#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjs s PRO 2 N 0.00 3.78 0.00 0.03 0.04 -1.26 -4.90 135.00 132.69 2kjs s PRO 2 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2kjs s PRO 2 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2kjs s PRO 2 CO 0.00 -1.30 0.00 0.25 0.04 0.00 0.00 177.00 175.99 2kjs n THR 3 N 6.65 0.00 -0.04 1.26 -2.24 -1.26 -4.18 114.28 114.47 2kjs n THR 3 Ca 0.13 0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 62.26 2kjs n THR 3 Cb 0.48 -1.41 0.12 0.00 -2.10 0.00 0.00 70.33 67.41 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kjs h LEU 4 N 0.00 0.66 -1.47 3.22 3.38 -1.97 -1.36 115.31 117.78 2kjs h LEU 4 Ca 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2kjs h LEU 4 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2kjs h LEU 4 CO 0.00 0.92 0.04 -0.78 0.09 0.00 0.00 178.44 178.72 2kjs h ASP 5 N 0.55 0.36 1.02 -0.43 3.58 -1.96 0.14 116.42 119.68 2kjs h ASP 5 Ca 0.07 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2kjs h ASP 5 Cb 0.78 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2kjs h ASP 5 CO 0.06 0.39 -1.04 0.00 -2.88 0.00 0.00 179.24 175.76 2kjs h ALA 6 N 1.67 0.64 0.00 -0.78 0.00 -1.66 -3.30 119.26 115.83 2kjs h ALA 6 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kjs h ALA 6 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kjs h ALA 6 CO -0.00 0.87 -0.39 1.28 0.00 0.00 0.00 179.25 181.01 2kjs n LEU 7 N -3.07 0.40 0.18 0.00 4.77 -0.54 -3.84 117.00 114.91 2kjs n LEU 7 Ca -0.05 0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2kjs n LEU 7 Cb 0.82 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2kjs n LEU 7 CO 0.43 0.08 0.24 0.71 -1.33 0.00 0.00 177.39 177.51 2kjs h THR 8 N 0.00 0.00 -0.95 -5.08 1.35 -0.81 -2.62 112.91 104.80 2kjs h THR 8 Ca 0.00 -0.47 0.06 0.00 -0.55 0.00 0.00 66.41 65.45 2kjs h THR 8 Cb 0.52 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.88 2kjs h THR 8 CO 0.00 0.00 0.62 1.55 -0.25 0.00 0.00 175.52 177.44 2kjs h PRO 9 N -0.99 1.08 -0.36 4.72 0.13 -1.73 -0.49 132.00 134.38 2kjs h PRO 9 Ca -0.05 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 2kjs h PRO 9 Cb 0.40 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 2kjs h PRO 9 CO 0.09 0.72 0.10 0.82 -0.23 0.00 0.00 178.00 179.50 2kjs h ILE 10 N 1.12 1.21 -0.49 -3.56 2.04 -1.67 -0.52 117.51 115.63 2kjs h ILE 10 Ca 0.41 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 2kjs h ILE 10 Cb 0.16 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2kjs h ILE 10 CO -0.15 0.24 -0.07 -0.26 0.00 0.00 0.00 178.15 177.91 2kjs h PHE 11 N 0.42 1.02 -0.83 1.37 -1.00 -1.05 -1.98 116.94 114.89 2kjs h PHE 11 Ca 0.11 -0.20 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 2kjs h PHE 11 Cb 0.27 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 2kjs h PHE 11 CO 0.01 0.97 0.37 0.00 -1.61 0.00 0.00 178.31 178.05 2kjs h ARG 12 N 0.77 1.22 -0.60 1.51 3.08 -0.95 -0.98 114.38 118.43 2kjs h ARG 12 Ca 0.13 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 