#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 4.45 -0.17 3.17 2.01 -1.26 -5.07 115.64 118.77 2kjz s THR 2 Ca 0.00 1.40 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 2kjz s THR 2 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2kjz s THR 2 CO 0.00 -0.14 -0.02 -1.00 -0.69 0.00 0.00 174.62 172.77 2kjz s HIS 3 N -1.95 3.04 -1.02 4.92 0.09 -1.26 -5.06 115.29 114.05 2kjz s HIS 3 Ca 0.56 -0.36 -0.18 0.00 -0.00 0.00 0.00 55.06 55.08 2kjz s HIS 3 Cb -0.12 -2.01 0.12 0.00 -0.00 0.00 0.00 32.58 30.57 2kjz s HIS 3 CO 0.17 -0.12 1.27 -1.25 -0.00 0.00 0.00 174.74 174.81 2kjz s PRO 4 N 0.63 3.72 0.00 8.40 0.04 -1.26 -4.79 135.00 141.74 2kjz s PRO 4 Ca -0.01 -1.85 0.27 0.00 0.04 0.00 0.00 61.00 59.44 2kjz s PRO 4 Cb -0.14 -5.04 1.37 0.00 0.04 0.00 0.00 34.50 30.73 2kjz s PRO 4 CO 0.02 -1.86 1.91 -0.40 0.04 0.00 0.00 177.00 176.71 2kjz n ASP 5 N 6.78 0.57 -4.01 6.66 5.75 -1.26 -4.77 116.55 126.27 2kjz n ASP 5 Ca 0.29 -1.31 -0.30 0.00 -0.01 0.00 0.00 54.79 53.47 2kjz n ASP 5 Cb 0.48 -0.01 -0.17 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.97 2.08 -0.08 2.11 2.19 -1.26 -1.26 117.98 119.79 2kjz s PHE 6 Ca 0.39 -1.15 0.01 0.00 0.33 0.00 0.00 56.93 56.51 2kjz s PHE 6 Cb 0.19 -1.54 -0.03 0.00 -1.31 0.00 0.00 43.02 40.33 2kjz s PHE 6 CO 0.31 -0.64 -0.10 -0.08 1.83 0.00 0.00 175.22 176.55 2kjz s THR 7 N 1.46 3.43 -0.15 0.12 -1.32 -0.50 -5.00 115.64 113.69 2kjz s THR 7 Ca 0.04 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2kjz s THR 7 Cb -0.13 -2.40 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 2kjz s THR 7 CO -0.10 0.58 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.15 2kjz s ILE 8 N -0.51 3.19 0.08 5.08 1.01 -1.26 -1.29 121.20 127.50 2kjz s ILE 8 Ca 0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 2kjz s ILE 8 Cb -0.12 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2kjz s ILE 8 CO 0.02 0.50 0.41 -0.76 0.00 0.00 0.00 174.94 175.11 2kjz s LEU 9 N 0.56 4.35 -0.45 2.97 2.01 -0.47 -4.94 118.68 122.71 2kjz s LEU 9 Ca -0.07 0.81 -0.13 0.00 0.01 0.00 0.00 54.13 54.75 2kjz s LEU 9 Cb -0.15 -3.00 0.07 0.00 0.01 0.00 0.00 46.19 43.12 2kjz s LEU 9 CO 0.03 0.17 0.34 -0.47 1.01 0.00 0.00 176.35 177.43 2kjz s TYR 10 N -1.40 3.28 0.23 0.29 5.04 -1.26 -1.33 117.35 122.20 2kjz s TYR 10 Ca 0.33 -1.15 0.10 0.00 -2.44 0.00 0.00 57.07 53.91 2kjz s TYR 10 Cb -0.14 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.05 2kjz s TYR 10 CO 0.18 -0.81 -0.11 0.14 -1.34 0.00 0.00 175.55 173.61 2kjz s VAL 11 N 1.56 3.02 -0.20 3.14 -7.23 -0.49 -4.83 120.40 115.37 2kjz s VAL 11 Ca 0.04 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2kjz s VAL 11 Cb -0.24 -2.55 -0.12 0.00 0.56 0.00 0.00 36.38 34.04 2kjz s VAL 11 CO 0.05 -0.25 -0.21 -0.90 -0.31 0.00 0.00 175.10 173.49 2kjz n ASP 12 N -0.34 2.17 -4.44 4.85 5.75 -1.26 -1.86 116.55 121.42 2kjz n ASP 12 Ca -0.09 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.26 2kjz n ASP 12 Cb 0.57 -0.41 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 2kjz n ASP 12 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kjz s ASN 13 N -6.22 6.22 0.09 -1.12 0.01 -1.26 -4.70 114.94 107.96 2kjz s ASN 13 Ca -0.28 -0.92 -0.35 0.00 -0.71 0.00 0.00 52.86 50.60 2kjz s ASN 13 Cb 0.08 -2.28 -0.16 0.00 0.41 0.00 0.00 41.25 39.30 2kjz s ASN 13 CO 0.43 -0.87 1.57 -0.65 -1.51 0.00 0.00 177.10 176.07 2kjz h PRO 14 N 8.97 -0.89 0.52 -0.60 0.11 -1.89 -2.31 132.00 135.91 2kjz h PRO 14 Ca -0.27 0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2kjz h PRO 14 Cb 1.10 0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.41 2kjz h PRO 14 CO 0.96 -0.59 -0.25 -1.00 -0.21 0.00 0.00 178.00 176.90 2kjz h PRO 15 N -0.92 -0.67 -0.64 1.05 0.13 -1.95 -2.90 132.00 126.10 2kjz h PRO 15 Ca -0.04 0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2kjz h PRO 15 Cb 0.83 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 2kjz h PRO 15 CO -0.12 -0.37 0.36 0.00 -0.23 0.00 0.00 178.00 177.65 2kjz h ALA 16 N -0.57 0.85 -0.21 -0.56 0.00 -2.00 -0.84 119.26 115.93 2kjz h ALA 16 Ca -0.07 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2kjz h ALA 16 Cb 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kjz h ALA 16 CO 0.12 0.05 -0.68 1.03 0.00 0.00 0.00 179.25 179.77 2kjz h SER 17 N 0.68 0.94 -0.60 0.00 0.87 -1.53 -2.64 113.55 111.28 2kjz h SER 17 Ca 0.28 -0.57 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 2kjz h SER 17 Cb 0.