#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjz s THR 2 N 0.00 -0.01 -0.02 3.17 2.01 -1.26 -5.16 115.64 114.37 2kjz s THR 2 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2kjz s THR 2 Cb 0.00 -0.06 0.01 0.00 0.01 0.00 0.00 72.50 72.46 2kjz s THR 2 CO 0.00 0.02 -0.02 -1.00 -0.69 0.00 0.00 174.62 172.93 2kjz s HIS 3 N 0.22 0.35 -0.82 4.92 0.09 -1.26 -5.12 115.29 113.67 2kjz s HIS 3 Ca -0.02 -0.05 -0.17 0.00 -0.00 0.00 0.00 55.06 54.83 2kjz s HIS 3 Cb -0.03 -0.32 0.15 0.00 -0.00 0.00 0.00 32.58 32.38 2kjz s HIS 3 CO -0.01 -0.07 0.92 -1.25 -0.00 0.00 0.00 174.74 174.33 2kjz s PRO 4 N 0.45 3.48 0.00 8.40 0.04 -1.26 -4.79 135.00 141.32 2kjz s PRO 4 Ca -0.05 -1.89 0.19 0.00 0.04 0.00 0.00 61.00 59.30 2kjz s PRO 4 Cb -0.08 -4.61 0.53 0.00 0.04 0.00 0.00 34.50 30.39 2kjz s PRO 4 CO -0.01 -1.57 1.45 -0.40 0.04 0.00 0.00 177.00 176.51 2kjz n ASP 5 N 5.67 3.63 -4.00 6.66 5.75 -1.26 -4.97 116.55 128.03 2kjz n ASP 5 Ca 0.13 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.72 2kjz n ASP 5 Cb 0.47 -0.40 -0.15 0.00 -1.03 0.00 0.00 41.12 40.01 2kjz n ASP 5 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kjz s PHE 6 N -1.04 0.90 0.01 2.11 5.36 -1.26 -2.54 117.98 121.53 2kjz s PHE 6 Ca 0.41 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.20 2kjz s PHE 6 Cb 0.22 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 2kjz s PHE 6 CO 0.28 -0.09 -0.12 -0.08 -1.46 0.00 0.00 175.22 173.76 2kjz s THR 7 N 0.16 0.91 -0.06 0.12 -1.32 -0.77 -5.00 115.64 109.68 2kjz s THR 7 Ca -0.02 -0.68 0.06 0.00 -1.21 0.00 0.00 61.69 59.83 2kjz s THR 7 Cb -0.08 -0.80 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 2kjz s THR 7 CO 0.00 0.11 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.66 2kjz s ILE 8 N -0.53 1.97 0.01 5.08 1.01 -1.26 -1.23 121.20 126.25 2kjz s ILE 8 Ca 0.02 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 2kjz s ILE 8 Cb -0.06 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2kjz s ILE 8 CO 0.00 0.55 0.88 -0.76 0.00 0.00 0.00 174.94 175.62 2kjz s LEU 9 N -0.09 4.40 -0.57 2.97 1.43 -0.40 -4.91 118.68 121.51 2kjz s LEU 9 Ca -0.05 1.55 -0.25 0.00 -1.03 0.00 0.00 54.13 54.36 2kjz s LEU 9 Cb -0.14 -3.42 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2kjz s LEU 9 CO 0.04 -0.15 0.99 -0.47 0.23 0.00 0.00 176.35 176.99 2kjz s TYR 10 N 0.61 2.73 0.50 0.29 6.14 -1.26 -1.36 117.35 125.00 2kjz s TYR 10 Ca 0.46 -0.00 0.04 0.00 0.64 0.00 0.00 57.07 58.20 2kjz s TYR 10 Cb -0.21 -4.18 -0.01 0.00 0.42 0.00 0.00 41.96 37.98 2kjz s TYR 10 CO 0.25 -1.44 0.14 0.14 0.64 0.00 0.00 175.55 175.28 2kjz s VAL 11 N 4.18 1.51 0.01 3.14 -7.23 -0.44 -4.97 120.40 116.61 2kjz s VAL 11 Ca 0.32 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2kjz s VAL 11 Cb -0.12 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 2kjz s VAL 11 CO 0.19 0.00 -0.09 -0.67 -0.31 0.00 0.00 175.10 174.22 2kjz n ASP 12 N -1.38 1.16 -4.49 4.85 2.03 -1.26 -0.01 116.55 117.44 2kjz n ASP 12 Ca -0.11 0.17 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 2kjz n ASP 12 Cb 0.66 -0.39 -0.05 0.00 -0.72 0.00 0.00 41.12 40.62 2kjz n ASP 12 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kjz s ASN 13 N -5.91 6.30 0.09 1.67 3.84 -1.26 -4.39 114.94 115.29 2kjz s ASN 13 Ca -0.08 -0.56 -0.30 0.00 0.21 0.00 0.00 52.86 52.13 2kjz s ASN 13 Cb 0.02 -2.38 -0.13 0.00 -0.55 0.00 0.00 41.25 38.20 2kjz s ASN 13 CO 0.11 -1.11 1.62 -0.65 -2.79 0.00 0.00 177.10 174.29 2kjz h PRO 14 N 9.20 -0.65 0.25 0.43 0.11 -1.92 -2.72 132.00 136.70 2kjz h PRO 14 Ca -0.27 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 2kjz h PRO 14 Cb 1.08 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2kjz h PRO 14 CO 1.04 -0.44 -0.21 -1.35 -0.21 0.00 0.00 178.00 176.83 2kjz h PRO 15 N -0.68 -0.44 -0.99 1.05 0.11 -1.94 -2.85 132.00 126.26 2kjz h PRO 15 Ca -0.02 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2kjz h PRO 15 Cb 0.61 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.76 2kjz h PRO 15 CO -0.04 -0.29 0.65 0.00 -0.21 0.00 0.00 178.00 178.10 2kjz h ALA 16 N -1.45 1.36 0.46 -0.75 0.00 -2.00 0.22 119.26 117.10 2kjz h ALA 16 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kjz