2kjs h ARG 12 Cb 0.61 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2kjs h ARG 12 CO 0.04 0.96 0.10 1.96 -1.07 0.00 0.00 179.97 181.96 2kjs h GLN 13 N 1.20 1.00 -0.41 0.04 1.08 -0.93 0.13 115.11 117.21 2kjs h GLN 13 Ca 0.28 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2kjs h GLN 13 Cb 0.17 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2kjs h GLN 13 CO -0.03 0.94 0.16 0.28 -0.95 0.00 0.00 178.83 179.23 2kjs h VAL 14 N 0.90 1.20 -0.31 -0.54 2.07 -0.96 -1.88 116.25 116.73 2kjs h VAL 14 Ca 0.18 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2kjs h VAL 14 Cb 0.42 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2kjs h VAL 14 CO 0.01 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.31 2kjs n PHE 15 N -4.64 0.79 0.00 1.57 3.72 -0.41 -4.93 117.46 113.57 2kjs n PHE 15 Ca 0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2kjs n PHE 15 Cb 0.15 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2kjs n PHE 15 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kjs n ASP 16 N 0.39 0.00 -3.65 4.37 8.00 0.41 -4.62 116.55 121.46 2kjs n ASP 16 Ca 0.13 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.61 2kjs n ASP 16 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.58 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjs s ASP 17 N 0.00 -0.10 0.00 -2.24 2.15 -1.03 -4.30 116.67 111.15 2kjs s ASP 17 Ca 0.00 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.16 2kjs s ASP 17 Cb 0.00 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 2kjs s ASP 17 CO 0.00 -0.03 0.00 -0.67 -0.17 0.00 0.00 175.17 174.30 2kjs n ASP 18 N 2.25 0.00 0.00 -0.34 -0.08 -1.26 -5.09 116.55 112.03 2kjs n ASP 18 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 2kjs n ASP 18 Cb 0.57 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.16 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kjs n SER 19 N -1.60 0.00 -2.52 1.67 2.88 -1.26 -5.11 113.62 107.69 2kjs n SER 19 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2kjs n SER 19 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2kjs n SER 19 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2kjs n ILE 20 N 0.00 -7.26 -3.66 2.46 -0.00 -1.26 -4.88 119.36 104.75 2kjs n ILE 20 Ca 0.00 1.59 -0.36 0.00 -0.00 0.00 0.00 62.75 63.98 2kjs n ILE 20 Cb 0.00 -4.31 -0.07 0.00 -0.00 0.00 0.00 39.64 35.26 2kjs n ILE 20 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2kjs s VAL 21 N -0.34 5.34 -0.20 1.39 0.11 -1.26 -5.02 120.40 120.43 2kjs s VAL 21 Ca -0.08 0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 59.30 2kjs s VAL 21 Cb 0.01 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.26 2kjs s VAL 21 CO 0.22 0.49 0.11 -0.76 -3.33 0.00 0.00 175.10 171.83 2kjs s LEU 22 N -0.16 4.07 0.00 2.54 1.43 -1.26 -4.94 118.68 120.36 2kjs s LEU 22 Ca 0.15 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2kjs s LEU 22 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2kjs s LEU 22 CO 0.04 0.16 0.41 0.35 0.23 0.00 0.00 176.35 177.54 