#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 3.68 0.00 0.03 0.04 -1.26 -4.90 135.00 132.59 2kjs s PRO 2 Ca 0.00 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2kjs s PRO 2 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2kjs s PRO 2 CO 0.00 -1.45 0.00 0.25 0.04 0.00 0.00 177.00 175.84 2kjs n THR 3 N 6.83 0.00 -0.18 1.26 -2.24 -1.26 -4.08 114.28 114.61 2kjs n THR 3 Ca 0.11 0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 62.22 2kjs n THR 3 Cb 0.49 -1.41 0.01 0.00 -2.10 0.00 0.00 70.33 67.32 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 0.87 -2.07 3.22 -0.00 -1.98 -2.02 115.31 113.34 2kjs h LEU 4 Ca 0.00 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kjs h LEU 4 Cb 0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2kjs h LEU 4 CO 0.00 0.94 -0.02 -2.24 -0.00 0.00 0.00 178.44 177.13 2kjs h ASP 5 N 0.77 0.00 0.48 -0.43 2.03 -1.96 -1.69 116.42 115.62 2kjs h ASP 5 Ca 0.15 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.15 2kjs h ASP 5 Cb 0.48 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.96 2kjs h ASP 5 CO 0.02 0.02 -1.54 0.00 -1.03 0.00 0.00 179.24 176.70 2kjs h ALA 6 N 1.98 0.36 -0.00 4.15 0.00 -1.57 -3.31 119.26 120.88 2kjs h ALA 6 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2kjs h ALA 6 Cb 0.31 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kjs h ALA 6 CO 0.00 1.22 -0.12 1.28 0.00 0.00 0.00 179.25 181.64 2kjs n LEU 7 N -3.39 0.45 0.12 0.00 4.77 -0.81 -3.95 117.00 114.20 2kjs n LEU 7 Ca -0.16 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 2kjs n LEU 7 Cb 1.04 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 2kjs n LEU 7 CO 0.49 0.09 0.20 0.71 -1.33 0.00 0.00 177.39 177.55 2kjs h THR 8 N 0.53 0.00 -0.83 -5.08 1.35 -1.40 -2.75 112.91 104.72 2kjs h THR 8 Ca 0.00 -0.43 0.06 0.00 -0.55 0.00 0.00 66.41 65.49 2kjs h THR 8 Cb 0.37 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.74 2kjs h THR 8 CO 0.00 0.00 0.54 1.55 -0.25 0.00 0.00 175.52 177.36 2kjs h PRO 9 N -0.79 0.90 -0.24 4.72 0.13 -1.73 0.37 132.00 135.36 2kjs h PRO 9 Ca -0.04 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2kjs h PRO 9 Cb 0.28 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2kjs h PRO 9 CO 0.06 0.60 0.09 0.82 -0.23 0.00 0.00 178.00 179.34 2kjs h ILE 10 N 0.93 1.18 -0.10 -3.56 2.04 -1.69 -0.88 117.51 115.43 2kjs h ILE 10 Ca 0.35 -0.55 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 2kjs h ILE 10 Cb 0.20 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2kjs h ILE 10 CO -0.12 0.18 -0.68 -0.26 0.00 0.00 0.00 178.15 177.27 2kjs h PHE 11 N 0.23 0.87 0.00 1.37 -1.00 -1.13 -0.23 116.94 117.06 2kjs h PHE 11 Ca 0.08 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.45 2kjs h PHE 11 Cb 0.20 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.63 2kjs h PHE 11 CO -0.00 1.22 0.00 0.00 -1.61 0.00 0.00 178.31 177.91 2kjs h ARG 12 N 0.28 0.00 0.00 1.51 3.08 -0.24 0.42 114.38 119.42 2kjs h ARG 12 