h ALA 16 Cb 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kjz h ALA 16 CO -0.01 0.54 -0.22 0.66 0.00 0.00 0.00 179.25 180.22 2kjz h SER 17 N 1.24 -0.53 -0.49 0.00 4.64 -1.60 -2.97 113.55 113.85 2kjz h SER 17 Ca 0.39 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 2kjz h SER 17 Cb 0.01 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2kjz h SER 17 CO -0.12 -0.25 -0.13 0.74 -0.87 0.00 0.00 176.83 176.19 2kjz h THR 18 N -0.79 1.27 -0.76 2.95 2.02 -1.03 -2.24 112.91 114.33 2kjz h THR 18 Ca -0.06 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 2kjz h THR 18 Cb 0.55 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2kjz h THR 18 CO 0.10 0.45 0.37 1.56 0.37 0.00 0.00 175.52 178.37 2kjz h GLN 19 N 0.86 1.10 -0.67 6.66 1.08 -1.12 0.25 115.11 123.28 2kjz h GLN 19 Ca 0.13 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2kjz h GLN 19 Cb 0.69 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2kjz h GLN 19 CO 0.05 0.86 0.09 0.35 -0.95 0.00 0.00 178.83 179.23 2kjz h PHE 20 N 1.08 1.20 -0.04 2.96 3.57 -1.27 -2.49 116.94 121.93 2kjz h PHE 20 Ca 0.26 -0.17 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2kjz h PHE 20 Cb 0.12 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2kjz h PHE 20 CO 0.01 1.01 -0.56 1.88 -2.23 0.00 0.00 178.31 178.41 2kjz h TYR 21 N 1.04 0.16 -0.48 0.41 0.05 -1.04 -1.64 116.97 115.48 2kjz h TYR 21 Ca 0.20 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.98 2kjz h TYR 21 Cb 0.47 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.13 2kjz h TYR 21 CO 0.03 0.66 0.21 0.87 -1.05 0.00 0.00 178.16 178.88 2kjz h LYS 22 N 0.10 0.40 0.07 4.88 1.57 -0.50 -0.92 116.57 122.17 2kjz h LYS 22 Ca -0.00 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.48 2kjz h LYS 22 Cb 1.02 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 33.26 2kjz h LYS 22 CO 0.08 0.27 -1.13 0.00 -0.57 0.00 0.00 179.45 178.09 2kjz h ALA 23 N 1.29 0.14 -0.08 3.86 0.00 -1.54 -0.58 119.26 122.36 2kjz h ALA 23 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2kjz h ALA 23 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kjz h ALA 23 CO -0.19 0.78 -0.10 1.25 0.00 0.00 0.00 179.25 180.99 2kjz h LEU 24 N 0.24 0.10 0.00 0.00 5.85 -0.91 -3.04 115.31 117.54 2kjz h LEU 24 Ca -0.14 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 2kjz h LEU 24 Cb 1.80 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 2kjz h LEU 24 CO 0.21 0.22 -2.10 0.18 -0.34 0.00 0.00 178.44 176.61 2kjz n LEU 25 N -4.36 2.28 -0.08 2.25 4.77 -0.38 -5.03 117.00 116.44 2kjz n LEU 25 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2kjz n LEU 25 Cb 0.21 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2kjz n LEU 25 CO 0.36 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2kjz n GLY 26 N 2.45 1.07 3.31 -0.72 0.00 -0.32 -5.10 105.19 105.88 2kjz n GLY 26 Ca -0.32 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 2kjz n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjz s VAL 27 N -2.17 1.55 0.08 1.61 -7.23 -0.64 -5.01 120.40 108.59 2kjz s VAL 27 Ca 0.00 -2.12 0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2kjz s VAL 27 Cb 0.00 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2kjz s VAL 27 CO 0.00 -0.61 -0.09 1.51 -0.31 0.00 0.00 175.10 175.60 2kjz s ASP 28 N -3.18 4.48 -0.37 4.85 -4.77 -1.26 -4.35 116.67 112.08 2kjz s ASP 28 Ca 0.19 -0.32 -0.28 0.00 -3.30 0.00 0.00 52.55 48.84 2kjz s ASP 28 Cb -0.00 -0.91 -0.02 0.00 -1.09 0.00 0.00 42.92 40.89 2kjz s ASP 28 CO 0.05 0.20 1.87 -2.84 0.70 0.00 0.00 175.17 175.15 2kjz s PRO 29 N -2.05 3.16 0.35 2.11 0.02 -1.26 -4.70 135.00 132.63 2kjz s PRO 29 Ca 0.21 1.37 0.05 0.00 0.02 0.00 0.00 61.00 62.64 2kjz s PRO 29 Cb -0.11 -4.26 0.63 0.00 0.02 0.00 0.00 34.50 30.79 2kjz s PRO 29 CO 0.13 -2.07 1.90 -0.24 -0.33 0.00 0.00 177.00 176.39 2kjz h VAL 30 N 6.89 1.19 -3.34 3.83 3.04 -1.40 -3.19 116.25 123.26 2kjz h VAL 30 Ca -0.33 -0.70 -0.67 0.00 -1.01 0.00 0.00 66.70 63.99 2kjz h VAL 30 Cb 1.18 0.88 -0.38 0.00 -2.01 0.00 0.00 31.29 30.95 2kjz h VAL 30 CO 1.06 0.25 -0.41 -1.61 -1.01 0.00 0.00 177.57 175.84 2kjz s GLU 31 N -5.05 2.58 -0.08 4.17 0.41 -0.49 -5.05 