2kjs n THR 23 N 3.67 0.08 0.00 5.49 -2.24 -1.26 -5.00 114.28 115.03 2kjs n THR 23 Ca -0.16 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2kjs n THR 23 Cb 0.52 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 2kjs n THR 23 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2kjs n ARG 24 N -0.04 0.00 0.00 -0.78 0.63 -1.26 -4.64 116.66 110.56 2kjs n ARG 24 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2kjs n ARG 24 Cb 0.10 0.00 0.41 0.00 0.45 0.00 0.00 32.46 33.42 2kjs n ARG 24 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2kjs n GLU 25 N 0.00 0.24 -0.72 -0.14 0.28 -1.26 -3.85 120.64 115.19 2kjs n GLU 25 Ca 0.00 -0.11 -0.32 0.00 -0.16 0.00 0.00 57.16 56.57 2kjs n GLU 25 Cb 0.00 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.52 2kjs n GLU 25 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2kjs n THR 26 N -1.28 0.00 -3.84 3.84 -1.04 -1.26 -5.01 114.28 105.69 2kjs n THR 26 Ca 0.08 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.83 2kjs n THR 26 Cb 0.33 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 68.04 2kjs n THR 26 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2kjs s SER 27 N -2.19 -0.15 0.55 8.00 1.04 -1.26 -4.45 113.70 115.25 2kjs s SER 27 Ca 0.60 -0.65 0.24 0.00 0.48 0.00 0.00 55.95 56.63 2kjs s SER 27 Cb -0.21 0.54 1.50 0.00 0.10 0.00 0.00 66.02 67.95 2kjs s SER 27 CO 0.65 -1.02 2.11 0.00 0.98 0.00 0.00 173.24 175.95 2kjs h ALA 28 N 2.30 1.99 -0.71 5.32 0.00 -1.90 -0.51 119.26 125.77 2kjs h ALA 28 Ca -0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2kjs h ALA 28 Cb 1.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2kjs h ALA 28 CO 0.40 -0.25 0.22 -0.91 0.00 0.00 0.00 179.25 178.71 2kjs h ASN 29 N 0.00 1.02 -0.31 0.00 2.35 -2.00 -2.51 115.58 114.14 2kjs h ASN 29 Ca 0.09 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2kjs h ASN 29 Cb 0.40 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2kjs h ASN 29 CO -0.00 0.95 0.01 0.44 -1.65 0.00 0.00 177.43 177.17 2kjs h ASP 30 N 1.05 0.61 -3.67 5.81 3.32 -1.49 -3.39 116.42 118.65 2kjs h ASP 30 Ca 0.23 -0.13 -0.68 0.00 0.02 0.00 0.00 57.03 56.47 2kjs h ASP 30 Cb 0.30 -0.16 -0.21 0.00 0.22 0.00 0.00 39.33 39.47 2kjs h ASP 30 CO -0.01 0.68 -0.53 -0.63 -1.72 0.00 0.00 179.24 177.03 2kjs s ILE 31 N -4.98 4.82 -0.07 0.35 -1.09 -0.94 -4.94 121.20 114.34 2kjs s ILE 31 Ca -0.08 -0.38 0.14 0.00 -2.23 0.00 0.00 60.65 58.09 2kjs s ILE 31 Cb 0.15 -3.48 -0.11 0.00 -1.58 0.00 0.00 42.46 37.45 2kjs s ILE 31 CO 0.78 0.02 1.06 0.44 -1.23 0.00 0.00 174.94 176.02 2kjs h ASP 32 N 8.40 0.00 0.00 3.58 3.32 -1.77 -3.27 116.42 126.68 2kjs h ASP 32 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2kjs h ASP 32 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2kjs h ASP 32 CO 0.62 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.85 2kjs n ALA 33 N -2.36 2.24 -3.02 3.45 0.00 -1.26 -4.52 120.51 115.03 2kjs n ALA 33 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 2kjs n ALA 33 Cb 0.86 