#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjb n THR 10 N 0.00 -6.35 -0.30 3.41 -2.24 -1.26 -4.34 114.28 103.21 2kjb n THR 10 Ca 0.00 -0.28 0.16 0.00 -2.27 0.00 0.00 64.05 61.66 2kjb n THR 10 Cb 0.00 -4.68 0.42 0.00 -2.10 0.00 0.00 70.33 63.97 2kjb n THR 10 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kjb h ASP 11 N -0.32 0.59 -0.29 3.42 3.58 -2.06 0.69 116.42 122.03 2kjb h ASP 11 Ca -0.41 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.15 2kjb h ASP 11 Cb 1.24 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 2kjb h ASP 11 CO 0.36 0.23 0.07 0.71 -2.88 0.00 0.00 179.24 177.73 2kjb h THR 12 N 0.59 0.88 0.07 2.25 1.35 -2.02 -2.55 112.91 113.47 2kjb h THR 12 Ca 0.52 -0.06 -0.26 0.00 -0.55 0.00 0.00 66.41 66.06 2kjb h THR 12 Cb 1.03 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 2kjb h THR 12 CO -0.26 0.03 -1.25 -0.07 -0.25 0.00 0.00 175.52 173.71 2kjb h LEU 13 N 0.18 0.22 -0.80 3.87 3.38 -1.50 -3.26 115.31 117.41 2kjb h LEU 13 Ca 0.13 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.02 2kjb h LEU 13 Cb 0.13 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 2kjb h LEU 13 CO -0.17 1.21 0.29 -0.08 0.09 0.00 0.00 178.44 179.78 2kjb h GLU 14 N 0.04 0.36 -0.06 1.13 4.81 0.60 0.51 114.58 121.96 2kjb h GLU 14 Ca -0.12 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.91 2kjb h GLU 14 Cb 1.91 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2kjb h GLU 14 CO 0.16 0.24 -0.73 0.00 -0.73 0.00 0.00 179.01 177.95 2kjb h ARG 15 N 0.37 0.33 0.00 1.92 2.47 -1.56 -3.02 114.38 114.88 2kjb h ARG 15 Ca 0.47 -0.27 -0.05 0.00 -1.26 0.00 0.00 59.98 58.87 2kjb h ARG 15 Cb 0.81 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 2kjb h ARG 15 CO -0.49 0.92 -0.23 0.28 0.56 0.00 0.00 179.97 181.01 2kjb h VAL 16 N 0.22 0.52 0.00 2.04 2.07 -0.89 -2.51 116.25 117.70 2kjb h VAL 16 Ca -0.03 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2kjb h VAL 16 Cb 1.29 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2kjb h VAL 16 CO 0.12 0.23 -0.11 0.71 0.02 0.00 0.00 177.57 178.54 2kjb h THR 17 N 0.00 0.21 0.01 2.57 1.35 -0.00 -3.07 112.91 113.99 2kjb h THR 17 Ca -0.00 -1.13 -0.20 0.00 -0.55 0.00 0.00 66.41 64.53 2kjb h THR 17 Cb 0.84 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 2kjb h THR 17 CO 0.03 0.11 -0.92 -0.33 -0.25 0.00 0.00 175.52 174.16 2kjb h GLU 18 N 0.00 0.09 0.71 4.72 5.08 -1.35 -2.87 114.58 120.96 2kjb h GLU 18 Ca -0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2kjb h GLU 18 Cb 0.94 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.24 2kjb h GLU 18 CO 0.01 0.94 -0.34 0.82 -1.00 0.00 0.00 179.01 179.45 2kjb h ILE 19 N 0.04 0.26 -0.84 3.13 2.04 -1.45 -2.67 117.51 118.03 2kjb h ILE 19 Ca -0.03 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2kjb h ILE 19 Cb 1.58 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2kjb h ILE 19 CO 0.13 0.01 0.55 -0.26 0.00 0.00 0.00 178.15 178.59 2kjb h PHE 20 N -1.03 1.05 0.00 1.37 0.04 -1.67 -0.20 116.94 116.50 2kjb h PHE 20 Ca -0.10 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2kjb h PHE 20 Cb 0.75 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2kjb h PHE 20 CO -0.01 0.65 0.00 1.63 -0.60 0.00 0.00 178.31 179.98 2kjb n LYS 21 N -4.51 0.10 0.10 1.51 5.02 -1.08 -1.85 118.16 117.45 2kjb