#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 4.75 -0.33 3.17 2.01 -1.26 -5.05 115.64 118.94 2kjz s THR 2 Ca 0.00 1.57 -0.18 0.00 0.31 0.00 0.00 61.69 63.39 2kjz s THR 2 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2kjz s THR 2 CO 0.00 0.38 0.51 -1.00 -0.69 0.00 0.00 174.62 173.82 2kjz s HIS 3 N -0.10 3.20 -0.67 4.92 0.09 -1.26 -5.04 115.29 116.44 2kjz s HIS 3 Ca 0.37 0.30 -0.17 0.00 -0.00 0.00 0.00 55.06 55.56 2kjz s HIS 3 Cb -0.20 -2.87 0.14 0.00 -0.00 0.00 0.00 32.58 29.65 2kjz s HIS 3 CO 0.22 -0.47 0.69 -1.25 -0.00 0.00 0.00 174.74 173.93 2kjz s PRO 4 N 2.37 3.22 -0.06 8.40 0.04 -1.26 -4.86 135.00 142.86 2kjz s PRO 4 Ca 0.19 -1.78 0.14 0.00 0.04 0.00 0.00 61.00 59.58 2kjz s PRO 4 Cb -0.15 -4.38 0.49 0.00 0.04 0.00 0.00 34.50 30.50 2kjz s PRO 4 CO 0.12 -1.43 1.37 -0.40 0.04 0.00 0.00 177.00 176.71 2kjz n ASP 5 N 5.39 3.30 -3.94 6.66 5.75 -1.26 -4.85 116.55 127.60 2kjz n ASP 5 Ca -0.02 -2.23 -0.29 0.00 -0.01 0.00 0.00 54.79 52.24 2kjz n ASP 5 Cb 0.43 -0.45 -0.16 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.64 1.99 0.04 2.11 5.36 -1.26 -0.78 117.98 123.80 2kjz s PHE 6 Ca 0.36 -1.26 0.04 0.00 -0.96 0.00 0.00 56.93 55.10 2kjz s PHE 6 Cb 0.22 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.41 2kjz s PHE 6 CO 0.19 -0.66 -0.04 -0.08 -1.46 0.00 0.00 175.22 173.17 2kjz s THR 7 N 1.54 3.83 -0.03 0.12 -1.32 -0.47 -5.00 115.64 114.30 2kjz s THR 7 Ca 0.01 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.70 2kjz s THR 7 Cb -0.15 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 2kjz s THR 7 CO -0.08 0.28 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.76 2kjz s ILE 8 N -1.13 1.79 -0.21 5.08 1.01 -1.26 -0.71 121.20 125.78 2kjz s ILE 8 Ca 0.20 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 2kjz s ILE 8 Cb -0.11 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2kjz s ILE 8 CO 0.12 0.51 0.54 -0.76 0.00 0.00 0.00 174.94 175.34 2kjz s LEU 9 N -0.30 4.13 -0.55 2.97 2.01 -0.74 -4.92 118.68 121.28 2kjz s LEU 9 Ca 0.02 0.67 -0.28 0.00 0.01 0.00 0.00 54.13 54.55 2kjz s LEU 9 Cb -0.11 -2.73 0.03 0.00 0.01 0.00 0.00 46.19 43.39 2kjz s LEU 9 CO 0.01 -0.22 1.24 -0.47 1.01 0.00 0.00 176.35 177.93 2kjz s TYR 10 N 1.82 2.56 0.47 0.29 5.04 -1.26 -2.02 117.35 124.25 2kjz s TYR 10 Ca 0.24 0.49 0.03 0.00 -2.44 0.00 0.00 57.07 55.39 2kjz s TYR 10 Cb -0.15 -4.47 -0.03 0.00 0.35 0.00 0.00 41.96 37.65 2kjz s TYR 10 CO 0.10 -1.64 0.01 0.14 -1.34 0.00 0.00 175.55 172.82 2kjz s VAL 11 N 5.12 1.38 -0.09 3.14 -7.23 -0.57 -4.91 120.40 117.25 2kjz s VAL 11 Ca 0.47 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2kjz s VAL 11 Cb -0.08 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2kjz s VAL 11 CO 0.27 0.00 -0.22 -0.67 -0.31 0.00 0.00 175.10 174.17 2kjz n ASP 12 N -1.17 1.46 -4.55 4.85 2.03 -1.26 -0.65 116.55 117.26 2kjz n ASP 12 Ca -0.14 0.24 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 2kjz n ASP 12 Cb 0.67 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 40.43 2kjz n ASP 12 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kjz s ASN 13 N -5.69 6.45 0.04 1.67 0.01 -1.26 -4.45 114.94 111.70 2kjz s ASN 13 Ca -0.18 0.00 -0.21 0.00 -0.71 0.00 0.00 52.86 51.76 2kjz s ASN 13 Cb 0.02 -2.40 -0.11 0.00 0.41 0.00 0.00 41.25 39.17 2kjz s ASN 13 CO 0.27 -0.92 1.32 -0.65 -1.51 0.00 0.00 177.10 175.60 2kjz h PRO 14 N 8.94 -0.70 -0.66 -0.60 0.11 -1.88 -2.68 132.00 134.53 2kjz h PRO 14 Ca -0.25 0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.85 2kjz h PRO 14 Cb 1.08 0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2kjz h PRO 14 CO 0.97 -0.47 0.17 -1.35 -0.21 0.00 0.00 178.00 177.12 2kjz h PRO 15 N -0.73 1.02 -0.57 1.05 0.11 -1.92 -1.22 132.00 129.75 2kjz h PRO 15 Ca -0.07 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2kjz h PRO 15 Cb 0.57 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 2kjz h PRO 15 CO 0.09 0.90 0.07 0.00 -0.21 0.00 0.00 178.00 178.85 2kjz h ALA 16 N 1.21 0.76 -0.17 -0.75 0.00 -2.01 -1.88 119.26 116.41 2kjz h ALA 16 Ca 0.21 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2kjz h ALA 16 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kjz h ALA 16 CO -0.00 0.52 -0.52 0.66 0.00 0.00 0.00 179.25 179.91 2kjz h SER 17 N 0.85 0.53 0.22 0.00 4.64 -1.18 -2.85 113.55 115.76 2kjz h SER 17 Ca 0.17 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2kjz h SER 17 Cb 0.45 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2kjz h SER 17 CO 0.02 0.96 -0.17 0.74 -0.87 0.00 0.00 176.83 177.50 2kjz h THR 18 N 0.38 0.62 -0.33 2.95 2.02 -0.70 -0.16 112.91 117.70 2kjz h THR 18 Ca 0.01 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 2kjz h THR 18 Cb 1.