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 2kjs n ALA 33 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2kjs s TRP 34 N -1.53 3.53 0.41 0.00 -0.11 -1.24 -5.01 118.94 114.99 2kjs s TRP 34 Ca 0.00 -2.02 -0.16 0.00 1.22 0.00 0.00 56.10 55.14 2kjs s TRP 34 Cb 0.00 -4.21 -0.09 0.00 -1.50 0.00 0.00 33.47 27.68 2kjs s TRP 34 CO 0.00 -1.33 0.85 0.34 -4.62 0.00 0.00 176.95 172.19 2kjs s ASP 35 N 2.78 6.74 0.32 5.86 2.15 -1.26 -4.97 116.67 128.28 2kjs s ASP 35 Ca 0.37 1.42 0.02 0.00 0.43 0.00 0.00 52.55 54.78 2kjs s ASP 35 Cb -0.05 -2.43 0.54 0.00 -0.30 0.00 0.00 42.92 40.68 2kjs s ASP 35 CO -0.04 -0.36 1.90 -1.28 -0.17 0.00 0.00 175.17 175.21 2kjs h SER 36 N 1.69 0.66 -0.74 -0.34 0.87 -1.99 -2.47 113.55 111.24 2kjs h SER 36 Ca -0.48 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 59.95 2kjs h SER 36 Cb 1.18 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2kjs h SER 36 CO 0.63 0.63 0.29 -0.07 -0.53 0.00 0.00 176.83 177.77 2kjs h LEU 37 N 0.72 1.03 -1.29 2.23 3.38 -2.01 -1.53 115.31 117.84 2kjs h LEU 37 Ca 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kjs h LEU 37 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kjs h LEU 37 CO -0.01 0.92 0.00 0.77 0.09 0.00 0.00 178.44 180.21 2kjs h SER 38 N 1.09 0.00 -0.83 -0.43 4.64 -1.84 -2.75 113.55 113.43 2kjs h SER 38 Ca 0.25 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2kjs h SER 38 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2kjs h SER 38 CO -0.02 0.00 0.55 -0.74 -0.87 0.00 0.00 176.83 175.75 2kjs h HIS 39 N 0.00 1.05 -0.83 4.77 6.17 -1.19 -1.82 115.15 123.31 2kjs h HIS 39 Ca 0.00 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.08 2kjs h HIS 39 Cb 0.25 -0.36 -0.04 0.00 2.52 0.00 0.00 27.41 29.79 2kjs h HIS 39 CO 0.00 0.67 0.43 1.98 0.71 0.00 0.00 177.93 181.72 2kjs h MET 40 N 1.13 1.17 -0.69 5.26 -1.53 -1.62 -1.97 114.93 116.70 2kjs h MET 40 Ca 0.31 -0.15 -0.04 0.00 -3.44 0.00 0.00 59.70 56.38 2kjs h MET 40 Cb -0.13 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.67 2kjs h MET 40 CO -0.07 0.88 0.29 -0.97 0.14 0.00 0.00 176.91 177.18 2kjs h ASN 41 N 1.17 0.93 -0.72 1.39 -0.73 -1.53 -1.70 115.58 114.39 2kjs h ASN 41 Ca 0.29 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2kjs h ASN 41 Cb 0.06 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.38 2kjs h ASN 41 CO -0.04 0.84 0.34 -0.07 -0.37 0.00 0.00 177.43 178.13 2kjs h LEU 42 N 0.97 0.95 -0.51 0.34 3.38 -0.96 -0.86 115.31 118.62 2kjs h LEU 42 Ca 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2kjs h LEU 42 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2kjs h LEU 42 CO -0.02 0.82 0.19 0.40 0.09 0.00 0.00 178.44 179.92 2kjs h ILE 43 N 1.02 1.22 -0.55 1.22 2.04 -1.04 -2.55 117.51 118.86 2kjs h ILE 43 Ca 0.25 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2kjs h ILE 43 Cb 0.13 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2kjs h ILE 43 CO -0.03 0.26 0.20 0.58 0.00 0.00 0.00 178.15 179.16 2kjs h VAL 44 N 0.68 1.23 0.28 1.67 2.07 -1.01 0.79 