n LYS 21 Ca 0.09 0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.36 2kjb n LYS 21 Cb 0.02 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 2kjb n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjb h ALA 22 N 2.29 -0.11 -0.93 7.82 0.00 -0.67 -3.46 119.26 124.21 2kjb h ALA 22 Ca 0.00 -0.78 -0.81 0.00 0.00 0.00 0.00 54.91 53.32 2kjb h ALA 22 Cb 0.05 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kjb h ALA 22 CO 0.00 0.57 0.62 1.28 0.00 0.00 0.00 179.25 181.72 2kjb n LEU 23 N -3.89 1.08 0.00 0.00 4.77 -0.77 -4.93 117.00 113.26 2kjb n LEU 23 Ca -0.15 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2kjb n LEU 23 Cb 0.97 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2kjb n LEU 23 CO 0.56 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 2kjb n GLY 24 N 3.62 0.65 3.76 -0.72 0.00 -1.26 -5.03 105.19 106.21 2kjb n GLY 24 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2kjb n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjb s ASP 25 N -1.00 7.54 0.55 1.61 -1.08 -1.26 -4.91 116.67 118.11 2kjb s ASP 25 Ca 0.00 1.87 0.39 0.00 -0.52 0.00 0.00 52.55 54.29 2kjb s ASP 25 Cb 0.00 -2.58 1.56 0.00 -1.46 0.00 0.00 42.92 40.44 2kjb s ASP 25 CO 0.00 0.12 1.74 1.88 0.52 0.00 0.00 175.17 179.43 2kjb h TYR 26 N 3.95 0.00 0.00 -5.34 0.05 -2.04 0.90 116.97 114.50 2kjb h TYR 26 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2kjb h TYR 26 Cb 1.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.94 2kjb h TYR 26 CO 0.62 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.82 2kjb n ASN 27 N -4.07 0.00 -0.01 3.88 3.02 -1.26 -2.54 115.26 114.29 2kjb n ASN 27 Ca 0.28 0.30 -0.11 0.00 -0.03 0.00 0.00 54.58 55.02 2kjb n ASN 27 Cb 1.38 -0.32 -0.06 0.00 -0.61 0.00 0.00 39.78 40.17 2kjb n ASN 27 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2kjb h ARG 28 N 0.00 0.13 -0.47 3.52 2.43 0.48 -3.06 114.38 117.41 2kjb h ARG 28 Ca 0.00 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2kjb h ARG 28 Cb 0.01 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 2kjb h ARG 28 CO 0.00 0.20 0.06 0.97 -1.51 0.00 0.00 179.97 179.69 2kjb h ILE 29 N 0.03 0.70 -0.69 1.20 6.09 -1.72 -0.33 117.51 122.79 2kjb h ILE 29 Ca 0.03 -0.06 0.12 0.00 -1.37 0.00 0.00 64.86 63.58 2kjb h ILE 29 Cb 0.11 0.50 -0.13 0.00 0.47 0.00 0.00 36.82 37.77 2kjb h ILE 29 CO -0.00 0.03 -0.31 -0.09 -3.07 0.00 0.00 178.15 174.71 2kjb h ARG 30 N 0.18 -0.10 0.30 2.19 2.43 -1.72 -0.35 114.38 117.31 2kjb h ARG 30 Ca 0.24 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2kjb h ARG 30 Cb 0.33 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2kjb h ARG 30 CO -0.34 -0.06 -0.14 0.82 -1.51 0.00 0.00 179.97 178.73 2kjb h ILE 31 N -0.10 0.68 -1.59 1.20 2.04 -1.42 -3.00 117.51 115.33 2kjb h ILE 31 Ca 0.28 -0.66 0.46 0.00 1.00 0.00 0.00 64.86 65.94 2kjb h ILE 31 Cb 0.56 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2kjb h ILE 31 CO -0.75 0.12 1.19 -0.03 0.00 0.00 0.00 178.15 178.68 2kjb h MET 32 N -0.79 0.00 -0.01 2.37 4.05 -0.35 1.46 114.93 121.67 2kjb h MET 32 Ca -0.04 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.15 2kjb h MET 32 Cb 0.51 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2kjb h MET 32 CO 0.07 0.00 -0.95 0.93 0.23 0.00 0.00 176.91 177.19 2kjb h GLU 33 N 0.00 0.48 -0.70 0.39 5.08 -0.95 -3.14 114.58 115.75 2kjb h GLU 33 Ca 0.75 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2kjb h GLU 33 Cb 3.12 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 32.48 2kjb h GLU 33 CO -0.01 1.15 0.44 1.25 -1.00 0.00 0.00 179.01 180.85 2kjb h LEU 34 N 0.28 0.82 -0.30 1.33 5.85 0.21 -2.36 115.31 121.13 2kjb h LEU 34 Ca -0.09 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2kjb h LEU 34 Cb 1.59 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2kjb h LEU 34 CO 0.17 0.61 0.04 -0.07 -0.34 0.00 0.00 178.44 178.85 2kjb h LEU 35 N 0.96 0.50 -1.48 2.25 -0.00 -1.49 -2.34 115.31 113.70 2kjb h LEU 35 Ca 0.25 -0.27 0.20 0.00 -0.00 0.00 0.00 57.88 58.06 2kjb h LEU 35 Cb -0.07 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.43 2kjb h LEU 35 CO -0.05 0.64 0.83 0.28 -0.00 0.00 0.00 178.44 180.15 2kjb h SER 36 N 0.33 0.00 0.00 -0.43 0.02 -1.37 0.65 113.55 112.75 2kjb h SER 36 Ca 0.09 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 2kjb h SER 36 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2kjb h SER 36 CO 0.01 0.00 -0.60 0.58 -1.14 0.00 0.00 176.83 175.68 2kjb h VAL 37 N 0.00 1.26 0.00 2.27 2.07 -1.42 -3.51 116.25 116.92 2kjb h VAL 37 Ca 0.33 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2kjb h VAL 37 Cb 1.99 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 2kjb h VAL 37 CO -0.00 0.43 0.00 -1.20 0.02 0.00 0.00 177.57 176.81 2kjb n SER 38 N -4.53 0.58 -3.65 0.57 7.64 0.22 -5.16 113.62 109.28 2kjb n SER 38 Ca -0.20 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 2kjb n SER 38 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2kjb n SER 38 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kjb s GLU 39 N 4.19 1.14 0.30 1.43 1.03 -1.26 -4.40 118.70 121.12 2kjb s GLU 39 Ca 0.00 -0.74 -0.12 0.00 0.03 0.00 0.00 54.97 54.14 2kjb s GLU 39 Cb 0.00 0.48 0.05 0.00 -0.80 0.00 0.00 34.13 33.86 2kjb s GLU 39 CO 0.00 -0.45 0.63 0.00 -1.33 0.00 0.00 175.26 174.11 2kjb n ALA 40 N -0.25 -1.43 -1.65 -0.84 0.00 -1.26 -5.12 120.51 109.96 2kjb n ALA 40 Ca -0.15 -0.99 -0.29 0.00 0.00 0.00 0.00 53.44 52.01 2kjb n ALA 40 Cb 0.64 0.78 0.17 0.00 0.00 0.00 0.00 19.45 21.03 2kjb n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kjb s SER 41 N -2.64 2.99 0.07 0.00 1.04 -1.26 -4.70 113.70 109.20 2kjb s SER 41 Ca 0.13 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.01 2kjb s SER 41 Cb -0.04 -0.90 -0.16 0.00 0.10 0.00 0.00 66.02 65.02 2kjb s SER 41 CO 0.09 -2.84 1.28 0.58 0.98 0.00 0.00 173.24 173.33 2kjb h VAL 42 N -1.71 1.32 0.00 5.02 2.07 -2.02 -3.24 116.25 117.70 2kjb h VAL 42 Ca -0.46 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 2kjb h VAL 42 Cb 1.29 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2kjb h VAL 42 CO 0.48 0.57 -0.02 1.23 0.02 0.00 0.00 177.57 179.85 2kjb h GLY 43 N 0.32 0.01 -0.70 2.17 0.00 -1.98 -3.29 103.07 99.61 2kjb h GLY 43 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.41 2kjb h GLY 43 CO 0.12 0.02 -0.35 0.45 0.00 0.00 0.00 176.54 176.79 2kjb h HIS 44 N -0.80 -0.95 -0.76 5.60 -0.00 -1.96 0.90 115.15 117.18 2kjb h HIS 44 Ca -0.00 0.09 0.16 0.00 -0.00 0.00 0.00 60.37 60.61 2kjb h HIS 44 Cb 0.83 0.53 -0.05 0.00 -0.00 0.00 0.00 27.41 28.72 2kjb h HIS 44 CO 0.21 -0.39 0.51 0.82 -0.00 0.00 0.00 177.93 179.08 2kjb h ILE 