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2kjz h THR 18 CO 0.09 0.00 -0.31 1.56 0.37 0.00 0.00 175.52 177.24 2kjz h GLN 19 N -0.41 0.70 -0.61 6.66 1.08 -1.47 -0.96 115.11 120.11 2kjz h GLN 19 Ca -0.01 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2kjz h GLN 19 Cb 0.36 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2kjz h GLN 19 CO -0.01 0.92 0.39 0.35 -0.95 0.00 0.00 178.83 179.53 2kjz h PHE 20 N 0.60 0.74 0.00 2.96 3.57 -1.36 -2.00 116.94 121.46 2kjz h PHE 20 Ca 0.07 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2kjz h PHE 20 Cb 0.82 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2kjz h PHE 20 CO 0.04 0.45 -0.55 1.88 -2.23 0.00 0.00 178.31 177.90 2kjz h TYR 21 N 0.79 0.00 -0.12 0.41 -1.99 -0.76 -2.21 116.97 113.10 2kjz h TYR 21 Ca 0.23 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.99 2kjz h TYR 21 Cb -0.05 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 2kjz h TYR 21 CO -0.04 0.55 -0.08 0.87 -0.00 0.00 0.00 178.16 179.46 2kjz h LYS 22 N 0.00 -0.08 0.06 4.88 1.57 -0.40 -0.91 116.57 121.69 2kjz h LYS 22 Ca -0.01 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 2kjz h LYS 22 Cb 1.07 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2kjz h LYS 22 CO 0.07 -0.06 -1.08 0.00 -0.57 0.00 0.00 179.45 177.81 2kjz h ALA 23 N 1.01 0.26 0.34 3.86 0.00 -1.60 -1.68 119.26 121.45 2kjz h ALA 23 Ca 0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2kjz h ALA 23 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kjz h ALA 23 CO -0.17 0.94 -0.16 1.25 0.00 0.00 0.00 179.25 181.10 2kjz h LEU 24 N 0.11 -0.39 0.03 0.00 5.85 -1.16 -3.21 115.31 116.56 2kjz h LEU 24 Ca -0.09 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2kjz h LEU 24 Cb 1.77 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.90 2kjz h LEU 24 CO 0.18 -0.22 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.97 2kjz h LEU 25 N -0.53 -0.04 0.00 2.25 3.38 -1.35 -3.49 115.31 115.54 2kjz h LEU 25 Ca -0.05 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2kjz h LEU 25 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kjz h LEU 25 CO 0.08 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2kjz n GLY 26 N 1.16 1.74 3.46 0.83 0.00 -0.71 -5.10 105.19 106.58 2kjz n GLY 26 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 0.60 0.21 1.61 -7.23 -0.76 -4.99 120.40 107.83 2kjz s VAL 27 Ca 0.00 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.27 2kjz s VAL 27 Cb 0.00 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2kjz s VAL 27 CO 0.00 0.00 -0.10 1.51 -0.31 0.00 0.00 175.10 176.20 2kjz s ASP 28 N -3.53 4.16 -0.33 4.85 -4.77 -1.26 -4.25 116.67 111.53 2kjz s ASP 28 Ca 0.29 -0.67 -0.29 0.00 -3.30 0.00 0.00 52.55 48.58 2kjz s ASP 28 Cb 0.04 -0.65 -0.00 0.00 -1.09 0.00 0.00 42.92 41.21 2kjz s ASP 28 CO 0.16 0.08 1.44 -2.16 0.70 0.00 0.00 175.17 175.39 2kjz s PRO 29 N -3.06 3.71 0.26 2.11 0.04 -1.26 -4.65 135.00 132.15 2kjz s PRO 29 Ca 0.26 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 2kjz s PRO 29 Cb -0.08 -3.99 0.34 0.00 0.04 0.00 0.00 34.50 30.81 2kjz s PRO 29 CO 0.16 -1.40 1.79 -0.24 0.04 0.00 0.00 177.00 177.35 2kjz h VAL 30 N 6.27 1.24 -3.53 -0.36 3.04 -1.42 -3.40 116.25 118.09 2kjz h VAL 30 Ca -0.29 -0.89 -0.67 0.00 -1.01 0.00 0.00 66.70 63.85 2kjz h VAL 30 Cb 1.12 0.70 -0.23 0.00 -2.01 0.00 0.00 31.29 30.87 2kjz h VAL 30 CO 1.05 0.33 -0.72 -1.61 -1.01 0.00 0.00 177.57 175.61 2kjz s GLU 31 N -5.17 3.13 -0.06 4.17 0.41 -0.99 -5.04 118.70 115.15 2kjz s GLU 31 Ca -0.10 -0.61 -0.03 0.00 -0.41 0.00 