118.70 115.19 2kjz s GLU 31 Ca -0.08 -2.94 -0.23 0.00 -0.41 0.00 0.00 54.97 51.31 2kjz s GLU 31 Cb 0.16 -3.62 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 2kjz s GLU 31 CO 0.76 -1.21 0.70 -1.54 -0.49 0.00 0.00 175.26 173.48 2kjz s SER 32 N -0.28 6.97 0.04 -0.19 1.04 -1.21 -1.65 113.70 118.42 2kjz s SER 32 Ca 0.21 1.17 0.01 0.00 0.48 0.00 0.00 55.95 57.82 2kjz s SER 32 Cb -0.15 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 2kjz s SER 32 CO -0.08 -0.13 -0.06 -0.55 0.98 0.00 0.00 173.24 173.40 2kjz s SER 33 N 0.82 0.65 0.28 7.02 0.15 -0.74 -5.04 113.70 116.84 2kjz s SER 33 Ca 0.37 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.46 2kjz s SER 33 Cb -0.18 0.07 0.64 0.00 -1.71 0.00 0.00 66.02 64.84 2kjz s SER 33 CO 0.17 -0.26 1.72 1.55 1.20 0.00 0.00 173.24 177.62 2kjz h PRO 34 N 4.44 0.47 0.00 5.44 0.13 -2.03 -3.06 132.00 137.39 2kjz h PRO 34 Ca -0.34 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2kjz h PRO 34 Cb 1.20 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2kjz h PRO 34 CO 0.43 0.31 -0.41 -2.37 -0.23 0.00 0.00 178.00 175.73 2kjz n THR 35 N -4.98 1.30 -3.65 1.56 5.66 -1.26 -4.82 114.28 108.09 2kjz n THR 35 Ca 0.20 -1.90 -0.14 0.00 -3.05 0.00 0.00 64.05 59.15 2kjz n THR 35 Cb 0.56 0.11 -0.07 0.00 -1.55 0.00 0.00 70.33 69.37 2kjz n THR 35 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2kjz s PHE 36 N -1.95 -0.33 0.01 1.09 5.36 -1.16 -3.69 117.98 117.31 2kjz s PHE 36 Ca 0.28 0.44 0.02 0.00 -0.96 0.00 0.00 56.93 56.71 2kjz s PHE 36 Cb 0.27 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 43.17 2kjz s PHE 36 CO -0.04 -0.53 -0.08 0.45 -1.46 0.00 0.00 175.22 173.56 2kjz s SER 37 N -1.64 0.88 -0.05 6.13 0.15 -0.68 -1.79 113.70 116.69 2kjz s SER 37 Ca -0.09 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 2kjz s SER 37 Cb -0.02 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 2kjz s SER 37 CO 0.02 0.02 0.09 -0.22 1.20 0.00 0.00 173.24 174.34 2kjz s LEU 38 N -0.55 0.28 0.05 3.45 1.98 -0.66 -0.64 118.68 122.58 2kjz s LEU 38 Ca -0.00 0.15 0.05 0.00 -2.89 0.00 0.00 54.13 51.44 2kjz s LEU 38 Cb -0.05 0.01 -0.02 0.00 0.66 0.00 0.00 46.19 46.79 2kjz s LEU 38 CO 0.00 -0.22 -0.15 0.72 -1.89 0.00 0.00 176.35 174.81 2kjz s PHE 39 N 1.95 1.27 -0.06 5.38 -0.12 -0.70 -0.93 117.98 124.77 2kjz s PHE 39 Ca 0.01 -0.38 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 2kjz s PHE 39 Cb -0.12 -0.75 -0.01 0.00 -0.63 0.00 0.00 43.02 41.51 2kjz s PHE 39 CO -0.04 0.05 -0.23 0.08 -0.05 0.00 0.00 175.22 175.03 2kjz s VAL 40 N -0.94 2.25 0.29 -2.49 1.01 -1.26 -1.67 120.40 117.59 2kjz s VAL 40 Ca 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2kjz s VAL 40 Cb -0.08 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2kjz s VAL 40 CO 0.02 0.57 0.47 -0.76 0.00 0.00 0.00 175.10 175.39 2kjz s LEU 41 N -0.16 4.13 0.57 3.92 1.43 -0.80 -5.00 118.68 122.78 2kjz s LEU 41 Ca -0.03 0.35 0.35 0.00 -1.03 0.00 0.00 54.13 53.77 2kjz s LEU 41 Cb -0.14 -3.18 1.66 0.00 0.03 0.00 0.00 46.19 44.57 2kjz s LEU 41 CO 0.04 -0.19 2.10 0.00 0.23 0.00 0.00 176.35 178.53 2kjz h ALA 42 N 1.13 1.04 0.00 4.21 0.00 -2.01 -1.56 119.26 122.08 2kjz h ALA 42 Ca -0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2kjz h ALA 42 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kjz h ALA 42 CO 0.63 0.04 -0.03 -0.91 0.00 0.00 0.00 179.25 178.97 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 4.21 -2.06 -3.47 115.58 114.26 2kjz h ASN 43 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kjz h ASN 43 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2kjz h ASN 43 CO 0.00 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 2kjz n GLY 44 N -0.27 1.57 3.79 2.83 0.00 -0.59 -5.09 105.19 107.44 2kjz n GLY 44 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2kjz n GLY 44 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kjz s MET 45 N -0.67 3.15 -0.03 1.61 0.23 -1.26 -4.87 119.30 117.46 2kjz s MET 45 Ca 0.00 1.25 0.07 0.00 -1.03 0.00 0.00 55.69 55.99 2kjz s MET 45 Cb 0.00 -2.01 -0.02 0.00 -1.53 0.00 0.00 34.83 31.27 2kjz s MET 45 CO 0.00 -0.95 -0.24 0.21 -2.03 0.00 0.00 175.02 172.00 2kjz s LYS 46 N -4.11 2.19 -0.11 3.16 2.20 -1.05 -1.90 119.74 120.11 2kjz s LYS 46 Ca 0.64 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 2kjz s LYS 46 Cb -0.17 -2.09 0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2kjz s LYS 46 CO 0.39 0.56 0.04 -1.17 -0.36 0.00 0.00 175.35 174.81 2kjz s LEU 47 N -0.60 0.54 0.43 5.43 0.20 -0.67 -1.84 118.68 122.17 2kjz s LEU 47 Ca 0.09 -0.32 0.08 0.00 0.69 0.00 0.00 54.13 54.67 2kjz s LEU 47 Cb -0.10 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.32 2kjz s LEU 47 CO -0.01 -0.27 0.55 -0.83 -0.29 0.00 0.00 176.35 175.50 2kjz s GLY 48 N 2.04 1.97 -0.20 7.98 0.00 -0.37 -1.72 107.32 117.02 2kjz s GLY 48 Ca 0.03 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 2kjz s GLY 48 CO -0.06 -1.55 0.09 1.08 0.00 0.00 0.00 173.10 172.67 2kjz s LEU 49 N -4.33 0.47 -0.22 0.66 1.02 0.18 -1.27 118.68 115.19 2kjz s LEU 49 Ca 0.54 -0.79 -0.07 0.00 0.02 0.00 0.00 54.13 53.83 2kjz s LEU 49 Cb -0.08 -0.30 -0.03 0.00 0.02 0.00 0.00 46.19 45.79 2kjz s LEU 49 CO 0.32 -0.37 0.07 0.86 0.02 0.00 0.00 176.35 177.25 2kjz s TRP 50 N 2.10 3.14 0.25 0.29 -0.11 -0.46 -1.69 118.94 122.45 2kjz s TRP 50 Ca 0.03 -0.21 -0.30 0.00 1.22 0.00 0.00 56.10 56.85 2kjz s TRP 50 Cb -0.16 -2.17 -0.09 0.00 -1.50 0.00 0.00 33.47 29.54 2kjz s TRP 50 CO -0.15 -0.15 1.04 -1.12 -4.62 0.00 0.00 176.95 171.94 2kjz s SER 51 N 1.12 7.42 0.25 5.86 0.01 -1.24 -1.32 113.70 125.79 2kjz s SER 51 Ca 0.04 2.11 0.25 0.00 1.31 0.00 0.00 55.95 59.66 2kjz s SER 51 Cb -0.14 -2.62 0.94 0.00 0.21 0.00 0.00 66.02 64.41 2kjz s SER 51 CO 0.03 -0.04 1.74 -2.11 0.41 0.00 0.00 173.24 173.27 2kjz n ARG 52 N 1.51 0.22 0.00 12.44 1.85 0.98 -2.12 116.66 131.54 2kjz n ARG 52 Ca -0.01 0.36 0.14 0.00 -1.00 0.00 0.00 57.85 57.34 2kjz n ARG 52 Cb 0.46 -1.86 0.51 0.00 -1.05 0.00 0.00 32.46 30.52 2kjz n ARG 52 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kjz n HIS 53 N -2.27 0.00 -0.47 2.89 1.44 -1.26 -3.82 115.22 111.73 2kjz n HIS 53 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2kjz n HIS 53 Cb 0.29 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.17 2kjz n HIS 53 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 2kjz n THR 54 N -1.09 0.45 -2.52 0.61 5.66 -0.90 -5.10 114.28 111.39 2kjz n THR 54 Ca 0.11 -0.49 -0.35 0.00 -3.05 0.00 0.00 64.05 60.27 2kjz n THR 54 Cb 0.31 0.84 -0.03 0.00 -1.55 0.00 0.00 70.33 69.90 2kjz n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kjz s VAL 55 N -0.45 3.72 -0.16 1.08 0.11 -0.92 -4.97 120.40 118.81 2kjz s VAL 55 Ca 0.00 1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 60.19 2kjz s VAL 55 Cb 0.00 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 2kjz s VAL 55 CO 0.00 -0.16 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.93 2kjz s GLU 56 N -3.03 1.58 0.35 1.54 2.02 -1.26 -2.66 118.70 117.24 2kjz s GLU 56 Ca 0.65 -0.53 -0.26 0.00 0.02 0.00 0.00 54.97 54.85 2kjz s GLU 56 Cb -0.19 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.93 2kjz s GLU 56 CO 0.23 -0.40 1.01 -1.25 0.02 0.00 0.00 175.26 174.87 2kjz s PRO 57 N 1.60 4.41 -0.25 0.39 0.04 -1.26 -5.09 135.00 134.85 2kjz s PRO 57 Ca 0.01 1.47 -0.34 0.00 0.04 0.00 0.00 61.00 62.18 2kjz s PRO 57 Cb -0.15 -2.74 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 2kjz s PRO 57 CO -0.08 0.09 2.06 1.63 0.04 0.00 0.00 177.00 180.74 2kjz n LYS 58 N 0.38 1.54 -4.50 4.56 4.76 -1.09 -4.97 118.16 118.84 2kjz n LYS 58 Ca 0.03 0.49 -0.23 0.00 -2.87 0.00 0.00 58.31 55.73 2kjz n LYS 58 Cb 0.49 -2.59 -0.16 0.00 -1.84 0.00 0.00 35.03 30.93 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kjz s ALA 59 N 6.09 1.09 -0.87 7.82 0.00 -1.26 -5.10 121.76 129.53 2kjz s ALA 59 Ca 1.02 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 2kjz s ALA 59 Cb -0.76 -0.46 0.21 0.00 0.00 0.00 0.00 23.12 22.11 2kjz s ALA 59 CO 0.50 0.13 0.86 -1.12 0.00 0.00 0.00 175.76 176.13 2kjz s SER 60 N 0.46 6.78 -0.24 0.00 0.01 -1.26 -4.90 113.70 114.56 2kjz s SER 60 Ca -0.09 -2.65 -0.10 0.00 1.31 0.00 0.00 55.95 54.42 2kjz s SER 60 Cb -0.13 -2.24 0.09 0.00 0.21 0.00 0.00 66.02 63.95 2kjz s SER 60 CO 0.02 -0.64 0.54 0.54 0.41 0.00 0.00 173.24 174.11 2kjz s VAL 61 N 0.52 -0.43 0.36 3.43 0.11 -1.26 -5.17 120.40 117.95 2kjz s VAL 61 Ca 0.22 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.27 2kjz s VAL 61 Cb -0.09 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2kjz s VAL 61 CO -0.09 0.03 0.58 0.42 -3.33 0.00 0.00 175.10 172.71 2kjz s THR 62 N 2.16 0.00 0.00 5.04 -4.23 -1.26 -4.96 115.64 112.39 2kjz s THR 62 Ca -0.07 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2kjz s THR 62 Cb -0.09 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2kjz s THR 62 CO -0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2kjz n GLY 63 N -0.56 2.84 0.97 3.99 0.00 -0.79 -4.93 105.19 106.71 2kjz n GLY 63 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 2kjz n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 64 N 0.00 1.48 0.43 -0.02 0.00 -1.25 -4.48 105.19 101.35 2kjz n GLY 64 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2kjz n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 65 N -0.16 -2.92 0.68 -0.02 0.00 -1.26 -4.91 105.19 96.60 2kjz n GLY 65 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2kjz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kjz n GLY 66 N 0.44 -3.92 3.10 -0.02 0.00 -1.26 -4.73 105.19 98.80 2kjz n GLY 66 Ca 0.00 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 2kjz n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kjz s GLU 67 N -2.98 0.81 -0.41 1.61 -1.05 -1.26 -3.46 118.70 111.97 2kjz s GLU 67 Ca 0.00 -0.65 -0.07 0.00 -0.15 0.00 0.00 54.97 54.10 2kjz s GLU 67 Cb 0.00 -0.78 0.08 0.00 -0.44 0.00 0.00 34.13 33.00 2kjz s GLU 67 CO 0.00 0.19 0.23 -1.17 0.95 0.00 0.00 175.26 175.46 2kjz s LEU 68 N -0.98 5.05 -0.31 1.83 2.96 -0.72 -4.95 118.68 121.56 2kjz s LEU 68 Ca 0.00 -1.57 -0.22 0.00 -0.22 0.00 0.00 54.13 52.12 2kjz s LEU 68 Cb -0.07 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 2kjz s LEU 68 CO 0.01 -0.51 0.73 0.00 -1.32 0.00 0.00 176.35 175.25 2kjz s ALA 69 N 1.36 3.53 -0.38 5.97 0.00 -1.26 -1.32 121.76 129.66 2kjz s ALA 69 Ca 0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 2kjz s ALA 69 Cb -0.23 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2kjz s ALA 69 CO 0.01 -1.16 0.37 -0.06 0.00 0.00 0.00 175.76 174.91 2kjz s PHE 70 N 2.83 3.20 -0.03 0.00 0.40 0.13 -4.99 117.98 119.53 2kjz s PHE 70 Ca 0.30 -0.25 -0.19 0.00 -0.60 0.00 0.00 56.93 56.19 2kjz s PHE 70 Cb -0.14 -2.71 -0.05 0.00 0.51 0.00 0.00 43.02 40.62 2kjz s PHE 70 CO 0.12 -0.54 0.52 1.03 0.70 0.00 0.00 175.22 177.05 2kjz s ARG 71 N 1.98 4.23 0.27 0.44 0.52 -1.26 -2.35 118.95 122.78 2kjz s ARG 71 Ca 0.10 0.59 0.02 0.00 -0.52 0.00 0.00 55.73 55.92 2kjz s ARG 71 Cb -0.17 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2kjz s ARG 71 CO 0.12 0.40 0.16 0.14 0.02 0.00 0.00 175.30 176.15 2kjz s VAL 72 N -0.23 0.17 -0.00 3.52 -7.23 -1.21 -5.01 120.40 110.41 2kjz s VAL 72 Ca 0.28 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 2kjz s VAL 72 Cb -0.17 -2.52 -0.22 0.00 0.56 0.00 0.00 36.38 34.03 2kjz s VAL 72 CO 0.15 0.00 1.12 1.05 -0.31 0.00 0.00 175.10 177.11 2kjz h GLU 73 N 2.36 0.35 -3.21 4.82 4.11 -1.98 -3.42 114.58 117.61 2kjz h GLU 73 Ca -0.33 -0.33 -0.03 0.00 0.07 0.00 0.00 59.36 58.74 2kjz h GLU 73 Cb 1.25 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2kjz h GLU 73 CO 0.50 1.00 0.16 0.54 0.07 0.00 0.00 179.01 181.28 2kjz s ASN 74 N -6.54 0.03 0.46 3.06 2.20 -1.26 -4.75 114.94 108.14 2kjz s ASN 74 Ca -0.14 -1.01 0.14 0.00 -0.94 0.00 0.00 52.86 50.91 2kjz s ASN 74 Cb 0.03 0.76 1.09 0.00 -2.00 0.00 0.00 41.25 41.14 2kjz s ASN 74 CO 0.79 -1.48 2.05 -2.24 -2.94 0.00 0.00 177.10 173.27 2kjz h ASP 75 N 2.04 0.26 -0.33 3.54 2.03 -1.93 -1.74 116.42 120.29 2kjz h ASP 75 Ca -0.27 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.98 2kjz h ASP 75 Cb 1.25 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 2kjz h ASP 75 CO 0.35 0.17 0.03 0.00 -1.03 0.00 0.00 179.24 178.76 2kjz h ALA 76 N 1.79 0.44 0.00 4.15 0.00 -1.99 -2.66 119.26 120.98 2kjz h ALA 76 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kjz h ALA 76 Cb 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kjz h ALA 76 CO -0.04 0.16 -0.12 1.96 0.00 0.00 0.00 179.25 181.22 2kjz h GLN 77 N 0.38 0.00 -0.25 