45 N -0.08 0.77 0.00 2.45 2.04 -1.68 0.16 117.51 121.18 2kjb h ILE 45 Ca 0.30 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2kjb h ILE 45 Cb 0.58 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2kjb h ILE 45 CO -0.83 0.07 0.00 -1.20 0.00 0.00 0.00 178.15 176.19 2kjb n SER 46 N -4.47 0.00 -0.08 1.72 7.64 0.31 -3.84 113.62 114.89 2kjb n SER 46 Ca 0.15 0.66 -0.07 0.00 1.01 0.00 0.00 58.87 60.62 2kjb n SER 46 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2kjb n SER 46 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kjb h HIS 47 N 0.00 0.16 -0.17 1.43 -0.00 -1.29 -0.28 115.15 114.99 2kjb h HIS 47 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 2kjb h HIS 47 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2kjb h HIS 47 CO 0.09 0.06 -0.10 0.94 -0.00 0.00 0.00 177.93 178.93 2kjb n GLN 48 N -5.05 -0.07 -1.19 5.26 7.27 0.55 -0.75 117.38 123.39 2kjb n GLN 48 Ca -0.00 0.95 -0.29 0.00 0.07 0.00 0.00 57.00 57.73 2kjb n GLN 48 Cb 0.12 -1.41 0.08 0.00 2.41 0.00 0.00 30.24 31.44 2kjb n GLN 48 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 2kjb n LEU 49 N -3.29 7.21 -2.96 1.69 -0.00 -1.23 -4.96 117.00 113.46 2kjb n LEU 49 Ca 0.00 -3.92 -0.02 0.00 -0.00 0.00 0.00 56.01 52.08 2kjb n LEU 49 Cb 0.04 -0.96 -0.01 0.00 -0.00 0.00 0.00 43.42 42.49 2kjb n LEU 49 CO -0.03 1.34 -0.25 -0.46 -0.00 0.00 0.00 177.39 177.99 2kjb n ASN 50 N -0.66 -5.69 -3.53 1.45 0.23 0.07 -5.05 115.26 102.08 2kjb n ASN 50 Ca 0.54 1.02 -0.13 0.00 -0.53 0.00 0.00 54.58 55.48 2kjb n ASN 50 Cb 0.79 -2.66 -0.05 0.00 -2.08 0.00 0.00 39.78 35.79 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kjb s LEU 51 N -0.34 -0.50 -0.37 -4.53 2.96 -0.13 -4.98 118.68 110.78 2kjb s LEU 51 Ca -0.08 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 2kjb s LEU 51 Cb 0.01 2.22 0.02 0.00 0.50 0.00 0.00 46.19 48.94 2kjb s LEU 51 CO 0.24 -0.54 1.08 -0.94 -1.32 0.00 0.00 176.35 174.86 2kjb s SER 52 N -1.48 6.82 0.00 3.68 1.04 -1.26 -4.11 113.70 118.38 2kjb s SER 52 Ca -0.04 0.83 0.10 0.00 0.48 0.00 0.00 55.95 57.31 2kjb s SER 52 Cb -0.00 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.12 2kjb s SER 52 CO 0.02 -0.99 1.10 0.00 0.98 0.00 0.00 173.24 174.35 2kjb n GLN 53 N 7.16 0.23 -0.05 4.02 10.64 -1.26 -2.60 117.38 135.53 2kjb n GLN 53 Ca 0.12 0.08 -0.13 0.00 -1.83 0.00 0.00 57.00 55.24 2kjb n GLN 53 Cb 0.48 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.28 2kjb n GLN 53 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2kjb h SER 54 N 0.00 0.36 0.57 2.61 0.87 -2.00 -3.26 113.55 112.70 2kjb h SER 54 Ca 0.00 -0.52 -0.27 0.00 -1.23 0.00 0.00 61.79 59.77 2kjb h SER 54 Cb 0.04 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2kjb h SER 54 CO 0.00 0.81 -1.21 -1.13 -0.53 0.00 0.00 176.83 174.78 2kjb h ASN 55 N -0.08 0.46 0.00 6.23 -1.24 -1.93 -3.33 115.58 115.69 2kjb h ASN 55 Ca 0.01 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2kjb h ASN 55 Cb 0.73 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.63 2kjb h ASN 55 CO 0.04 1.35 0.00 0.52 -1.29 0.00 0.00 177.43 178.05 2kjb n VAL 56 N -3.58 0.00 -0.32 2.57 0.31 -1.20 0.26 118.33 116.38 2kjb n VAL 56 Ca -0.09 1.19 0.16 0.00 -0.01 0.00 0.00 64.34 65.59 2kjb n VAL 56 Cb 1.00 -1.83 0.32 0.00 -0.91 0.00 0.00 33.84 32.42 2kjb