0.00 54.97 53.82 2kjz s GLU 31 Cb 0.15 -2.65 0.03 0.00 -1.78 0.00 0.00 34.13 29.89 2kjz s GLU 31 CO 0.81 0.42 0.14 -1.54 -0.49 0.00 0.00 175.26 174.59 2kjz s SER 32 N -0.16 -0.11 0.04 -0.19 1.04 -1.26 -1.27 113.70 111.80 2kjz s SER 32 Ca 0.01 0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 2kjz s SER 32 Cb -0.13 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2kjz s SER 32 CO 0.03 -0.12 0.08 -0.44 0.98 0.00 0.00 173.24 173.77 2kjz s SER 33 N 0.91 0.22 0.01 7.02 0.01 -0.18 -5.03 113.70 116.65 2kjz s SER 33 Ca -0.07 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.64 2kjz s SER 33 Cb -0.09 0.23 0.24 0.00 0.21 0.00 0.00 66.02 66.61 2kjz s SER 33 CO -0.04 -0.53 1.18 -0.81 0.41 0.00 0.00 173.24 173.44 2kjz n PRO 34 N 0.64 0.01 0.00 12.44 -0.04 -1.26 -2.44 135.00 144.35 2kjz n PRO 34 Ca -0.18 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2kjz n PRO 34 Cb 0.59 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2kjz n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kjz n THR 35 N -1.53 0.00 -3.64 0.52 5.66 -1.26 -4.65 114.28 109.39 2kjz n THR 35 Ca 0.01 -0.34 -0.15 0.00 -3.05 0.00 0.00 64.05 60.53 2kjz n THR 35 Cb 0.06 1.30 -0.08 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.05 -0.66 0.04 1.09 2.19 -1.02 -3.73 117.98 115.84 2kjz s PHE 36 Ca 0.00 1.52 0.04 0.00 0.33 0.00 0.00 56.93 58.82 2kjz s PHE 36 Cb 0.00 0.26 -0.02 0.00 -1.31 0.00 0.00 43.02 41.95 2kjz s PHE 36 CO 0.00 -0.39 -0.12 -1.12 1.83 0.00 0.00 175.22 175.42 2kjz s SER 37 N -0.04 1.46 -0.08 6.13 0.01 -1.04 -1.02 113.70 119.12 2kjz s SER 37 Ca -0.03 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 2kjz s SER 37 Cb -0.04 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.15 2kjz s SER 37 CO 0.03 -0.02 -0.02 -0.22 0.41 0.00 0.00 173.24 173.42 2kjz s LEU 38 N -1.21 0.79 -0.07 2.44 1.98 -0.39 -1.10 118.68 121.11 2kjz s LEU 38 Ca -0.01 -0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.08 2kjz s LEU 38 Cb -0.08 -0.56 -0.03 0.00 0.66 0.00 0.00 46.19 46.18 2kjz s LEU 38 CO 0.01 -0.17 -0.02 -0.36 -1.89 0.00 0.00 176.35 173.92 2kjz s PHE 39 N 1.86 3.08 -0.10 5.38 0.40 -0.02 -0.95 117.98 127.63 2kjz s PHE 39 Ca 0.05 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 2kjz s PHE 39 Cb -0.12 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.67 2kjz s PHE 39 CO -0.06 0.43 -0.17 0.08 0.70 0.00 0.00 175.22 176.20 2kjz s VAL 40 N -0.88 1.61 0.04 -0.44 1.01 -1.26 -1.05 120.40 119.43 2kjz s VAL 40 Ca 0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2kjz s VAL 40 Cb -0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2kjz s VAL 40 CO 0.03 0.46 0.21 -0.76 0.00 0.00 0.00 175.10 175.04 2kjz s LEU 41 N 0.81 4.36 0.00 3.92 1.02 -0.88 -4.99 118.68 122.92 2kjz s LEU 41 Ca -0.10 0.31 0.15 0.00 0.02 0.00 0.00 54.13 54.51 2kjz s LEU 41 Cb -0.16 -2.86 0.75 0.00 0.02 0.00 0.00 46.19 43.95 2kjz s LEU 41 CO 0.01 0.20 1.42 0.00 0.02 0.00 0.00 176.35 178.00 2kjz n ALA 42 N 0.50 1.84 0.27 4.21 0.00 -1.26 -2.70 120.51 123.36 2kjz n ALA 42 Ca -0.07 -0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.46 2kjz n ALA 42 Cb 0.52 -1.24 0.71 0.00 0.00 0.00 0.00 19.45 19.43 2kjz n ALA 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kjz h ASN 43 N 0.00 0.00 0.00 0.00 4.21 -2.05 -3.46 115.58 114.28 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 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2kjz h ASN 43 CO 0.00 0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 2kjz n GLY 44 N -0.20 1.16 3.61 2.83 0.00 -1.10 -5.12 105.19 106.37 2kjz n GLY 44 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.20 1.98 -0.07 1.61 0.23 -1.24 -4.97 119.30 116.63 2kjz s MET 45 Ca 0.00 -2.20 -0.07 0.00 -1.03 0.00 0.00 55.69 52.39 2kjz s MET 45 Cb 0.00 -1.19 0.02 0.00 -1.53 0.00 0.00 34.83 32.13 2kjz s MET 45 CO 0.00 -0.30 0.21 0.21 -2.03 0.00 0.00 175.02 173.11 2kjz s LYS 46 N -3.80 0.27 -0.05 3.16 2.20 0.04 -2.08 119.74 119.48 2kjz s LYS 46 Ca 0.22 0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 2kjz s LYS 46 Cb 0.05 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.52 2kjz s LYS 