116.25 121.95 2kjs h VAL 44 Ca 0.17 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kjs h VAL 44 Cb 0.22 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2kjs h VAL 44 CO -0.01 0.28 -0.35 -1.28 0.02 0.00 0.00 177.57 176.23 2kjs h SER 45 N 0.76 -0.97 -0.71 0.57 0.87 -0.95 0.19 113.55 113.31 2kjs h SER 45 Ca 0.18 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2kjs h SER 45 Cb 0.23 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2kjs h SER 45 CO -0.01 -0.47 0.28 -0.07 -0.53 0.00 0.00 176.83 176.02 2kjs h LEU 46 N -0.68 0.99 0.15 2.23 4.07 -1.42 0.19 115.31 120.84 2kjs h LEU 46 Ca -0.01 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.78 2kjs h LEU 46 Cb 0.64 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2kjs h LEU 46 CO -0.11 0.89 -0.18 -0.08 -1.08 0.00 0.00 178.44 177.89 2kjs h GLU 47 N 1.02 -0.36 -0.30 1.13 4.81 -0.43 0.41 114.58 120.86 2kjs h GLU 47 Ca 0.24 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2kjs h GLU 47 Cb 0.22 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2kjs h GLU 47 CO -0.02 -0.24 -0.12 0.28 -0.73 0.00 0.00 179.01 178.18 2kjs h VAL 48 N -0.37 1.29 -0.14 0.32 2.07 -0.53 1.83 116.25 120.72 2kjs h VAL 48 Ca 0.01 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2kjs h VAL 48 Cb 0.37 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2kjs h VAL 48 CO -0.07 0.39 0.09 0.45 0.02 0.00 0.00 177.57 178.45 2kjs h HIS 49 N 0.37 0.17 0.00 1.57 3.86 -0.45 -2.68 115.15 117.99 2kjs h HIS 49 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2kjs h HIS 49 Cb 0.64 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2kjs h HIS 49 CO 0.06 0.10 -0.58 1.88 0.86 0.00 0.00 177.93 180.26 2kjs h TYR 50 N 0.18 0.00 -5.80 2.45 0.05 -0.20 -3.49 116.97 110.17 2kjs h TYR 50 Ca 0.05 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.49 2kjs h TYR 50 Cb -0.02 0.00 0.14 0.00 1.01 0.00 0.00 36.73 37.86 2kjs h TYR 50 CO -0.07 0.00 -0.88 1.17 -1.05 0.00 0.00 178.16 177.33 2kjs n LYS 51 N -2.20 -2.56 -0.63 4.88 4.81 0.62 -5.01 118.16 118.07 2kjs n LYS 51 Ca 0.03 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2kjs n LYS 51 Cb 0.45 -5.19 0.00 0.00 0.02 0.00 0.00 35.03 30.31 2kjs n LYS 51 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2kjs n ILE 52 N -3.74 0.00 -3.91 3.15 -5.35 -0.79 -5.02 119.36 103.70 2kjs n ILE 52 Ca -0.12 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.14 2kjs n ILE 52 Cb 0.62 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.35 2kjs n ILE 52 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2kjs s LYS 53 N 0.06 0.69 -0.01 6.28 2.20 -1.26 -4.85 119.74 122.86 2kjs s LYS 53 Ca 0.00 0.