n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2kjb h SER 57 N 0.00 -0.17 1.00 4.52 4.64 -1.74 1.39 113.55 123.19 2kjb h SER 57 Ca 0.00 0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 2kjb h SER 57 Cb 0.00 0.36 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2kjb h SER 57 CO 0.00 -0.27 -0.31 0.45 -0.87 0.00 0.00 176.83 175.82 2kjb h HIS 58 N 0.10 0.00 0.07 4.77 -0.00 -1.48 -2.84 115.15 115.77 2kjb h HIS 58 Ca 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.97 2kjb h HIS 58 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 2kjb h HIS 58 CO -0.33 0.31 -0.03 0.37 -0.00 0.00 0.00 177.93 178.25 2kjb h GLN 59 N 0.00 -0.09 -0.15 2.45 4.15 1.41 -3.24 115.11 119.65 2kjb h GLN 59 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2kjb h GLN 59 Cb 0.90 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 2kjb h GLN 59 CO 0.04 0.47 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.32 2kjb h LEU 60 N -0.74 0.19 0.10 -2.39 3.38 -1.19 -2.96 115.31 111.70 2kjb h LEU 60 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kjb h LEU 60 Cb 0.60 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2kjb h LEU 60 CO 0.02 0.25 -0.47 0.50 0.09 0.00 0.00 178.44 178.83 2kjb h LYS 61 N 0.21 -0.66 -0.34 1.13 3.64 -1.52 0.62 116.57 119.64 2kjb h LYS 61 Ca 0.05 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2kjb h LYS 61 Cb 0.19 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 2kjb h LYS 61 CO 0.01 -0.44 -0.41 1.25 -2.27 0.00 0.00 179.45 177.59 2kjb h LEU 62 N -0.69 -1.34 -0.46 5.20 5.85 -1.55 -1.19 115.31 121.14 2kjb h LEU 62 Ca 0.02 0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2kjb h LEU 62 Cb 0.71 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 2kjb h LEU 62 CO -0.28 -0.37 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.36 2kjb h LEU 63 N -0.35 -0.24 -0.70 2.25 4.07 -1.47 -1.84 115.31 117.02 2kjb h LEU 63 Ca 0.13 0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.34 2kjb h LEU 63 Cb 0.58 0.21 -0.13 0.00 1.08 0.00 0.00 40.66 42.40 2kjb h LEU 63 CO -0.53 -0.08 -0.18 0.50 -1.08 0.00 0.00 178.44 177.08 2kjb h LYS 64 N 0.09 -0.00 -0.17 1.13 3.64 0.36 0.43 116.57 122.04 2kjb h LYS 64 Ca 0.23 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2kjb h LYS 64 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2kjb h LYS 64 CO -0.40 -0.00 -0.19 0.77 -2.27 0.00 0.00 179.45 177.36 2kjb h SER 65 N -0.00 0.29 0.61 4.20 0.02 -0.99 -1.71 113.55 115.96 2kjb h SER 65 Ca 0.34 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kjb h SER 65 Cb 0.51 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2kjb h SER 65 CO -0.72 0.50 0.00 0.52 -1.14 0.00 0.00 176.83 175.98 2kjb n VAL 66 N -4.20 0.25 -1.26 2.27 0.31 0.13 -4.87 118.33 110.97 2kjb n VAL 66 Ca -0.01 0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2kjb n VAL 66 Cb 0.33 -0.65 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 2kjb n VAL 66 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kjb n HIS 67 N -1.37 0.00 0.86 3.52 -0.00 -0.08 -4.85 115.22 113.31 2kjb n HIS 67 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.93 2kjb n HIS 67 Cb 0.23 -1.96 0.53 0.00 -0.00 0.00 0.00 29.99 28.79 2kjb n HIS 67 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2kjb n LEU 68 N -1.00 0.00 -3.71 2.41 0.00 -1.05 -4.79 