46 CO 0.11 -0.04 0.04 -1.17 -0.36 0.00 0.00 175.35 173.93 2kjz s LEU 47 N 0.02 0.36 0.36 5.43 0.20 -0.21 -1.37 118.68 123.47 2kjz s LEU 47 Ca -0.01 0.02 0.07 0.00 0.69 0.00 0.00 54.13 54.90 2kjz s LEU 47 Cb -0.02 -0.25 -0.02 0.00 -0.43 0.00 0.00 46.19 45.48 2kjz s LEU 47 CO 0.00 -0.22 0.39 -0.83 -0.29 0.00 0.00 176.35 175.40 2kjz s GLY 48 N 2.03 1.81 -0.25 7.98 0.00 0.12 -0.84 107.32 118.16 2kjz s GLY 48 Ca 0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.09 2kjz s GLY 48 CO -0.04 -1.53 0.07 1.08 0.00 0.00 0.00 173.10 172.69 2kjz s LEU 49 N -4.11 1.39 -0.24 0.66 1.43 -0.26 -1.78 118.68 115.77 2kjz s LEU 49 Ca 0.45 -1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 2kjz s LEU 49 Cb -0.07 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 2kjz s LEU 49 CO 0.29 -0.37 0.01 0.86 0.23 0.00 0.00 176.35 177.37 2kjz s TRP 50 N 1.83 3.03 0.24 0.29 -0.11 -0.86 -2.49 118.94 120.86 2kjz s TRP 50 Ca 0.04 -0.78 -0.28 0.00 1.22 0.00 0.00 56.10 56.30 2kjz s TRP 50 Cb -0.17 -2.17 -0.09 0.00 -1.50 0.00 0.00 33.47 29.54 2kjz s TRP 50 CO -0.19 -0.49 0.90 -1.54 -4.62 0.00 0.00 176.95 171.01 2kjz s SER 51 N 1.52 7.52 0.48 5.86 1.04 -1.24 -1.51 113.70 127.38 2kjz s SER 51 Ca 0.05 1.85 0.32 0.00 0.48 0.00 0.00 55.95 58.65 2kjz s SER 51 Cb -0.15 -2.58 1.32 0.00 0.10 0.00 0.00 66.02 64.71 2kjz s SER 51 CO -0.00 0.13 1.93 0.08 0.98 0.00 0.00 173.24 176.35 2kjz h ARG 52 N 3.99 0.00 0.00 4.02 0.11 -1.10 -2.18 114.38 119.22 2kjz h ARG 52 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2kjz h ARG 52 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2kjz h ARG 52 CO 0.67 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.35 2kjz n HIS 53 N -2.87 0.00 -0.39 4.08 1.44 -1.26 -3.48 115.22 112.73 2kjz n HIS 53 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2kjz n HIS 53 Cb 0.28 -0.43 0.00 0.00 0.12 0.00 0.00 29.99 29.96 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 -1.43 0.47 -2.57 0.61 5.66 -0.85 -5.06 114.28 111.11 2kjz n THR 54 Ca 0.09 -0.54 -0.34 0.00 -3.05 0.00 0.00 64.05 60.21 2kjz n THR 54 Cb 0.29 0.86 -0.04 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.47 3.89 -0.18 1.08 0.11 -1.02 -4.98 120.40 118.84 2kjz s VAL 55 Ca 0.00 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.22 2kjz s VAL 55 Cb 0.00 -3.47 0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2kjz s VAL 55 CO 0.00 -0.27 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.81 2kjz s GLU 56 N -3.26 1.81 0.28 1.54 2.02 -1.26 -2.27 118.70 117.55 2kjz s GLU 56 Ca 0.66 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 2kjz s GLU 56 Cb -0.15 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 2kjz s GLU 56 CO 0.20 -0.40 1.02 -1.25 0.02 0.00 0.00 175.26 174.84 2kjz s PRO 57 N 1.51 4.67 0.07 0.39 0.04 -1.26 -5.10 135.00 135.32 2kjz s PRO 57 Ca 0.00 1.62 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 2kjz s PRO 57 Cb -0.15 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 2kjz s PRO 57 CO -0.08 0.29 1.84 1.17 0.04 0.00 0.00 177.00 180.27 2kjz n LYS 58 N 1.11 2.62 -4.04 4.56 0.00 -0.96 -4.97 118.16 116.47 2kjz n LYS 58 Ca -0.01 0.95 -0.10 0.00 0.00 0.00 0.00 58.31 59.16 2kjz n LYS 58 Cb 0.47 -2.84 -0.06 0.00 0.00 0.00 0.00 35.03 32.60 2kjz n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kjz s ALA 59 N 3.10 0.10 -0.37 3.14 0.00 -1.26 -5.08 121.76 121.40 2kjz s ALA 59 Ca 0.85 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2kjz s ALA 59 Cb -0.54 1.13 0.15 0.00 0.00 0.00 0.00 23.12 23.87 2kjz s ALA 59 CO 0.41 -0.80 0.36 0.45 0.00 0.00 0.00 175.76 176.17 2kjz s SER 60 N -3.06 1.36 -0.03 0.00 0.15 -1.26 -4.49 113.70 106.37 2kjz s SER 60 Ca 0.26 -1.62 -0.06 0.00 0.70 0.00 0.00 55.95 55.24 2kjz s SER 60 Cb 0.01 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2kjz s SER 60 CO 0.10 -0.27 0.13 0.68 1.20 0.00 0.00 173.24 175.09 2kjz s VAL 61 N 1.42 0.04 -0.12 4.45 -7.23 -1.26 -5.16 120.40 112.54 2kjz s VAL 61 Ca 0.17 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.99 2kjz s VAL 61 Cb -0.16 -0.29 0.06 0.00 0.56 0.00 0.00 36.38 36.54 2kjz s VAL 61 CO -0.04 -0.17 0.25 