0.00 1.08 -1.74 -0.83 115.11 113.75 2kjz h GLN 77 Ca 0.10 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.11 2kjz h GLN 77 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2kjz h GLN 77 CO 0.01 0.12 -0.60 0.28 -0.95 0.00 0.00 178.83 177.70 2kjz h VAL 78 N 0.00 1.28 -0.06 -0.54 2.07 -1.43 -2.53 116.25 115.05 2kjz h VAL 78 Ca -0.00 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.60 2kjz h VAL 78 Cb 0.31 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2kjz h VAL 78 CO 0.02 0.58 -0.56 -0.78 0.02 0.00 0.00 177.57 176.85 2kjz h ASP 79 N 0.62 0.21 -0.56 0.57 3.58 -0.99 -0.84 116.42 119.01 2kjz h ASP 79 Ca 0.00 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 2kjz h ASP 79 Cb 1.20 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2kjz h ASP 79 CO 0.13 0.73 0.03 -0.33 -2.88 0.00 0.00 179.24 176.92 2kjz h GLU 80 N 0.15 0.96 0.00 0.28 5.08 -1.16 -2.68 114.58 117.21 2kjz h GLU 80 Ca -0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2kjz h GLU 80 Cb 1.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2kjz h GLU 80 CO 0.08 0.95 -0.51 1.15 -1.00 0.00 0.00 179.01 179.68 2kjz h THR 81 N 0.84 1.28 0.87 1.13 2.02 -1.20 -1.17 112.91 116.68 2kjz h THR 81 Ca 0.16 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 2kjz h THR 81 Cb 0.49 2.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2kjz h THR 81 CO 0.02 0.50 -0.44 0.15 0.37 0.00 0.00 175.52 176.13 2kjz h PHE 82 N 0.00 -1.14 -0.37 3.16 3.04 -0.93 -1.97 116.94 118.73 2kjz h PHE 82 Ca -0.01 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 2kjz h PHE 82 Cb 0.96 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 2kjz h PHE 82 CO 0.00 -0.70 -0.17 0.00 -2.02 0.00 0.00 178.31 175.42 2kjz h ALA 83 N -1.40 1.01 0.02 2.41 0.00 -1.47 -1.95 119.26 117.87 2kjz h ALA 83 Ca -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kjz h ALA 83 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kjz h ALA 83 CO 0.18 0.59 -0.01 0.78 0.00 0.00 0.00 179.25 180.79 2kjz h GLY 84 N 0.98 -0.03 0.99 0.00 0.00 -1.26 -1.95 103.07 101.80 2kjz h GLY 84 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2kjz h GLY 84 CO 0.04 -0.01 0.24 1.49 0.00 0.00 0.00 176.54 178.30 2kjz h TRP 85 N -0.11 0.87 -0.46 5.60 4.06 -1.26 -0.77 115.95 123.89 2kjz h TRP 85 Ca -0.00 -0.06 0.06 0.00 2.06 0.00 0.00 58.89 60.95 2kjz h TRP 85 Cb 0.10 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 27.94 2kjz h TRP 85 CO -0.05 0.70 0.15 -0.22 -3.56 0.00 0.00 178.44 175.46 2kjz h LYS 86 N 0.79 0.31 0.00 0.49 3.64 -1.29 -1.02 116.57 119.48 2kjz h LYS 86 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2kjz h LYS 86 Cb 0.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2kjz h LYS 86 CO -0.02 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 2kjz h ALA 87 N 1.31 1.00 -0.01 5.00 0.00 -1.19 -3.00 119.26 122.37 2kjz h ALA 87 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2kjz h ALA 87 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kjz h ALA 87 CO -0.24 0.00 -0.15 0.45 0.00 0.00 0.00 179.25 179.31 2kjz n SER 88 N -2.34 1.52 -0.15 0.00 2.88 -0.31 -4.96 113.62 110.26 2kjz n SER 88 Ca 0.04 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 2kjz n SER 88 Cb 0.38 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kjz n GLY 89 N 1.28 0.79 3.91 0.46 0.00 -0.56 -5.03 105.19 106.05 2kjz n GLY 89 Ca 0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2kjz n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjz s VAL 90 N -1.90 5.29 0.24 1.61 0.11 -0.78 -4.58 120.40 120.39 2kjz s VAL 90 Ca 0.00 -0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2kjz s VAL 90 Cb 0.00 -3.65 0.06 0.00 -1.53 0.00 0.00 36.38 31.26 2kjz s VAL 90 CO 0.00 0.06 1.68 0.00 -3.33 0.00 0.00 175.10 173.51 2kjz h ALA 91 N 2.82 0.99 -4.58 1.54 0.00 -1.32 -3.44 119.26 115.27 2kjz h ALA 91 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2kjz h ALA 91 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kjz h ALA 91 CO 0.74 0.60 -0.47 -0.12 0.00 0.00 0.00 179.25 180.00 2kjz n MET 92 N -4.13 -1.95 -3.60 0.00 0.00 -1.25 -4.96 117.12 101.23 2kjz n MET 92 Ca 0.00 1.81 -0.29 0.00 0.00 0.00 0.00 57.70 59.23 