117.00 108.86 2kjb n LEU 68 Ca -0.09 0.49 -0.14 0.00 0.00 0.00 0.00 56.01 56.27 2kjb n LEU 68 Cb 0.38 -0.49 -0.09 0.00 0.00 0.00 0.00 43.42 43.22 2kjb n LEU 68 CO 0.13 -0.07 0.12 0.68 0.00 0.00 0.00 177.39 178.25 2kjb s VAL 69 N -2.98 0.03 -0.18 1.96 -7.23 -1.26 -5.02 120.40 105.71 2kjb s VAL 69 Ca 0.12 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 2kjb s VAL 69 Cb 0.16 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 2kjb s VAL 69 CO 0.45 -0.14 0.27 -0.54 -0.31 0.00 0.00 175.10 174.83 2kjb s LYS 70 N -0.86 4.21 -0.59 4.82 -0.14 -1.20 -4.63 119.74 121.35 2kjb s LYS 70 Ca -0.09 0.02 -0.22 0.00 -1.36 0.00 0.00 55.97 54.32 2kjb s LYS 70 Cb -0.04 -3.46 0.06 0.00 -1.68 0.00 0.00 37.83 32.71 2kjb s LYS 70 CO 0.04 0.17 0.89 0.00 -0.76 0.00 0.00 175.35 175.69 2kjb s ALA 71 N 0.69 3.19 -0.27 5.17 0.00 -1.26 -2.82 121.76 126.45 2kjb s ALA 71 Ca 0.15 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.30 2kjb s ALA 71 Cb -0.13 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2kjb s ALA 71 CO 0.04 -2.48 0.52 0.21 0.00 0.00 0.00 175.76 174.04 2kjb s LYS 72 N 3.71 4.01 -0.04 0.00 2.20 -0.79 -4.99 119.74 123.84 2kjb s LYS 72 Ca 0.23 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2kjb s LYS 72 Cb -0.16 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.52 2kjb s LYS 72 CO 0.14 -0.39 0.06 -0.98 -0.36 0.00 0.00 175.35 173.81 2kjb s ARG 73 N 2.33 -0.05 -0.22 4.03 1.70 -1.26 -1.66 118.95 123.82 2kjb s ARG 73 Ca 0.21 0.33 -0.20 0.00 -0.47 0.00 0.00 55.73 55.60 2kjb s ARG 73 Cb -0.16 -0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 33.82 2kjb s ARG 73 CO 0.10 -0.26 0.61 -1.14 -1.08 0.00 0.00 175.30 173.52 2kjb s GLN 74 N 1.75 4.16 0.90 3.89 0.74 -1.22 -4.85 119.66 125.04 2kjb s GLN 74 Ca -0.01 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.94 2kjb s GLN 74 Cb -0.12 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.38 2kjb s GLN 74 CO -0.03 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 174.81 2kjb n GLY 75 N 4.00 0.47 2.80 2.59 0.00 -1.26 -2.54 105.19 111.25 2kjb n GLY 75 Ca -0.02 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 2kjb n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kjb s GLN 76 N 0.00 1.70 -0.30 1.61 -0.21 -1.26 -5.04 119.66 116.15 2kjb s GLN 76 Ca 0.00 -2.45 -0.16 0.00 0.02 0.00 0.00 55.36 52.77 2kjb s GLN 76 Cb 0.00 -2.80 0.18 0.00 1.00 0.00 0.00 33.01 31.39 2kjb s GLN 76 CO 0.00 -1.18 1.11 0.45 -2.12 0.00 0.00 175.29 173.55 2kjb s SER 77 N -0.19 -0.34 -0.23 5.90 0.15 -1.05 -5.14 113.70 112.80 2kjb s SER 77 Ca 0.20 0.49 -0.23 0.00 0.70 0.00 0.00 55.95 57.11 2kjb s SER 77 Cb -0.20 1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 65.38 2kjb s SER 77 CO -0.04 -0.07 0.73 -0.04 1.20 0.00 0.00 173.24 175.02 2kjb s MET 78 N 1.81 4.18 -0.29 5.44 -1.94 -1.26 -3.37 119.30 123.87 2kjb s MET 78 Ca -0.04 0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 54.70 2kjb s MET 78 Cb -0.03 -3.63 0.13 0.00 2.01 0.00 0.00 34.83 33.31 2kjb s MET 78 CO -0.15 -0.41 0.28 0.42 -0.01 0.00 0.00 175.02 175.14 2kjb s ILE 79 N 2.48 -0.37 0.33 2.53 1.01 -0.66 -4.53 121.20 121.99 2kjb s ILE 79 Ca 0.31 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 2kjb s ILE 79 Cb -0.16 -0.98 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 2kjb s ILE 79 CO 