0.42 -0.31 0.00 0.00 175.10 175.26 2kjz s THR 62 N -0.54 -0.25 0.00 5.32 -4.23 -1.26 -4.87 115.64 109.81 2kjz s THR 62 Ca -0.06 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2kjz s THR 62 Cb -0.04 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2kjz s THR 62 CO 0.01 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2kjz n GLY 63 N 4.89 -1.22 3.31 3.99 0.00 -1.23 -5.02 105.19 109.91 2kjz n GLY 63 Ca -0.14 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 2kjz n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 64 N 0.00 -0.27 0.00 -0.02 0.00 -1.26 -4.53 107.32 101.24 2kjz s GLY 64 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2kjz s GLY 64 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2kjz n GLY 65 N 1.30 0.12 3.39 0.20 0.00 -1.26 -5.11 105.19 103.83 2kjz n GLY 65 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 2kjz n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kjz s GLY 66 N 0.00 -0.63 -0.03 -0.02 0.00 -1.26 -5.14 107.32 100.24 2kjz s GLY 66 Ca 0.00 2.44 -0.03 0.00 0.00 0.00 0.00 44.72 47.13 2kjz s GLY 66 CO 0.00 3.28 0.13 -0.54 0.00 0.00 0.00 173.10 175.97 2kjz s GLU 67 N 2.78 3.28 -0.43 2.90 0.41 -1.26 -4.62 118.70 121.77 2kjz s GLU 67 Ca 0.03 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.16 2kjz s GLU 67 Cb -0.11 -3.01 0.10 0.00 -1.78 0.00 0.00 34.13 29.33 2kjz s GLU 67 CO -0.18 0.68 0.27 -1.17 -0.49 0.00 0.00 175.26 174.37 2kjz s LEU 68 N -1.68 5.36 -0.41 1.80 0.20 -0.02 -4.93 118.68 119.01 2kjz s LEU 68 Ca 0.23 -1.82 -0.21 0.00 0.69 0.00 0.00 54.13 53.02 2kjz s LEU 68 Cb -0.12 -1.94 0.02 0.00 -0.43 0.00 0.00 46.19 43.71 2kjz s LEU 68 CO 0.14 -0.60 0.69 0.00 -0.29 0.00 0.00 176.35 176.30 2kjz s ALA 69 N 1.31 3.37 -0.40 5.97 0.00 -1.26 -0.38 121.76 130.36 2kjz s ALA 69 Ca 0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 2kjz s ALA 69 Cb -0.24 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2kjz s ALA 69 CO -0.01 -1.67 0.65 -0.06 0.00 0.00 0.00 175.76 174.66 2kjz s PHE 70 N 2.94 3.09 -0.11 0.00 0.40 0.19 -4.98 117.98 119.52 2kjz s PHE 70 Ca 0.26 0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 56.52 2kjz s PHE 70 Cb -0.14 -3.29 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2kjz s PHE 70 CO 0.19 -0.78 0.56 1.03 0.70 0.00 0.00 175.22 176.92 2kjz s ARG 71 N 2.81 4.36 0.14 0.44 0.52 -1.26 -2.63 118.95 123.33 2kjz s ARG 71 Ca 0.24 0.60 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 2kjz s ARG 71 Cb -0.14 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2kjz s ARG 71 CO 0.18 0.09 -0.10 0.14 0.02 0.00 0.00 175.30 175.62 2kjz s VAL 72 N 0.79 1.14 0.28 3.52 -7.23 -1.21 -5.02 120.40 112.68 2kjz s VAL 72 Ca 0.30 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2kjz s VAL 72 Cb -0.16 -1.77 0.08 0.00 0.56 0.00 0.00 36.38 35.10 2kjz s VAL 72 CO 0.13 -0.71 1.74 1.05 -0.31 0.00 0.00 175.10 177.00 2kjz h GLU 73 N 2.92 0.53 -2.81 4.82 4.11 -1.96 -3.41 114.58 118.79 2kjz h GLU 73 Ca -0.37 -0.18 0.06 0.00 0.07 0.00 0.00 59.36 58.94 2kjz h GLU 73 Cb 1.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2kjz h GLU 73 CO 0.61 0.70 0.39 0.54 0.07 0.00 0.00 179.01 181.32 2kjz s ASN 74 N -6.79 -0.01 0.49 3.06 2.20 -1.26 -4.78 114.94 107.85 2kjz s ASN 74 Ca -0.07 -0.93 0.16 0.00 -0.94 0.00 0.00 52.86 51.07 2kjz s ASN 74 Cb 0.14 0.71 1.18 0.00 -2.00 0.00 0.00 41.25 41.28 2kjz s ASN 74 CO 0.79 -1.40 2.08 -2.24 -2.94 0.00 0.00 177.10 173.39 2kjz h ASP 75 N 2.00 0.14 -0.22 3.54 2.03 -1.91 -1.61 116.42 120.39 2kjz h ASP 75 Ca -0.30 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.97 2kjz h ASP 75 Cb 1.24 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 2kjz h ASP 75 CO 0.38 0.10 0.01 0.00 -1.03 0.00 0.00 179.24 178.69 2kjz h ALA 76 N 1.86 0.29 0.00 4.15 0.00 -1.99 -2.89 119.26 120.69 2kjz h ALA 76 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2kjz h ALA 76 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kjz h ALA 76 CO -0.02 0.00 -0.05 1.96 0.00 0.00 0.00 179.25 181.15 2kjz h GLN 77 N 0.15 0.00 -0.41 0.00 1.08 -1.72 -0.08 115.11 114.13 2kjz h GLN 77 Ca 0.06 