2kjz n MET 92 Cb 0.40 -4.36 -0.12 0.00 0.00 0.00 0.00 33.22 29.14 2kjz n MET 92 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kjz s LEU 93 N -1.83 2.28 0.00 -0.89 -0.00 -1.26 -4.99 118.68 111.99 2kjz s LEU 93 Ca 0.12 -2.83 0.00 0.00 -0.00 0.00 0.00 54.13 51.43 2kjz s LEU 93 Cb -0.03 -0.82 0.00 0.00 -0.00 0.00 0.00 46.19 45.33 2kjz s LEU 93 CO 0.55 -0.22 0.00 1.67 -0.00 0.00 0.00 176.35 178.35 2kjz n GLN 94 N 3.24 0.00 -2.59 1.48 -0.06 -1.26 -4.82 117.38 113.36 2kjz n GLN 94 Ca 0.17 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.74 2kjz n GLN 94 Cb 0.39 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.55 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2kjz s GLN 95 N 0.00 3.71 -0.13 3.69 -0.21 -1.26 -4.82 119.66 120.65 2kjz s GLN 95 Ca 0.00 0.57 -0.35 0.00 0.02 0.00 0.00 55.36 55.60 2kjz s GLN 95 Cb 0.00 -3.91 -0.12 0.00 1.00 0.00 0.00 33.01 29.98 2kjz s GLN 95 CO 0.00 -1.40 1.89 -2.30 -2.12 0.00 0.00 175.29 171.36 2kjz n PRO 96 N 7.87 2.01 -4.45 2.91 -0.02 -1.26 -4.95 135.00 137.11 2kjz n PRO 96 Ca 0.12 0.73 -0.23 0.00 -2.02 0.00 0.00 63.50 62.10 2kjz n PRO 96 Cb 0.49 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 2kjz n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjz s ALA 97 N 4.27 1.51 -0.61 3.55 0.00 -0.79 -4.91 121.76 124.77 2kjz s ALA 97 Ca 0.94 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 2kjz s ALA 97 Cb -0.74 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2kjz s ALA 97 CO 0.53 0.31 1.60 0.15 0.00 0.00 0.00 175.76 178.35 2kjz s LYS 98 N -1.31 2.98 0.54 0.00 -0.14 -1.26 -1.51 119.74 119.05 2kjz s LYS 98 Ca 0.04 0.41 0.07 0.00 -1.36 0.00 0.00 55.97 55.13 2kjz s LYS 98 Cb -0.09 -4.26 0.06 0.00 -1.68 0.00 0.00 37.83 31.87 2kjz s LYS 98 CO 0.02 -2.33 0.74 1.41 -0.76 0.00 0.00 175.35 174.43 2kjz s MET 99 N 6.23 2.43 0.30 1.68 -2.45 -0.20 -4.96 119.30 122.33 2kjz s MET 99 Ca 0.56 -1.36 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 2kjz s MET 99 Cb -0.12 -2.63 0.66 0.00 1.25 0.00 0.00 34.83 33.99 2kjz s MET 99 CO 0.21 -0.72 1.81 0.93 1.05 0.00 0.00 175.02 178.30 2kjz h GLU 100 N 0.24 0.84 -0.31 4.11 5.08 -2.02 -1.09 114.58 121.43 2kjz h GLU 100 Ca -0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kjz h GLU 100 Cb 1.28 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kjz h GLU 100 CO 0.43 0.56 0.00 1.19 -1.00 0.00 0.00 179.01 180.19 2kjz n PHE 101 N -4.68 0.40 0.00 4.33 3.72 -1.26 -4.88 117.46 115.09 2kjz n PHE 101 Ca 0.21 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2kjz n PHE 101 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kjz n GLY 102 N 1.19 -0.21 3.56 1.37 0.00 -0.41 -3.85 105.19 106.84 2kjz n GLY 102 Ca 0.16 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 2kjz n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kjz s TYR 103 N 0.00 2.14 0.07 1.61 5.04 -0.02 -1.03 117.35 125.15 2kjz s TYR 103 Ca 0.00 0.36 0.06 0.00 -2.44 0.00 0.00 57.07 55.05 2kjz s TYR 103 Cb 0.00 -4.41 -0.04 0.00 0.35 0.00 0.00 41.96 37.87 2kjz s TYR 103 CO 0.00 -2.09 -0.11 -0.08 -1.34 0.00 0.00 175.55 171.93 2kjz s THR 104 N 6.63 3.32 -0.05 4.34 -1.32 -0.57 -0.96 115.64 127.03 2kjz s THR 104 Ca 0.50 -1.13 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 2kjz s THR 104 Cb -0.10 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2kjz s THR 104 CO 0.20 0.23 0.12 0.12 -2.21 0.00 0.00 174.62 173.09 2kjz s PHE 105 N -1.10 -0.13 -0.08 9.09 5.36 0.09 -1.89 117.98 129.32 2kjz s PHE 105 Ca 0.19 0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.48 2kjz s PHE 105 Cb -0.11 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 2kjz s PHE 105 CO 0.10 -0.08 -0.01 0.99 -1.46 0.00 0.00 175.22 174.77 2kjz s THR 106 N 0.20 0.44 0.27 0.12 2.01 -1.26 -0.80 115.64 116.63 2kjz s THR 106 Ca -0.01 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2kjz s THR 106 Cb -0.02 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 2kjz s THR 106 CO -0.01 0.27 0.20 0.00 -0.69 0.00 0.00 174.62 174.39 2kjz s ALA 107 N 1.95 3.60 -0.24 7.40 0.00 -0.39 -4.13 121.76 129.95 2kjz s ALA 107 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2kjz s ALA 107 Cb -0.12 -1.23 0.04 0.00 