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kjs h ARG 12 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2kjs h ARG 12 CO 0.14 0.00 -0.23 1.04 -1.07 0.00 0.00 179.97 179.84 2kjs n GLN 13 N -2.97 0.14 -0.07 0.04 1.13 -0.34 -3.51 117.38 111.80 2kjs n GLN 13 Ca -0.01 0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 2kjs n GLN 13 Cb 0.15 -0.86 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 2kjs n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kjs h VAL 14 N -0.29 1.14 -1.09 5.09 2.07 -1.10 -2.84 116.25 119.23 2kjs h VAL 14 Ca 0.00 -0.39 -0.68 0.00 0.82 0.00 0.00 66.70 66.44 2kjs h VAL 14 Cb 0.23 0.94 -0.29 0.00 -1.52 0.00 0.00 31.29 30.65 2kjs h VAL 14 CO 0.00 0.14 0.83 0.49 0.02 0.00 0.00 177.57 179.05 2kjs n PHE 15 N -4.83 3.20 -0.56 1.57 3.01 0.14 -4.88 117.46 115.11 2kjs n PHE 15 Ca -0.03 -2.94 -0.37 0.00 1.01 0.00 0.00 57.45 55.13 2kjs n PHE 15 Cb 0.10 -1.39 -0.08 0.00 -0.01 0.00 0.00 39.48 38.09 2kjs n PHE 15 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2kjs n ASP 16 N -0.87 1.31 0.00 4.37 5.75 -0.96 -4.57 116.55 121.58 2kjs n ASP 16 Ca 0.61 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2kjs n ASP 16 Cb 0.63 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2kjs n ASP 16 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kjs n ASP 17 N 7.88 0.00 -3.27 -1.12 8.00 -1.26 -5.01 116.55 121.77 2kjs n ASP 17 Ca 0.40 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.89 2kjs n ASP 17 Cb 0.34 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 2kjs n ASP 17 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kjs s ASP 18 N -1.05 -0.70 -0.43 -2.24 -4.77 -1.26 -4.91 116.67 101.31 2kjs s ASP 18 Ca 0.00 0.66 -0.04 0.00 -3.30 0.00 0.00 52.55 49.87 2kjs s ASP 18 Cb 0.00 1.73 0.04 0.00 -1.09 0.00 0.00 42.92 43.60 2kjs s ASP 18 CO 0.00 -0.27 0.11 -1.20 0.70 0.00 0.00 175.17 174.51 2kjs n SER 19 N 5.40 -1.49 -4.72 2.11 7.64 -1.26 -4.79 113.62 116.51 2kjs n SER 19 Ca -0.03 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 2kjs n SER 19 Cb 0.51 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.31 2kjs n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kjs n ILE 20 N -2.87 0.91 -4.18 0.44 3.06 -1.26 -5.00 119.36 110.46 2kjs n ILE 20 Ca 0.00 -0.23 -0.17 0.00 -2.50 0.00 0.00 62.75 59.85 2kjs n ILE 20 Cb 0.50 -1.82 -0.12 0.00 0.54 0.00 0.00 39.64 38.74 2kjs n ILE 20 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2kjs s VAL 21 N 0.08 0.93 -0.06 9.51 0.11 -1.26 -4.87 120.40 124.84 2kjs s VAL 21 Ca 0.66 -1.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2kjs s VAL 21 Cb -0.54 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2kjs s VAL 21 CO 0.48 -0.20 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.24 2kjs s LEU 22 N -1.49 3.27 0.12 2.54 1.43 -1.26 -5.12 118.68 118.17 2kjs s LEU 22 Ca -0.03 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2kjs s LEU 22 Cb -0.09 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2kjs s LEU 22 CO 0.01 