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 2kjs s LYS 53 Cb 0.00 -0.92 -0.05 0.00 -1.51 0.00 0.00 37.83 35.35 2kjs s LYS 53 CO 0.00 -0.22 0.37 -0.06 -0.36 0.00 0.00 175.35 175.08 2kjs s PHE 54 N 1.55 3.70 0.04 4.03 0.08 -1.26 -5.09 117.98 121.03 2kjs s PHE 54 Ca -0.01 0.91 0.00 0.00 0.12 0.00 0.00 56.93 57.95 2kjs s PHE 54 Cb -0.13 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 2kjs s PHE 54 CO -0.03 0.64 0.15 0.00 -0.10 0.00 0.00 175.22 175.88 2kjs s ALA 55 N -1.11 3.83 0.22 5.36 0.00 -1.26 -5.01 121.76 123.79 2kjs s ALA 55 Ca 0.24 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 2kjs s ALA 55 Cb -0.16 -1.71 0.18 0.00 0.00 0.00 0.00 23.12 21.44 2kjs s ALA 55 CO 0.13 0.77 1.87 -0.07 0.00 0.00 0.00 175.76 178.46 2kjs h LEU 56 N 3.44 0.98 -1.44 0.00 -0.00 -1.99 -1.94 115.31 114.36 2kjs h LEU 56 Ca -0.47 -0.06 0.20 0.00 -0.00 0.00 0.00 57.88 57.56 2kjs h LEU 56 Cb 1.17 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 41.51 2kjs h LEU 56 CO 0.70 0.75 0.61 1.23 -0.00 0.00 0.00 178.44 181.72 2kjs h GLY 57 N 1.13 1.00 0.59 0.83 0.00 -1.98 0.16 103.07 104.80 2kjs h GLY 57 Ca 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 2kjs h GLY 57 CO -0.06 -0.02 -0.14 0.83 0.00 0.00 0.00 176.54 177.15 2kjs h GLU 58 N 0.46 0.21 -0.66 4.80 5.08 -1.77 -2.29 114.58 120.40 2kjs h GLU 58 Ca 0.49 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2kjs h GLU 58 Cb 1.15 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2kjs h GLU 58 CO -0.21 0.73 0.34 -0.07 -1.00 0.00 0.00 179.01 178.81 2kjs h LEU 59 N -0.29 0.85 -1.52 1.33 -0.00 -1.00 0.29 115.31 114.98 2kjs h LEU 59 Ca 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.72 2kjs h LEU 59 Cb 0.73 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2kjs h LEU 59 CO 0.03 0.73 -0.19 1.56 -0.00 0.00 0.00 178.44 180.57 2kjs h GLN 60 N 0.92 0.00 -0.00 1.13 1.08 -0.80 -2.34 115.11 115.10 2kjs h GLN 60 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2kjs h GLN 60 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2kjs h GLN 60 CO -0.03 0.19 -0.71 1.63 -0.95 0.00 0.00 178.83 178.96 2kjs n LYS 61 N -3.56 0.27 -3.27 1.46 5.02 -0.77 -4.86 118.16 112.44 2kjs n LYS 61 Ca -0.01 -0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 55.69 2kjs n LYS 61 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kjs s LEU 62 N -2.87 4.09 0.00 -0.35 1.43 0.96 -4.86 118.68 117.08 2kjs s LEU 62 Ca 0.12 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2kjs s LEU 62 Cb 0.17 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2kjs s LEU 62 CO 0.74 -0.22 0.00 0.29 0.23 0.00 0.00 176.35 177.40 2kjs n LYS 63 N 5.16 1.88 -3.99 1.70 4.76 -1.26 -4.90 118.16 121.51 2kjs n LYS 63 Ca -0.05 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.07 2kjs n LYS 63 Cb 0.50 -0.70 -0.06 0.00 -1.84 0.00 0.00 35.03 32.93 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2kjs s ASN 64 N -1.69 6.01 0.14 4.39 3.84 -1.26 -4.88 114.94 121.50 2kjs s ASN 64 Ca 0.00 0.20 -0.14 0.00 0.21 0.00 0.00 52.86 53.13 2kjs s ASN 64 Cb 0.00 -1.79 0.02 0.00 -0.55 0.00 0.00 41.25 38.93 2kjs s ASN 64 CO 0.00 0.22 1.65 0.58 -2.79 0.00 0.00 177.10 176.77 2kjs h VAL 65 N 2.69 1.23 -0.96 -5.21 2.07 -1.78 -2.77 116.25 111.52 2kjs h VAL 65 Ca -0.48 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.29 2kjs h VAL 65 Cb 1.17 