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2kjz h GLN 77 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2kjz h GLN 77 CO 0.01 0.05 -0.13 0.28 -0.95 0.00 0.00 178.83 178.09 2kjz h VAL 78 N 0.00 1.28 0.00 -0.54 2.07 -1.34 -2.27 116.25 115.45 2kjz h VAL 78 Ca -0.00 -1.25 -0.15 0.00 0.82 0.00 0.00 66.70 66.12 2kjz h VAL 78 Cb 0.22 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2kjz h VAL 78 CO 0.01 0.42 -0.72 -0.78 0.02 0.00 0.00 177.57 176.52 2kjz h ASP 79 N 0.64 0.00 -0.14 0.57 3.58 -0.98 -0.72 116.42 119.37 2kjz h ASP 79 Ca 0.10 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 2kjz h ASP 79 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2kjz h ASP 79 CO 0.05 0.72 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.47 2kjz h GLU 80 N 0.00 0.46 -0.23 0.28 5.08 -1.10 -1.92 114.58 117.15 2kjz h GLU 80 Ca -0.01 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2kjz h GLU 80 Cb 1.34 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2kjz h GLU 80 CO 0.09 0.92 -0.15 1.15 -1.00 0.00 0.00 179.01 180.03 2kjz h THR 81 N 0.07 1.22 0.60 1.13 2.02 -1.40 -2.06 112.91 114.48 2kjz h THR 81 Ca -0.00 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 2kjz h THR 81 Cb 0.92 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2kjz h THR 81 CO 0.07 0.31 -0.48 0.15 0.37 0.00 0.00 175.52 175.94 2kjz h PHE 82 N 0.35 -1.31 -0.69 3.16 3.04 -1.01 -2.10 116.94 118.38 2kjz h PHE 82 Ca 0.07 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 2kjz h PHE 82 Cb 0.47 0.49 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 2kjz h PHE 82 CO 0.01 -0.67 0.29 0.00 -2.02 0.00 0.00 178.31 175.92 2kjz h ALA 83 N -0.89 1.20 -0.57 2.41 0.00 -1.21 -0.09 119.26 120.12 2kjz h ALA 83 Ca -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2kjz h ALA 83 Cb 0.88 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2kjz h ALA 83 CO 0.00 0.58 0.11 0.78 0.00 0.00 0.00 179.25 180.73 2kjz h GLY 84 N 1.07 1.00 0.99 0.00 0.00 -1.38 -1.00 103.07 103.74 2kjz h GLY 84 Ca 0.23 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 2kjz h GLY 84 CO -0.02 0.61 0.14 1.49 0.00 0.00 0.00 176.54 178.76 2kjz h TRP 85 N 0.82 0.90 -0.72 5.60 4.06 -0.90 -2.03 115.95 123.68 2kjz h TRP 85 Ca 0.17 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 61.04 2kjz h TRP 85 Cb 0.39 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 2kjz h TRP 85 CO 0.03 0.78 0.46 -0.22 -3.56 0.00 0.00 178.44 175.93 2kjz h LYS 86 N 0.76 0.89 0.00 0.49 3.64 -0.85 -1.34 116.57 120.17 2kjz h LYS 86 Ca 0.17 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2kjz h LYS 86 Cb 0.32 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2kjz h LYS 86 CO -0.00 0.59 -0.40 0.00 -2.27 0.00 0.00 179.45 177.37 2kjz h ALA 87 N 1.29 1.17 -0.62 5.00 0.00 -1.10 -3.11 119.26 121.90 2kjz h ALA 87 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kjz h ALA 87 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kjz h ALA 87 CO -0.09 0.51 0.00 0.45 0.00 0.00 0.00 179.25 180.12 2kjz n SER 88 N -3.82 4.41 0.00 0.00 2.88 -0.61 -4.95 113.62 111.52 2kjz n SER 88 Ca -0.01 -2.37 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 2kjz n SER 88 Cb 0.47 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.16 0.61 3.72 0.46 0.00 -0.66 -5.01 105.19 105.47 2kjz n GLY 89 Ca 0.24 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 2kjz n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kjz s VAL 90 N -2.00 5.01 0.18 1.61 1.01 -0.61 -4.65 120.40 120.96 2kjz s VAL 90 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 2kjz s VAL 90 Cb 0.00 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.44 2kjz s VAL 90 CO 0.00 0.27 1.76 0.00 0.00 0.00 0.00 175.10 177.12 2kjz h ALA 91 N 6.62 0.85 -5.93 5.51 0.00 -1.07 -3.42 119.26 121.81 2kjz h ALA 91 Ca -0.41 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2kjz h ALA 91 Cb 1.20 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kjz h ALA 91 CO 0.75 0.44 -0.90 0.00 0.00 0.00 0.00 179.25 179.54 2kjz n MET 92 N -4.44 -2.10 -3.71 0.00 3.85 -0.36 -4.85 117.12 105.51 2kjz n MET 92 Ca 0.05 1.76 -0.35 0.00 -1.00 0.00 0.00 