0.35 -0.09 0.42 0.23 0.00 0.00 176.35 177.28 2kjs s THR 23 N -0.86 0.95 0.23 5.49 -4.23 -1.26 -5.05 115.64 110.92 2kjs s THR 23 Ca 0.13 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2kjs s THR 23 Cb -0.11 -1.72 0.09 0.00 1.34 0.00 0.00 72.50 72.10 2kjs s THR 23 CO 0.03 -0.77 1.71 0.03 -0.54 0.00 0.00 174.62 175.07 2kjs h ARG 24 N 2.96 0.85 0.00 3.99 3.08 -2.02 -2.22 114.38 121.01 2kjs h ARG 24 Ca -0.36 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.43 2kjs h ARG 24 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2kjs h ARG 24 CO 0.63 0.88 0.00 -0.85 -1.07 0.00 0.00 179.97 179.55 2kjs n GLU 25 N -4.19 0.00 -1.99 0.04 0.28 -1.26 -4.69 120.64 108.84 2kjs n GLU 25 Ca 0.02 0.04 -0.41 0.00 -0.16 0.00 0.00 57.16 56.65 2kjs n GLU 25 Cb 0.34 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.68 2kjs n GLU 25 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2kjs s THR 26 N -2.06 2.61 0.00 3.84 -4.23 -0.84 -4.91 115.64 110.05 2kjs s THR 26 Ca 0.00 0.51 0.23 0.00 -1.18 0.00 0.00 61.69 61.24 2kjs s THR 26 Cb 0.00 -3.32 0.37 0.00 1.34 0.00 0.00 72.50 70.89 2kjs s THR 26 CO 0.00 0.08 1.15 -1.54 -0.54 0.00 0.00 174.62 173.76 2kjs n SER 27 N 2.39 0.83 -1.27 3.99 3.41 -1.26 -3.91 113.62 117.79 2kjs n SER 27 Ca 0.07 -2.00 0.16 0.00 -0.26 0.00 0.00 58.87 56.85 2kjs n SER 27 Cb 0.40 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 2kjs n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kjs n ALA 28 N 0.43 -3.32 -0.57 7.33 0.00 -1.26 -4.68 120.51 118.43 2kjs n ALA 28 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2kjs n ALA 28 Cb 1.09 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2kjs n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjs n ASN 29 N -4.08 -2.14 -0.03 0.00 5.03 -1.26 -4.67 115.26 108.11 2kjs n ASN 29 Ca -0.05 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.52 2kjs n ASN 29 Cb 0.60 -2.39 0.19 0.00 -1.02 0.00 0.00 39.78 37.16 2kjs n ASN 29 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kjs n ASP 30 N -0.08 0.66 -3.85 6.41 8.00 -1.26 -4.86 116.55 121.58 2kjs n ASP 30 Ca 0.00 -0.46 -0.15 0.00 0.71 0.00 0.00 54.79 54.89 2kjs n ASP 30 Cb 0.18 0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2kjs s ILE 31 N -2.94 0.13 0.35 0.53 2.07 -1.26 -5.03 121.20 115.05 2kjs s ILE 31 Ca 0.12 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 2kjs s ILE 31 Cb 0.17 -0.18 0.17 0.00 0.13 0.00 0.00 42.46 42.75 2kjs s ILE 31 CO 0.71 0.09 1.90 -2.24 -1.91 0.00 0.00 174.94 173.49 2kjs h ASP 32 N 6.75 0.44 0.00 4.50 2.03 -2.02 -3.30 116.42 124.83 2kjs h ASP 32 Ca -0.36 -0.08 -0.42 0.00 -0.73 0.00 0.00 57.03 55.45 2kjs h ASP 32 Cb 1.16 -0.11 0.03 0.00 -0.83 0.00 0.00 39.33 39.58 2kjs h ASP 32 CO 0.49 0.51 2.23 0.00 -1.03 0.00 0.00 179.24 181.44 2kjs n ALA 33 N -2.48 3.58 -2.95 4.15 0.00 -1.26 -4.39 120.51 117.15 2kjs n ALA 33 Ca 0.01 -2.14 -0.14 0.00 0.00 0.00 0.00 53.44 51.17 2kjs n ALA 33 Cb 0.23 -3.16 -0.01 0.00 0.00 0.00 0.00 19.45 16.52 2kjs n