0.09 -0.49 0.87 -0.31 0.00 0.00 0.00 174.94 175.10 2kjb s TYR 80 N 2.33 3.55 -0.13 3.97 2.02 -1.26 -1.89 117.35 125.95 2kjb s TYR 80 Ca 0.09 1.58 -0.30 0.00 -0.37 0.00 0.00 57.07 58.07 2kjb s TYR 80 Cb -0.14 -2.79 0.11 0.00 -0.40 0.00 0.00 41.96 38.74 2kjb s TYR 80 CO -0.33 0.15 0.89 -1.54 -1.57 0.00 0.00 175.55 173.14 2kjb s SER 81 N -1.85 -0.48 -0.24 2.29 1.04 -1.13 -4.82 113.70 108.51 2kjb s SER 81 Ca 0.52 0.54 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 2kjb s SER 81 Cb -0.15 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2kjb s SER 81 CO 0.20 -0.43 0.73 -0.76 0.98 0.00 0.00 173.24 173.95 2kjb s LEU 82 N -1.08 4.08 0.12 2.42 1.43 -1.26 -3.22 118.68 121.17 2kjb s LEU 82 Ca -0.05 0.87 0.26 0.00 -1.03 0.00 0.00 54.13 54.18 2kjb s LEU 82 Cb -0.00 -3.02 0.67 0.00 0.03 0.00 0.00 46.19 43.87 2kjb s LEU 82 CO 0.04 -0.43 1.59 -0.67 0.23 0.00 0.00 176.35 177.11 2kjb n ASP 83 N 5.81 0.62 -4.79 2.29 2.03 -1.26 -4.86 116.55 116.39 2kjb n ASP 83 Ca 0.02 0.31 -0.36 0.00 0.52 0.00 0.00 54.79 55.28 2kjb n ASP 83 Cb 0.48 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.55 2kjb n ASP 83 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kjb s ASP 84 N -4.02 6.83 0.00 1.67 1.47 -1.26 -4.95 116.67 116.41 2kjb s ASP 84 Ca 0.10 1.98 0.10 0.00 1.18 0.00 0.00 52.55 55.91 2kjb s ASP 84 Cb 0.14 -2.58 0.09 0.00 -0.34 0.00 0.00 42.92 40.24 2kjb s ASP 84 CO 0.64 -0.44 0.85 2.30 0.68 0.00 0.00 175.17 179.20 2kjb n ILE 85 N -0.07 0.07 -0.06 2.11 -6.64 -1.26 -4.59 119.36 108.92 2kjb n ILE 85 Ca 0.05 -0.53 -0.04 0.00 -1.77 0.00 0.00 62.75 60.46 2kjb n ILE 85 Cb 0.50 1.16 -0.01 0.00 -1.44 0.00 0.00 39.64 39.85 2kjb n ILE 85 CO 0.00 0.00 0.00 -0.74 -1.77 0.00 0.00 176.55 174.04 2kjb h HIS 86 N 1.99 0.00 -0.76 4.28 2.76 -2.00 -3.35 115.15 118.07 2kjb h HIS 86 Ca 0.00 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.34 2kjb h HIS 86 Cb 0.44 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 29.27 2kjb h HIS 86 CO 0.01 0.00 -0.07 0.28 -1.30 0.00 0.00 177.93 176.86 2kjb h VAL 87 N -0.84 0.29 -0.43 5.26 2.07 -1.97 0.50 116.25 121.12 2kjb h VAL 87 Ca 0.00 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2kjb h VAL 87 Cb 0.40 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 2kjb h VAL 87 CO 0.00 0.01 -0.25 0.00 0.02 0.00 0.00 177.57 177.36 2kjb h ALA 88 N 1.74 0.03 -0.07 1.67 0.00 -1.81 -1.07 119.26 119.74 2kjb h ALA 88 Ca 0.40 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.39 2kjb h ALA 88 Cb 0.68 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kjb h ALA 88 CO -0.72 -0.61 -0.22 1.79 0.00 0.00 0.00 179.25 179.50 2kjb h THR 89 N -0.16 1.43 -0.96 0.00 1.35 -1.19 -3.07 112.91 110.31 2kjb h THR 89 Ca 0.20 -1.60 0.28 0.00 -0.55 0.00 0.00 66.41 64.74 2kjb h THR 89 Cb 0.48 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 69.16 2kjb h THR 89 CO -0.53 0.45 0.86 -0.03 -0.25 0.00 0.00 175.52 176.02 2kjb h MET 90 N -0.24 0.00 0.19 4.72 -1.53 0.39 0.15 114.93 118.61 2kjb h MET 90 Ca -0.01 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 2kjb h MET 90 Cb 0.84 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.89 2kjb h MET 90 CO 0.05 0.00 -0.09 1.25 0.14 0.00 0.00 176.91 178.25 2kjb h LEU 91 N 0.00 -0.22 -0.37 3.39 5.85 -1.11 -2.90 115.31 119.95 2kjb h LEU 91 Ca 0.45 