.52 -0.15 0.00 -0.23 0.00 0.00 178.00 178.63 2k4p h ALA 73 N 0.52 1.38 0.09 -0.56 0.00 -1.98 0.21 119.26 118.93 2k4p h ALA 73 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 2k4p h ALA 73 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k4p h ALA 73 CO 0.00 0.18 -1.67 0.45 0.00 0.00 0.00 179.25 178.22 2k4p h HIS 74 N 0.00 0.35 0.01 0.00 3.86 -1.94 -3.08 115.15 114.34 2k4p h HIS 74 Ca -0.00 -0.25 -0.21 0.00 -1.16 0.00 0.00 60.37 58.75 2k4p h HIS 74 Cb 0.35 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2k4p h HIS 74 CO 0.00 1.38 -0.91 0.87 0.86 0.00 0.00 177.93 180.13 2k4p h LYS 75 N 0.05 0.24 0.00 2.45 1.57 -0.29 -2.77 116.57 117.82 2k4p h LYS 75 Ca -0.29 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.12 2k4p h LYS 75 Cb 2.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 2k4p h LYS 75 CO 0.13 1.00 -0.48 0.07 -0.57 0.00 0.00 179.45 179.59 2k4p h ARG 76 N 0.13 0.00 -0.00 3.15 -0.00 -0.72 -3.20 114.38 113.73 2k4p h ARG 76 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.86 2k4p h ARG 76 Cb 1.55 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.52 2k4p h ARG 76 CO 0.14 0.48 -0.27 1.25 -0.00 0.00 0.00 179.97 181.57 2k4p h LEU 77 N 0.00 0.24 -0.31 0.08 5.85 -1.52 -3.18 115.31 116.48 2k4p h LEU 77 Ca -0.00 -0.77 0.07 0.00 0.84 0.00 0.00 57.88 58.02 2k4p h LEU 77 Cb 1.16 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 2k4p h LEU 77 CO 0.06 0.98 -0.21 0.25 -0.34 0.00 0.00 178.44 179.19 2k4p h LEU 78 N -0.47 -0.68 -0.78 2.25 6.46 -1.55 0.31 115.31 120.86 2k4p h LEU 78 Ca -0.03 0.14 0.13 0.00 -0.12 0.00 0.00 57.88 58.00 2k4p h LEU 78 Cb 1.02 0.34 -0.09 0.00 -0.73 0.00 0.00 40.66 41.20 2k4p h LEU 78 CO 0.05 -0.24 0.37 -0.07 -0.62 0.00 0.00 178.44 177.93 2k4p h LEU 79 N -0.17 0.41 -0.69 2.25 3.38 -1.66 0.63 115.31 119.46 2k4p h LEU 79 Ca 0.16 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 2k4p h LEU 79 Cb 0.42 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2k4p h LEU 79 CO -0.42 0.18 -0.46 -0.78 0.09 0.00 0.00 178.44 177.05 2k4p h ASP 80 N 0.55 0.48 0.86 -0.43 1.82 -1.16 -2.83 116.42 115.71 2k4p h ASP 80 Ca 0.42 -0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2k4p h ASP 80 Cb 0.58 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 2k4p h ASP 80 CO -0.36 0.88 -0.16 0.74 -1.61 0.00 0.00 179.24 178.73 2k4p h THR 81 N 0.36 0.42 0.72 2.25 2.02 0.15 -2.76 112.91 116.06 2k4p h THR 81 Ca 0.02 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2k4p h THR 81 Cb 0.95 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 69.01 2k4p h THR 81 CO 0.08 0.15 -0.34 -0.07 0.37 0.00 0.00 175.52 175.71 2k4p h LEU 82 N 0.00 -0.81 -1.81 2.58 3.38 -0.70 -0.12 115.31 117.83 2k4p h LEU 82 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k4p h LEU 82 Cb 0.63 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k4p h LEU 82 CO 0.02 -0.48 -0.14 1.56 0.09 0.00 0.00 178.44 179.49 2k4p h GLN 83 N -1.13 0.00 0.06 1.13 4.20 -1.62 -3.25 115.11 114.50 2k4p h GLN 83 Ca -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2k4p h GLN 83 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2k4p h GLN 83 CO 0.16 0.14 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.36 2k4p h LEU 84 N 0.00 -0.07 2.43 1.46 -0.00 -1.31 -3.47 115.31 114.34 2k4p h LEU 84 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 57.51 2k4p h LEU 84 Cb 0.38 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2k4p h LEU 84 CO 0.02 -0.01 -0.45 -0.24 -0.00 0.00 0.00 178.44 177.76 2k4p n SER 85 N -2.46 -5.29 0.00 -0.43 2.88 -0.07 -5.10 113.62 103.15 2k4p n SER 85 Ca -0.01 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2k4p n SER 85 Cb 0.03 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.00 2k4p n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10