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 2kjs h VAL 65 CO 0.68 0.29 0.63 1.23 0.02 0.00 0.00 177.57 180.42 2kjs h GLY 66 N 0.63 1.41 1.34 2.17 0.00 -1.92 -1.17 103.07 105.53 2kjs h GLY 66 Ca 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2kjs h GLY 66 CO -0.00 0.36 0.27 -1.80 0.00 0.00 0.00 176.54 175.38 2kjs h ASP 67 N 1.16 0.78 -0.65 0.19 1.82 -1.85 -2.34 116.42 115.52 2kjs h ASP 67 Ca 0.40 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 2kjs h ASP 67 Cb 0.10 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 2kjs h ASP 67 CO -0.14 0.67 0.29 0.25 -1.61 0.00 0.00 179.24 178.71 2kjs h LEU 68 N 0.86 0.86 -0.68 2.28 6.46 -0.98 -2.37 115.31 121.73 2kjs h LEU 68 Ca 0.21 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2kjs h LEU 68 Cb 0.12 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 2kjs h LEU 68 CO -0.02 0.77 0.41 0.00 -0.62 0.00 0.00 178.44 178.97 2kjs h ALA 69 N 1.13 0.91 -0.28 1.25 0.00 -1.03 -1.07 119.26 120.17 2kjs h ALA 69 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kjs h ALA 69 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kjs h ALA 69 CO -0.02 0.14 0.02 0.22 0.00 0.00 0.00 179.25 179.61 2kjs h ASP 70 N 0.78 0.37 -0.45 0.00 3.58 -1.22 -2.54 116.42 116.93 2kjs h ASP 70 Ca 0.29 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2kjs h ASP 70 Cb 0.10 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2kjs h ASP 70 CO -0.14 0.42 0.25 0.25 -2.88 0.00 0.00 179.24 177.14 2kjs h LEU 71 N 0.40 0.57 -0.36 2.28 7.12 -0.69 0.15 115.31 124.77 2kjs h LEU 71 Ca 0.09 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2kjs h LEU 71 Cb 0.23 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 2kjs h LEU 71 CO 0.00 0.49 0.20 0.58 -0.13 0.00 0.00 178.44 179.59 2kjs h VAL 72 N 0.60 1.14 -0.08 1.05 2.07 -1.11 -2.27 116.25 117.65 2kjs h VAL 72 Ca 0.16 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2kjs h VAL 72 Cb 0.05 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2kjs h VAL 72 CO -0.03 0.14 -0.27 0.44 0.02 0.00 0.00 177.57 177.88 2kjs h ASP 73 N 0.46 0.13 -0.18 0.57 3.32 -1.22 -2.43 116.42 117.08 2kjs h ASP 73 Ca 0.13 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2kjs h ASP 73 Cb 0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2kjs h ASP 73 CO -0.02 0.41 0.08 0.50 -1.72 0.00 0.00 179.24 178.49 2kjs h LYS 74 N 0.12 0.26 -0.58 3.56 3.64 -0.16 0.61 116.57 124.02 2kjs h LYS 74 Ca 0.02 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2kjs h LYS 74 Cb 0.55 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2kjs h LYS 74 CO 0.04 0.30 0.16 0.87 -2.27 0.00 0.00 179.45 178.56 2kjs h LYS 75 N 0.16 0.92 0.00 1.90 1.57 -1.29 -1.03 116.57 118.81 2kjs h LYS 75 Ca 0.06 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2kjs h LYS 75 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kjs h LYS 75 CO -0.01 0.84 0.00 1.28 -0.57 0.00 0.00 179.45 180.99 2kjs n LEU 76 N -4.39 0.58 -0.02 2.94 4.77 -0.93 -2.39 117.00 117.56 2kjs n LEU 76 Ca 0.03 