ALA 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kjs n TRP 34 N 5.53 -2.26 -3.20 0.00 -0.00 -1.24 -5.13 117.44 111.13 2kjs n TRP 34 Ca 0.40 -2.41 -0.37 0.00 -0.00 0.00 0.00 57.50 55.12 2kjs n TRP 34 Cb 0.21 0.83 -0.06 0.00 -0.00 0.00 0.00 31.31 32.29 2kjs n TRP 34 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2kjs s ASP 35 N -0.97 7.02 0.36 5.87 -1.08 -1.26 -4.97 116.67 121.65 2kjs s ASP 35 Ca 0.33 1.31 0.06 0.00 -0.52 0.00 0.00 52.55 53.73 2kjs s ASP 35 Cb 0.16 -2.38 0.70 0.00 -1.46 0.00 0.00 42.92 39.94 2kjs s ASP 35 CO -0.17 0.12 1.91 0.28 0.52 0.00 0.00 175.17 177.83 2kjs h SER 36 N 3.77 0.40 -0.68 -0.34 0.02 -1.98 0.40 113.55 115.14 2kjs h SER 36 Ca -0.48 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.37 2kjs h SER 36 Cb 1.20 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2kjs h SER 36 CO 0.65 0.47 0.30 -0.07 -1.14 0.00 0.00 176.83 177.04 2kjs h LEU 37 N 0.41 0.91 0.00 5.07 3.38 -2.03 -2.08 115.31 120.98 2kjs h LEU 37 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kjs h LEU 37 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kjs h LEU 37 CO 0.01 0.81 -0.20 -1.20 0.09 0.00 0.00 178.44 177.95 2kjs n SER 38 N -4.43 0.62 -0.18 -0.43 7.64 -0.93 -3.69 113.62 112.22 2kjs n SER 38 Ca 0.05 0.38 -0.09 0.00 1.01 0.00 0.00 58.87 60.22 2kjs n SER 38 Cb 0.15 -0.41 0.01 0.00 -1.01 0.00 0.00 64.21 62.95 2kjs n SER 38 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kjs h HIS 39 N 0.00 0.86 -0.66 1.43 6.17 -0.20 -1.11 115.15 121.64 2kjs h HIS 39 Ca 0.00 -0.11 -0.08 0.00 0.71 0.00 0.00 60.37 60.89 2kjs h HIS 39 Cb 0.68 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 30.34 2kjs h HIS 39 CO 0.00 0.77 0.10 0.52 0.71 0.00 0.00 177.93 180.04 2kjs h MET 40 N 0.70 1.10 -0.55 5.26 2.86 -1.61 -2.52 114.93 120.16 2kjs h MET 40 Ca 0.16 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 2kjs h MET 40 Cb 0.36 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2kjs h MET 40 CO 0.00 1.01 0.03 -0.91 1.06 0.00 0.00 176.91 178.11 2kjs h ASN 41 N 1.02 0.89 0.56 1.22 2.35 -1.64 0.78 115.58 120.76 2kjs h ASN 41 Ca 0.20 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2kjs h ASN 41 Cb 0.45 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.58 2kjs h ASN 41 CO 0.01 0.93 -0.27 0.25 -1.65 0.00 0.00 177.43 176.71 2kjs h LEU 42 N 0.86 -0.63 -0.60 1.61 6.46 -0.92 0.12 115.31 122.20 2kjs h LEU 42 Ca 0.17 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 2kjs h LEU 42 Cb 0.47 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2kjs h LEU 42 CO 0.02 -0.39 -0.01 -0.29 -0.62 0.00 0.00 178.44 177.16 2kjs h ILE 43 N -0.85 1.27 -0.43 4.05 6.09 -1.46 -2.43 117.51 123.74 2kjs h ILE 43 Ca -0.08 -1.16 -0.00 0.00 -1.37 0.00 0.00 64.86 62.25 2kjs h ILE 43 Cb 0.61 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2kjs h ILE 43 CO 0.13 0.42 0.27 0.58 -3.07 0.00 0.00 178.15 176.48 2kjs h VAL 44 N 0.97 1.13 -0.38 2.19 2.07 -0.79 0.75 116.25 122.19 2kjs h VAL 44 Ca 0.17 