57.70 58.16 2kjz n MET 92 Cb 0.15 -3.66 -0.08 0.00 -1.05 0.00 0.00 33.22 28.58 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 -2.35 5.31 0.00 3.17 -0.00 -1.26 -4.87 118.68 118.68 2kjz s LEU 93 Ca 0.28 -3.52 0.00 0.00 -0.00 0.00 0.00 54.13 50.88 2kjz s LEU 93 Cb -0.05 -1.84 0.00 0.00 -0.00 0.00 0.00 46.19 44.30 2kjz s LEU 93 CO 0.76 -0.21 0.00 1.67 -0.00 0.00 0.00 176.35 178.57 2kjz n GLN 94 N 2.56 0.00 -2.51 1.48 0.00 -1.25 -4.89 117.38 112.77 2kjz n GLN 94 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.74 2kjz n GLN 94 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.59 2kjz n GLN 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2kjz s GLN 95 N 0.00 4.06 -0.45 3.69 -0.21 -1.26 -4.56 119.66 120.94 2kjz s GLN 95 Ca 0.00 1.29 -0.41 0.00 0.02 0.00 0.00 55.36 56.26 2kjz s GLN 95 Cb 0.00 -3.79 -0.17 0.00 1.00 0.00 0.00 33.01 30.06 2kjz s GLN 95 CO 0.00 -0.92 2.12 -2.30 -2.12 0.00 0.00 175.29 172.08 2kjz n PRO 96 N 6.93 0.36 -4.69 2.91 -0.02 -1.26 -4.94 135.00 134.28 2kjz n PRO 96 Ca 0.13 0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 2kjz n PRO 96 Cb 0.46 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 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 6.19 2.41 -0.72 3.55 0.00 -0.15 -4.91 121.76 128.13 2kjz s ALA 97 Ca 1.16 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 2kjz s ALA 97 Cb -1.29 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2kjz s ALA 97 CO 0.62 0.55 1.55 0.21 0.00 0.00 0.00 175.76 178.68 2kjz s LYS 98 N -1.52 2.98 0.73 0.00 2.36 -1.26 -1.01 119.74 122.02 2kjz s LYS 98 Ca 0.13 0.00 -0.11 0.00 -2.55 0.00 0.00 55.97 53.44 2kjz s LYS 98 Cb -0.10 -4.40 0.03 0.00 -1.05 0.00 0.00 37.83 32.30 2kjz s LYS 98 CO 0.04 -2.44 1.09 1.41 1.55 0.00 0.00 175.35 177.00 2kjz s MET 99 N 6.24 2.70 0.52 4.03 -2.45 -0.11 -4.92 119.30 125.31 2kjz s MET 99 Ca 0.50 0.56 0.20 0.00 -1.25 0.00 0.00 55.69 55.70 2kjz s MET 99 Cb -0.09 -1.99 1.38 0.00 1.25 0.00 0.00 34.83 35.37 2kjz s MET 99 CO 0.14 -1.17 2.14 0.93 1.05 0.00 0.00 175.02 178.11 2kjz h GLU 100 N -0.76 0.00 -0.66 4.11 5.08 -2.01 -1.35 114.58 118.99 2kjz h GLU 100 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2kjz h GLU 100 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kjz h GLU 100 CO 0.62 0.05 0.00 1.19 -1.00 0.00 0.00 179.01 179.87 2kjz n PHE 101 N -4.23 1.57 0.00 4.33 3.01 -1.26 -4.93 117.46 115.96 2kjz n PHE 101 Ca -0.03 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.82 2kjz n PHE 101 Cb 0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 2kjz n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kjz n GLY 102 N 1.10 0.86 3.57 1.37 0.00 -0.51 -4.25 105.19 107.33 2kjz n GLY 102 Ca 0.26 -2.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.00 2.02 0.23 1.61 5.04 0.30 -0.93 117.35 124.62 2kjz s TYR 103 Ca 0.00 0.52 0.08 0.00 -2.44 0.00 0.00 57.07 55.23 2kjz s TYR 103 Cb 0.00 -4.30 -0.04 0.00 0.35 0.00 0.00 41.96 37.97 2kjz s TYR 103 CO 0.00 -2.20 0.06 -0.08 -1.34 0.00 0.00 175.55 171.99 2kjz s THR 104 N 7.15 3.88 -0.04 4.34 -1.32 -0.18 -0.65 115.64 128.83 2kjz s THR 104 Ca 0.58 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 59.43 2kjz s THR 104 Cb -0.12 -3.04 0.01 0.00 -1.51 0.00 0.00 72.50 67.84 2kjz s THR 104 CO 0.23 -0.27 0.13 0.12 -2.21 0.00 0.00 174.62 172.62 2kjz s PHE 105 N -2.06 -0.11 -0.08 9.09 5.36 0.56 -0.97 117.98 129.76 2kjz s PHE 105 Ca 0.31 0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2kjz s PHE 105 Cb -0.08 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.65 2kjz s PHE 105 CO 0.21 -0.12 -0.04 0.99 -1.46 0.00 0.00 175.22 174.80 2kjz s THR 106 N -0.23 0.69 0.09 0.12 2.01 -1.26 -0.83 115.64 116.23 2kjz s THR 106 Ca -0.03 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.91 2kjz s THR 106 Cb -0.02 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2kjz s THR 106 CO 0.00 0.30 0.03 0.00 -0.69 0.00 0.00 174.62 174.27 2kjz s ALA 107 N 1.65 3.39 0.44 7.40 0.00 0.03 -3.81 121.76 130.85 2kjz s ALA 107 Ca 0.02 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2kjz s ALA 107 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2kjz