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.40 2kjs n LEU 76 Cb 0.22 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 2kjs n LEU 76 CO 0.40 -0.23 -0.09 0.00 -1.33 0.00 0.00 177.39 176.14 2kjs h ALA 77 N 2.56 0.07 -0.33 -1.18 0.00 0.95 -2.98 119.26 118.34 2kjs h ALA 77 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 54.91 53.97 2kjs h ALA 77 Cb 0.58 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kjs h ALA 77 CO 0.00 0.46 -0.20 0.07 0.00 0.00 0.00 179.25 179.58 2kjs h ARG 78 N -0.63 0.63 -0.31 0.00 0.11 -1.24 -1.32 114.38 111.62 2kjs h ARG 78 Ca -0.18 -0.23 -0.03 0.00 0.10 0.00 0.00 59.98 59.64 2kjs h ARG 78 Cb 1.45 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.47 2kjs h ARG 78 CO 0.02 0.78 0.07 0.87 0.10 0.00 0.00 179.97 181.82 2kjs h LYS 79 N 0.56 0.49 -0.53 0.08 1.57 -1.60 0.53 116.57 117.67 2kjs h LYS 79 Ca 0.09 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2kjs h LYS 79 Cb 0.65 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2kjs h LYS 79 CO 0.05 0.56 0.11 -0.07 -0.57 0.00 0.00 179.45 179.53 2kjs h LEU 80 N 0.33 0.82 -0.09 2.94 3.38 -1.38 -2.05 115.31 119.27 2kjs h LEU 80 Ca 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kjs h LEU 80 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kjs h LEU 80 CO 0.00 0.86 -0.03 -0.62 0.09 0.00 0.00 178.44 178.74 2kjs n GLU 81 N -4.40 0.67 -3.75 1.13 1.02 -0.51 -4.94 120.64 109.86 2kjs n GLU 81 Ca 0.02 -0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 2kjs n GLU 81 Cb 0.25 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.18 2kjs n GLU 81 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kjs n HIS 82 N -1.08 -1.97 -0.16 -0.32 8.25 0.18 -4.87 115.22 115.25 2kjs n HIS 82 Ca 0.17 0.59 -0.10 0.00 -0.26 0.00 0.00 57.72 58.12 2kjs n HIS 82 Cb 0.22 -3.09 -0.00 0.00 1.12 0.00 0.00 29.99 28.24 2kjs n HIS 82 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kjs h HIS 83 N -1.14 0.94 -0.14 4.41 2.76 -1.58 -3.33 115.15 117.06 2kjs h HIS 83 Ca -0.58 -0.18 -0.60 0.00 -2.20 0.00 0.00 60.37 56.80 2kjs h HIS 83 Cb 1.34 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 30.08 2kjs h HIS 83 CO 0.28 0.91 2.20 0.72 -1.30 0.00 0.00 177.93 180.74 2kjs n HIS 84 N -4.31 2.47 -0.13 5.26 8.25 -1.26 -4.66 115.22 120.83 2kjs n HIS 84 Ca 0.00 -1.99 -0.10 0.00 -0.26 0.00 0.00 57.72 55.37 2kjs n HIS 84 Cb 0.34 -2.07 -0.01 0.00 1.12 0.00 0.00 29.99 29.37 2kjs n HIS 84 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjs h HIS 85 N 7.92 0.65 -3.54 4.41 3.86 -1.96 -3.37 115.15 123.12 2kjs h HIS 85 Ca 0.41 -0.08 -0.67 0.00 -1.16 0.00 0.00 60.37 58.87 2kjs h HIS 85 Cb 0.73 -0.18 -0.38 0.00 1.06 0.00 0.00 27.41 28.64 2kjs h HIS 85 CO 1.28 0.64 -0.58 -1.58 0.86 0.00 0.00 177.93 178.55 2kjs s HIS 86 N -5.27 3.53 0.00 2.45 2.46 -1.26 -5.23 115.29 111.97 2kjs s HIS 86 Ca -0.13 -2.81 0.00 0.00 0.47 0.00 0.00 55.06 52.59 2kjs s HIS 86 Cb 0.10 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 2kjs s HIS 86 CO 0.77 -0.89 0.00 0.72 -2.47 0.00 0.00 174.74 172.86