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2kjs h VAL 44 Cb 0.57 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2kjs h VAL 44 CO 0.03 0.13 0.23 0.77 0.02 0.00 0.00 177.57 178.75 2kjs h SER 45 N 0.58 0.39 -0.10 0.57 4.64 -0.61 -1.66 113.55 117.35 2kjs h SER 45 Ca 0.16 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 2kjs h SER 45 Cb -0.02 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2kjs h SER 45 CO -0.03 0.28 -0.40 0.25 -0.87 0.00 0.00 176.83 176.06 2kjs h LEU 46 N 0.48 0.67 0.28 5.97 6.46 -1.11 -2.45 115.31 125.60 2kjs h LEU 46 Ca 0.14 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2kjs h LEU 46 Cb -0.02 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 2kjs h LEU 46 CO -0.05 0.99 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.41 2kjs h GLU 47 N 0.52 -0.56 -0.35 1.25 4.81 0.11 -1.01 114.58 119.35 2kjs h GLU 47 Ca 0.04 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2kjs h GLU 47 Cb 0.92 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2kjs h GLU 47 CO 0.08 -0.37 -0.05 -0.24 -0.73 0.00 0.00 179.01 177.70 2kjs h VAL 48 N -0.58 1.22 -0.50 0.32 3.04 -1.36 0.29 116.25 118.67 2kjs h VAL 48 Ca -0.01 -0.92 0.01 0.00 -1.01 0.00 0.00 66.70 64.77 2kjs h VAL 48 Cb 0.53 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.79 2kjs h VAL 48 CO -0.05 0.31 0.33 0.45 -1.01 0.00 0.00 177.57 177.60 2kjs h HIS 49 N 0.53 0.62 -0.01 3.17 3.86 -0.99 -2.06 115.15 120.27 2kjs h HIS 49 Ca 0.11 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2kjs h HIS 49 Cb 0.42 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2kjs h HIS 49 CO 0.02 0.38 -0.21 0.66 0.86 0.00 0.00 177.93 179.64 2kjs n TYR 50 N -4.75 0.00 -3.58 2.45 4.02 -0.42 -4.97 117.16 109.91 2kjs n TYR 50 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.67 2kjs n TYR 50 Cb 0.03 -0.08 0.05 0.00 -0.02 0.00 0.00 39.34 39.32 2kjs n TYR 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2kjs n LYS 51 N -0.32 -2.55 -4.36 -0.72 4.81 0.95 -5.00 118.16 110.97 2kjs n LYS 51 Ca 0.13 0.61 -0.18 0.00 -0.87 0.00 0.00 58.31 58.00 2kjs n LYS 51 Cb 0.37 -4.87 -0.10 0.00 0.02 0.00 0.00 35.03 30.44 2kjs n LYS 51 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2kjs s ILE 52 N -3.51 1.11 -0.00 3.15 -4.36 -0.74 -5.03 121.20 111.82 2kjs s ILE 52 Ca 0.33 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 2kjs s ILE 52 Cb -0.09 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 2kjs s ILE 52 CO 0.82 -0.26 -0.19 -0.54 0.24 0.00 0.00 174.94 175.00 2kjs s LYS 53 N -3.86 1.48 0.03 0.37 1.02 -1.26 -4.69 119.74 112.82 2kjs s LYS 53 Ca 0.30 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.59 2kjs s LYS 53 Cb 0.06 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2kjs s LYS 53 CO 0.10 0.39 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.85 2kjs s PHE 54 N -0.53 3.01 0.16 3.18 0.08 -1.26 -5.12 117.98 117.51 2kjs s PHE 54 Ca 0.07 0.03 -0.09 0.00 0.12 0.00 0.00 56.93 57.06 2kjs s PHE 54 Cb -0.08 -1.62 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 2kjs s PHE 54 CO -0.00 0.45 0.46 0.00 -0.10 0.00 0.00 175.22 176.03 2kjs s ALA 55 N -1.13 3.67 0.18 5.36 0.00 -1.26 -4.97 121.76 123.60 2kjs s ALA 55 Ca 0.21 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 2kjs s ALA 55 Cb -0.11 -2.32 0.09 0.00 0.00 0.00 0.00 23.12 20.78 2kjs s ALA 55 CO 0.12 0.56 1.78 1.25 0.00 0.00 0.00 175.76 179.48 2kjs h LEU 56 N 3.02 0.79 -1.17 0.00 5.85 -1.99 0.34 115.31 122.16 2kjs h LEU 56 Ca -0.47 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2kjs h LEU 56 Cb 1.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2kjs h LEU 56 CO 0.69 0.68 0.40 1.23 -0.34 0.00 0.00 178.44 181.10 2kjs h GLY 57 N 0.85 1.04 1.70 3.75 0.00 -2.01 -1.84 103.07 106.56 2kjs h GLY 57 Ca 0.22 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2kjs h GLY 57 CO -0.03 0.43 -0.51 0.83 0.00 0.00 0.00 176.54 177.26 2kjs h GLU 58 N 0.98 0.00 -0.36 4.80 3.07 -1.87 -3.21 114.58 118.00 2kjs h GLU 58 Ca 0.25 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 2kjs h GLU 58 Cb 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2kjs h GLU 58 CO -0.04 0.19 0.14 1.25 -1.40 0.00 0.00 179.01 179.15 2kjs h LEU 59 N 0.00 0.50 -0.00 1.33 7.12 0.52 -2.07 115.31 122.71 2kjs h LEU 59 Ca -0.02 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.82 2kjs h LEU 59 Cb 1.19 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 2kjs h LEU 59 CO 0.03 0.53 0.00 0.00 -0.13 0.00 0.00 178.44 178.86 2kjs n GLN 60 N -4.68 0.00 0.00 1.25 6.02 -1.06 -2.83 117.38 116.08 2kjs n GLN 60 Ca -0.01 0.04 0.15 0.00 -0.01 0.00 0.00 57.00 57.17 2kjs n GLN 60 Cb 0.14 -1.50 0.75 0.00 1.02 0.00 0.00 30.24 30.65 2kjs n GLN 60 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2kjs n LYS 61 N -1.51 0.66 -2.62 -1.09 3.00 -0.78 -4.70 118.16 111.11 2kjs n LYS 61 Ca 0.06 -0.09 -0.42 0.00 -0.00 0.00 0.00 58.31 57.87 2kjs n LYS 61 Cb 0.32 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kjs s LEU 62 N -2.41 3.51 0.00 3.14 1.43 -1.13 -4.88 118.68 118.35 2kjs s LEU 62 Ca 0.33 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2kjs s LEU 62 Cb 0.21 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2kjs s LEU 62 CO 0.44 -1.52 0.00 0.29 0.23 0.00 0.00 176.35 175.79 2kjs n LYS 63 N 8.48 0.00 -2.60 1.70 4.76 -1.26 -5.02 118.16 124.21 2kjs n LYS 63 Ca 0.06 0.07 -0.22 0.00 -2.87 0.00 0.00 58.31 55.35 2kjs n LYS 63 Cb 0.49 -0.37 0.04 0.00 -1.84 0.00 0.00 35.03 33.35 2kjs n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kjs s ASN 64 N -1.96 5.24 0.15 4.39 2.20 -1.26 -4.69 114.94 119.02 2kjs s ASN 64 Ca 0.00 0.05 -0.13 0.00 -0.94 0.00 0.00 52.86 51.83 2kjs s ASN 64 Cb 0.00 -0.91 0.03 0.00 -2.00 0.00 0.00 41.25 38.37 2kjs s ASN 64 CO 0.00 -1.18 1.67 0.58 -2.94 0.00 0.00 177.10 175.23 2kjs h VAL 65 N 0.01 1.23 -0.52 3.54 2.07 -1.91 -2.45 116.25 118.23 2kjs h VAL 65 Ca -0.42 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.42 2kjs h VAL 65 Cb 1.