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2kjb h LEU 91 Cb 2.16 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 43.21 2kjb h LEU 91 CO -0.00 0.31 0.13 0.11 -0.34 0.00 0.00 178.44 178.64 2kjb h LYS 92 N -0.90 0.27 -1.05 1.25 6.56 -0.89 -1.09 116.57 120.72 2kjb h LYS 92 Ca -0.03 -0.02 0.28 0.00 -1.06 0.00 0.00 60.65 59.82 2kjb h LYS 92 Cb 0.50 -0.06 -0.11 0.00 -0.57 0.00 0.00 32.23 32.00 2kjb h LYS 92 CO 0.04 0.18 0.66 0.37 -2.06 0.00 0.00 179.45 178.65 2kjb h GLN 93 N 0.28 0.40 0.06 3.15 5.75 -0.91 2.22 115.11 126.06 2kjb h GLN 93 Ca 0.17 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2kjb h GLN 93 Cb 0.14 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.60 2kjb h GLN 93 CO -0.17 0.26 -0.03 0.00 -2.65 0.00 0.00 178.83 176.24 2kjb h ALA 94 N 1.66 -0.08 0.00 3.38 0.00 -1.00 -3.02 119.26 120.19 2kjb h ALA 94 Ca 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2kjb h ALA 94 Cb 1.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2kjb h ALA 94 CO -0.36 -0.27 0.00 -0.89 0.00 0.00 0.00 179.25 177.72 2kjb n ILE 95 N -4.88 0.25 -0.04 0.00 5.41 -0.15 -3.14 119.36 116.81 2kjb n ILE 95 Ca -0.09 0.06 -0.14 0.00 1.00 0.00 0.00 62.75 63.58 2kjb n ILE 95 Cb 0.27 -0.66 -0.08 0.00 -0.71 0.00 0.00 39.64 38.46 2kjb n ILE 95 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2kjb h HIS 96 N 0.00 0.52 -0.10 1.39 2.76 0.37 -2.89 115.15 117.20 2kjb h HIS 96 Ca 0.00 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.00 2kjb h HIS 96 Cb 0.28 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 2kjb h HIS 96 CO 0.00 0.91 0.18 1.25 -1.30 0.00 0.00 177.93 178.97 2kjb h HIS 97 N -0.02 0.00 0.08 5.26 -0.00 -1.52 0.86 115.15 119.81 2kjb h HIS 97 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 2kjb h HIS 97 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2kjb h HIS 97 CO 0.11 0.00 -1.12 0.00 -0.00 0.00 0.00 177.93 176.92 2kjb h ALA 98 N 1.74 0.22 -3.19 5.26 0.00 -1.66 -3.46 119.26 118.17 2kjb h ALA 98 Ca 0.05 -0.85 -0.26 0.00 0.00 0.00 0.00 54.91 53.84 2kjb h ALA 98 Cb 0.41 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.30 2kjb h ALA 98 CO -0.00 1.00 0.02 0.09 0.00 0.00 0.00 179.25 180.36 2kjb n ASN 99 N -3.54 -2.24 -2.75 0.00 5.03 0.29 -5.05 115.26 107.01 2kjb n ASN 99 Ca -0.06 -0.85 -0.08 0.00 0.87 0.00 0.00 54.58 54.45 2kjb n ASN 99 Cb 0.96 -0.68 0.06 0.00 -1.02 0.00 0.00 39.78 39.10 2kjb n ASN 99 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2kjb n HIS 100 N -4.34 -3.26 -1.51 3.10 8.25 -1.26 -5.03 115.22 111.17 2kjb n HIS 100 Ca 0.10 -1.83 -0.31 0.00 -0.26 0.00 0.00 57.72 55.42 2kjb n HIS 100 Cb 0.40 1.58 -0.17 0.00 1.12 0.00 0.00 29.99 32.93 2kjb n HIS 100 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kjb n PRO 101 N 1.38 0.12 0.20 -0.41 -0.02 -1.26 -4.73 135.00 130.29 2kjb n PRO 101 Ca 0.08 -0.07 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 2kjb n PRO 101 Cb 0.64 -1.62 0.31 0.00 -0.02 0.00 0.00 33.50 32.81 2kjb n PRO 101 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2kjb h LYS 102 N 12.25 0.00 0.00 -0.52 3.64 -2.06 -3.57 116.57 126.31 2kjb h LYS 102 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kjb h LYS 102 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2kjb h LYS 102 CO 1.44 0.24 0.00 -0.85 -2.27 0.00 0.00 179.45 178.01