s ALA 107 CO -0.05 0.70 0.07 0.00 0.00 0.00 0.00 175.76 176.48 2kjz s ALA 108 N -1.38 3.57 0.24 0.00 0.00 -1.26 -1.33 121.76 121.61 2kjz s ALA 108 Ca 0.27 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2kjz s ALA 108 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2kjz s ALA 108 CO 0.20 -0.13 0.28 -0.40 0.00 0.00 0.00 175.76 175.71 2kjz n ASP 109 N -1.15 -0.75 -0.34 0.00 5.75 -1.26 -0.47 116.55 118.33 2kjz n ASP 109 Ca -0.07 -2.46 0.03 0.00 -0.01 0.00 0.00 54.79 52.27 2kjz n ASP 109 Cb 0.66 1.52 0.09 0.00 -1.03 0.00 0.00 41.12 42.36 2kjz n ASP 109 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2kjz n PRO 110 N -0.43 -0.13 0.12 0.11 -0.01 -1.26 -1.36 135.00 132.03 2kjz n PRO 110 Ca 0.03 1.41 0.13 0.00 -0.01 0.00 0.00 63.50 65.05 2kjz n PRO 110 Cb 0.43 -2.10 0.43 0.00 -0.01 0.00 0.00 33.50 32.25 2kjz n PRO 110 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 175.50 175.71 2kjz h ASP 111 N 0.00 0.00 -3.57 2.55 3.58 -1.98 -3.47 116.42 113.52 2kjz h ASP 111 Ca 0.39 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.71 2kjz h ASP 111 Cb 0.61 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.73 2kjz h ASP 111 CO -0.92 0.00 -0.32 -1.20 -2.88 0.00 0.00 179.24 173.92 2kjz n SER 112 N -2.30 -2.43 -4.42 2.28 7.64 -0.46 -4.78 113.62 109.15 2kjz n SER 112 Ca 0.04 -0.26 -0.29 0.00 1.01 0.00 0.00 58.87 59.38 2kjz n SER 112 Cb 0.38 -2.35 0.15 0.00 -1.01 0.00 0.00 64.21 61.37 2kjz n SER 112 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kjz s HIS 113 N -3.15 2.08 -0.28 1.43 3.76 -1.26 -3.50 115.29 114.37 2kjz s HIS 113 Ca 0.04 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.43 2kjz s HIS 113 Cb -0.01 -3.87 0.08 0.00 1.11 0.00 0.00 32.58 29.89 2kjz s HIS 113 CO 0.29 -2.31 -0.02 1.03 -0.85 0.00 0.00 174.74 172.88 2kjz s ARG 114 N -5.76 1.65 -0.33 1.40 1.81 -1.26 -4.10 118.95 112.37 2kjz s ARG 114 Ca 0.70 -1.40 0.02 0.00 -1.72 0.00 0.00 55.73 53.33 2kjz s ARG 114 Cb -0.06 -2.82 0.09 0.00 -0.45 0.00 0.00 34.95 31.70 2kjz s ARG 114 CO 0.51 -0.74 0.03 -0.51 -0.68 0.00 0.00 175.30 173.91 2kjz s LEU 115 N 1.17 4.42 0.21 2.53 1.43 -0.45 -0.84 118.68 127.16 2kjz s LEU 115 Ca 0.00 -1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 51.11 2kjz s LEU 115 Cb -0.19 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.30 2kjz s LEU 115 CO -0.08 -0.35 0.63 -0.60 0.23 0.00 0.00 176.35 176.18 2kjz s ARG 116 N 1.03 4.05 -0.10 1.70 3.52 0.49 -0.79 118.95 128.84 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 -0.20 -2.81 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2kjz s ARG 116 CO -0.06 0.38 -0.04 0.08 -0.81 0.00 0.00 175.30 174.86 2kjz s VAL 117 N -1.60 0.77 0.28 7.11 1.01 -0.01 -0.64 120.40 127.32 2kjz s VAL 117 Ca 0.43 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.30 2kjz s VAL 117 Cb -0.14 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 2kjz s VAL 117 CO 0.20 0.29 -0.06 -0.72 0.00 0.00 0.00 175.10 174.81 2kjz s TYR 118 N 1.81 1.96 -0.20 5.22 1.13 -1.08 -0.32 117.35 125.86 2kjz s TYR 118 Ca 0.04 -0.70 -0.00 0.00 -1.41 0.00 0.00 57.07 55.00 2kjz s TYR 118 Cb -0.13 -1.12 0.05 0.00 -1.10 0.00 0.00 41.96 39.67 2kjz s TYR 118 CO -0.07 0.27 -0.03 0.00 -2.51 0.00 0.00 175.55 173.21 2kjz s ALA 119 N -3.02 1.58 -0.23 9.51 0.00 0.18 -3.30 121.76 126.48 2kjz s ALA 119 Ca 0.30 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2kjz s ALA 119 Cb 0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 2kjz s ALA 119 CO 0.12 -1.06 1.31 0.12 0.00 0.00 0.00 175.76 176.25 2kjz s PHE 120 N 1.58 2.70 -0.64 0.00 5.36 -1.26 -0.53 117.98 125.19 2kjz s PHE 120 Ca -0.03 0.90 -0.27 0.00 -0.96 0.00 0.00 56.93 56.57 2kjz s PHE 120 Cb -0.17 -3.74 -0.01 0.00 -0.34 0.00 0.00 43.02 38.76 2kjz s PHE 120 CO -0.07 -1.82 1.68 0.00 -1.46 0.00 0.00 175.22 173.55 2kjz s ALA 121 N 4.06 2.38 0.00 11.12 0.00 -1.26 -4.97 121.76 133.09 2kjz s ALA 121 Ca 0.57 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2kjz s ALA 121 Cb -0.20 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2kjz s ALA 121 CO 0.20 -3.65 0.00 0.41 0.00 0.00 0.00 175.76 172.72