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2kjs h VAL 65 CO 0.53 0.29 0.36 1.23 0.02 0.00 0.00 177.57 180.01 2kjs h GLY 66 N 0.68 0.18 1.03 2.17 0.00 -1.85 0.24 103.07 105.52 2kjs h GLY 66 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 2kjs h GLY 66 CO -0.00 0.02 0.24 -1.80 0.00 0.00 0.00 176.54 175.00 2kjs h ASP 67 N 0.12 0.98 -0.51 0.19 3.58 -1.83 -0.10 116.42 118.86 2kjs h ASP 67 Ca 0.25 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2kjs h ASP 67 Cb 0.82 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2kjs h ASP 67 CO -0.03 0.91 0.20 0.25 -2.88 0.00 0.00 179.24 177.70 2kjs h LEU 68 N 1.00 0.70 -0.75 2.28 6.46 -0.95 -1.09 115.31 122.95 2kjs h LEU 68 Ca 0.22 -0.17 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 2kjs h LEU 68 Cb 0.27 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2kjs h LEU 68 CO -0.01 0.68 0.09 0.00 -0.62 0.00 0.00 178.44 178.58 2kjs h ALA 69 N 1.05 0.96 -0.58 1.25 0.00 -1.18 -2.61 119.26 118.15 2kjs h ALA 69 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2kjs h ALA 69 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kjs h ALA 69 CO -0.01 0.65 0.15 0.22 0.00 0.00 0.00 179.25 180.26 2kjs h ASP 70 N 0.98 0.84 -0.75 0.00 3.58 -0.70 -2.54 116.42 117.83 2kjs h ASP 70 Ca 0.19 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2kjs h ASP 70 Cb 0.44 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 2kjs h ASP 70 CO 0.01 0.81 0.36 0.25 -2.88 0.00 0.00 179.24 177.79 2kjs h LEU 71 N 0.87 0.98 -0.46 2.28 5.85 -0.85 -1.41 115.31 122.57 2kjs h LEU 71 Ca 0.19 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kjs h LEU 71 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2kjs h LEU 71 CO -0.00 0.84 0.29 0.58 -0.34 0.00 0.00 178.44 179.80 2kjs h VAL 72 N 1.05 1.14 -0.56 1.05 2.07 -1.13 0.14 116.25 120.00 2kjs h VAL 72 Ca 0.26 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2kjs h VAL 72 Cb 0.12 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2kjs h VAL 72 CO -0.03 0.14 0.31 0.44 0.02 0.00 0.00 177.57 178.45 2kjs h ASP 73 N 0.62 0.70 -0.59 0.57 3.32 -1.16 -0.96 116.42 118.91 2kjs h ASP 73 Ca 0.17 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2kjs h ASP 73 Cb -0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2kjs h ASP 73 CO -0.03 0.58 0.15 0.11 -1.72 0.00 0.00 179.24 178.32 2kjs h LYS 74 N 0.76 0.93 -0.67 3.56 1.57 -0.88 -1.86 116.57 119.98 2kjs h LYS 74 Ca 0.20 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2kjs h LYS 74 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2kjs h LYS 74 CO -0.03 0.86 0.35 -0.22 -0.57 0.00 0.00 179.45 179.84 2kjs h LYS 75 N 0.84 0.95 -0.65 3.15 3.64 -0.41 -2.52 116.57 121.57 2kjs h LYS 75 Ca 0.18 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2kjs h LYS 75 Cb 0.34 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2kjs h LYS 75 CO 0.00 0.73 0.22 -0.07 -2.27 0.00 0.00 179.45 178.06 2kjs h LEU 76 N 0.92 0.94 0.58 5.20 3.38 -0.98 -1.31 115.31 124.05 2kjs h LEU 76 