0.00 0.00 0.00 23.12 21.81 2kjz s ALA 107 CO -0.06 0.20 -0.11 0.00 0.00 0.00 0.00 175.76 175.80 2kjz s ALA 108 N -2.19 2.57 1.16 0.00 0.00 -1.26 -1.94 121.76 120.11 2kjz s ALA 108 Ca 0.34 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 2kjz s ALA 108 Cb -0.07 -1.54 0.27 0.00 0.00 0.00 0.00 23.12 21.78 2kjz s ALA 108 CO 0.25 -0.83 1.12 0.16 0.00 0.00 0.00 175.76 176.46 2kjz s ASP 109 N 1.25 1.26 0.34 0.00 -4.77 -1.26 -0.96 116.67 112.52 2kjz s ASP 109 Ca -0.02 0.69 0.13 0.00 -3.30 0.00 0.00 52.55 50.05 2kjz s ASP 109 Cb -0.17 -0.98 1.06 0.00 -1.09 0.00 0.00 42.92 41.74 2kjz s ASP 109 CO -0.07 -3.92 1.62 1.55 0.70 0.00 0.00 175.17 175.05 2kjz h PRO 110 N -2.44 0.16 0.00 2.11 0.13 -1.92 0.38 132.00 130.42 2kjz h PRO 110 Ca -0.46 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2kjz h PRO 110 Cb 1.30 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2kjz h PRO 110 CO 0.38 0.10 -0.56 0.22 -0.23 0.00 0.00 178.00 177.91 2kjz h ASP 111 N 0.16 0.00 -3.73 1.44 1.82 -1.92 -3.49 116.42 110.70 2kjz h ASP 111 Ca 0.72 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 2kjz h ASP 111 Cb 1.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.70 2kjz h ASP 111 CO -0.71 0.56 -0.26 -0.24 -1.61 0.00 0.00 179.24 176.98 2kjz n SER 112 N -3.29 -4.00 -3.14 2.28 2.88 0.12 -4.27 113.62 104.20 2kjz n SER 112 Ca 0.01 0.36 -0.12 0.00 -1.33 0.00 0.00 58.87 57.79 2kjz n SER 112 Cb 0.74 -2.45 -0.01 0.00 -0.75 0.00 0.00 64.21 61.73 2kjz n SER 112 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kjz n HIS 113 N -0.04 -0.49 -3.51 0.66 -0.00 -1.26 -1.89 115.22 108.68 2kjz n HIS 113 Ca 0.02 -0.99 -0.41 0.00 -0.00 0.00 0.00 57.72 56.33 2kjz n HIS 113 Cb 0.06 -0.17 -0.10 0.00 -0.00 0.00 0.00 29.99 29.78 2kjz n HIS 113 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2kjz s ARG 114 N -2.86 3.21 -0.36 -0.41 1.81 -1.22 -4.25 118.95 114.88 2kjz s ARG 114 Ca 0.08 -0.84 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 2kjz s ARG 114 Cb -0.01 -3.86 0.09 0.00 -0.45 0.00 0.00 34.95 30.72 2kjz s ARG 114 CO 0.05 -0.59 0.10 -0.51 -0.68 0.00 0.00 175.30 173.67 2kjz s LEU 115 N 1.69 4.67 0.05 2.53 1.43 -0.82 -1.76 118.68 126.47 2kjz s LEU 115 Ca 0.05 -1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 51.20 2kjz s LEU 115 Cb -0.18 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.22 2kjz s LEU 115 CO 0.10 -0.41 0.51 -0.60 0.23 0.00 0.00 176.35 176.18 2kjz s ARG 116 N 1.14 4.10 -0.08 1.70 3.52 -0.43 -1.26 118.95 127.63 2kjz s ARG 116 Ca 0.04 0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 56.24 2kjz s ARG 116 Cb -0.21 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 2kjz s ARG 116 CO -0.04 0.65 -0.01 0.08 -0.81 0.00 0.00 175.30 175.17 2kjz s VAL 117 N -1.11 0.51 0.25 7.11 1.01 0.02 -0.69 120.40 127.50 2kjz s VAL 117 Ca 0.27 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2kjz s VAL 117 Cb -0.18 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2kjz s VAL 117 CO 0.17 0.28 -0.04 -0.72 0.00 0.00 0.00 175.10 174.79 2kjz s TYR 118 N 1.92 1.74 -0.18 5.22 1.13 -0.99 -0.73 117.35 125.45 2kjz s TYR 118 Ca 0.05 -0.80 -0.03 0.00 -1.41 0.00 0.00 57.07 54.88 2kjz s TYR 118 Cb -0.12 -0.99 0.06 0.00 -1.10 0.00 0.00 41.96 39.80 2kjz s TYR 118 CO -0.06 0.12 0.04 0.00 -2.51 0.00 0.00 175.55 173.15 2kjz s ALA 119 N -3.21 0.86 -0.37 9.51 0.00 -0.14 -3.31 121.76 125.09 2kjz s ALA 119 Ca 0.28 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2kjz s ALA 119 Cb 0.05 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2kjz s ALA 119 CO 0.10 -1.09 1.09 0.12 0.00 0.00 0.00 175.76 175.97 2kjz s PHE 120 N 1.92 3.04 -0.85 0.00 5.36 -1.25 -0.84 117.98 125.36 2kjz s PHE 120 Ca 0.00 1.02 -0.25 0.00 -0.96 0.00 0.00 56.93 56.74 2kjz s PHE 120 Cb -0.16 -3.92 -0.04 0.00 -0.34 0.00 0.00 43.02 38.55 2kjz s PHE 120 CO -0.08 -0.93 1.92 0.00 -1.46 0.00 0.00 175.22 174.67 2kjz s ALA 121 N 3.90 1.78 0.00 11.12 0.00 -1.26 -4.98 121.76 132.32 2kjz s ALA 121 Ca 0.46 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2kjz s ALA 121 Cb -0.11 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2kjz s ALA 121 CO 0.21 -4.61 0.00 0.41 0.00 0.00 0.00 175.76 171.76