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2kjs h LEU 76 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2kjs h LEU 76 CO -0.03 0.89 -0.47 0.00 0.09 0.00 0.00 178.44 178.92 2kjs h ALA 77 N 1.09 -1.11 -0.29 1.53 0.00 -1.00 -1.41 119.26 118.07 2kjs h ALA 77 Ca 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kjs h ALA 77 Cb 0.28 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kjs h ALA 77 CO -0.01 -1.15 0.19 0.07 0.00 0.00 0.00 179.25 178.35 2kjs h ARG 78 N -1.03 0.34 -0.61 0.00 0.11 -1.45 -2.20 114.38 109.54 2kjs h ARG 78 Ca -0.07 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 2kjs h ARG 78 Cb 0.87 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.84 2kjs h ARG 78 CO -0.00 0.22 0.24 -0.22 0.10 0.00 0.00 179.97 180.32 2kjs h LYS 79 N 0.35 0.91 -0.52 0.08 1.63 -0.69 0.31 116.57 118.64 2kjs h LYS 79 Ca 0.11 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2kjs h LYS 79 Cb 0.01 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2kjs h LYS 79 CO -0.02 0.77 0.18 -0.07 -3.45 0.00 0.00 179.45 176.86 2kjs h LEU 80 N 0.85 0.74 -0.86 5.20 3.38 -0.64 -2.40 115.31 121.58 2kjs h LEU 80 Ca 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kjs h LEU 80 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kjs h LEU 80 CO -0.02 0.74 0.00 -1.84 0.09 0.00 0.00 178.44 177.41 2kjs n GLU 81 N -4.50 1.58 -1.51 1.13 0.28 -1.12 -4.88 120.64 111.63 2kjs n GLU 81 Ca 0.02 -0.86 -0.30 0.00 -0.16 0.00 0.00 57.16 55.86 2kjs n GLU 81 Cb 0.19 -1.44 -0.17 0.00 1.43 0.00 0.00 31.44 31.44 2kjs n GLU 81 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kjs n HIS 82 N 0.05 0.41 -0.78 -1.84 -0.00 0.11 -4.51 115.22 108.66 2kjs n HIS 82 Ca 0.18 0.17 0.08 0.00 0.46 0.00 0.00 57.72 58.61 2kjs n HIS 82 Cb 0.31 -1.57 -0.02 0.00 -0.12 0.00 0.00 29.99 28.58 2kjs n HIS 82 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kjs n HIS 83 N 9.18 -2.61 0.73 1.57 8.25 -1.26 -4.13 115.22 126.95 2kjs n HIS 83 Ca 0.64 0.72 0.13 0.00 -0.26 0.00 0.00 57.72 58.95 2kjs n HIS 83 Cb 0.14 -1.33 0.31 0.00 1.12 0.00 0.00 29.99 30.23 2kjs n HIS 83 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kjs n HIS 84 N -2.04 0.45 -3.24 4.41 8.25 -1.26 -5.00 115.22 116.79 2kjs n HIS 84 Ca 0.00 0.13 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 2kjs n HIS 84 Cb 0.27 -0.62 0.02 0.00 1.12 0.00 0.00 29.99 30.77 2kjs n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kjs n HIS 85 N -1.94 -2.00 -2.83 4.41 -0.00 -1.26 -4.87 115.22 106.74 2kjs n HIS 85 Ca 0.05 0.84 -0.41 0.00 -0.00 0.00 0.00 57.72 58.20 2kjs n HIS 85 Cb 0.40 -2.02 -0.04 0.00 -0.00 0.00 0.00 29.99 28.33 2kjs n HIS 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kjs s HIS 86 N -1.46 3.60 0.00 1.57 2.46 -1.26 -5.23 115.29 114.96 2kjs s HIS 86 Ca 0.20 1.51 0.00 0.00 0.47 0.00 0.00 55.06 57.24 2kjs s HIS 86 Cb -0.03 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.40 2kjs s HIS 86 CO 0.55 -0.02 0.00 1.58 -2.47 0.00 0.00 174.74 174.38