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2kjz h SER 17 CO -0.16 1.37 0.04 0.74 -0.53 0.00 0.00 176.83 178.29 2kjz h THR 18 N 0.59 1.26 -0.24 2.23 2.02 -1.09 -1.52 112.91 116.16 2kjz h THR 18 Ca -0.02 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 2kjz h THR 18 Cb 1.30 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2kjz h THR 18 CO 0.14 0.40 -0.28 1.56 0.37 0.00 0.00 175.52 177.72 2kjz h GLN 19 N 0.97 0.47 -0.28 6.66 1.08 -1.24 -1.37 115.11 121.40 2kjz h GLN 19 Ca 0.18 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2kjz h GLN 19 Cb 0.51 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2kjz h GLN 19 CO 0.02 0.70 0.06 0.35 -0.95 0.00 0.00 178.83 179.02 2kjz h PHE 20 N 0.41 0.47 -0.13 2.96 3.57 -1.04 -2.70 116.94 120.47 2kjz h PHE 20 Ca 0.06 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2kjz h PHE 20 Cb 0.70 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2kjz h PHE 20 CO 0.02 0.52 -0.21 1.88 -2.23 0.00 0.00 178.31 178.29 2kjz h TYR 21 N 0.28 0.25 -0.11 0.41 0.05 -1.11 -1.49 116.97 115.24 2kjz h TYR 21 Ca 0.09 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.86 2kjz h TYR 21 Cb 0.29 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 2kjz h TYR 21 CO 0.01 0.43 -0.10 0.87 -1.05 0.00 0.00 178.16 178.33 2kjz h LYS 22 N 0.21 -0.11 -0.17 4.88 1.57 -0.93 -1.55 116.57 120.46 2kjz h LYS 22 Ca 0.04 0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 2kjz h LYS 22 Cb 0.50 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.84 2kjz h LYS 22 CO 0.03 -0.08 -0.75 0.00 -0.57 0.00 0.00 179.45 178.09 2kjz h ALA 23 N 0.96 0.33 -0.36 3.86 0.00 -1.45 -1.07 119.26 121.52 2kjz h ALA 23 Ca 0.08 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kjz h ALA 23 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2kjz h ALA 23 CO -0.18 0.68 0.18 1.25 0.00 0.00 0.00 179.25 181.18 2kjz h LEU 24 N 0.56 0.26 0.11 0.00 5.85 -1.07 -3.10 115.31 117.93 2kjz h LEU 24 Ca -0.04 0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.42 2kjz h LEU 24 Cb 1.37 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2kjz h LEU 24 CO 0.16 0.20 -1.44 -0.07 -0.34 0.00 0.00 178.44 176.94 2kjz h LEU 25 N 0.37 0.37 0.00 2.25 3.38 -1.42 -3.49 115.31 116.76 2kjz h LEU 25 Ca 0.15 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2kjz h LEU 25 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kjz h LEU 25 CO -0.11 1.63 0.00 0.61 0.09 0.00 0.00 178.44 180.66 2kjz n GLY 26 N 1.74 1.63 3.42 0.83 0.00 -0.50 -5.11 105.19 107.21 2kjz n GLY 26 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 1.33 0.14 1.61 -7.23 -0.67 -5.00 120.40 108.56 2kjz s VAL 27 Ca 0.00 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 2kjz s VAL 27 Cb 0.00 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2kjz s VAL 27 CO 0.00 -0.16 -0.16 1.51 -0.31 0.00 0.00 175.10 175.97 2kjz s ASP 28 N -3.44 3.95 -0.14 4.85 -4.77 -1.26 -4.32 116.67 111.54 2kjz s ASP 28 Ca 0.33 -0.58 -0.29 0.00 -3.30 0.00 0.00 52.55 48.70 2kjz s ASP 28 Cb 0.07 -0.57 -0.04 0.00 -1.09 0.00 0.00 42.92 41.28 2kjz s ASP 28 CO 0.13 0.16 1.67 -2.84 0.70 0.00 0.00 175.17 174.98 2kjz s PRO 29 N -2.34 3.94 0.26 2.11 0.02 -1.26 -4.74 135.00 132.99 2kjz s PRO 29 Ca 0.20 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 2kjz s PRO 29 Cb -0.10 -4.03 0.32 0.00 0.02 0.00 0.00 34.50 30.71 2kjz s PRO 29 CO 0.11 -1.13 1.82 -0.24 -0.33 0.00 0.00 177.00 177.24 2kjz h VAL 30 N 5.93 1.24 -3.37 3.83 3.04 -1.37 -3.41 116.25 122.13 2kjz h VAL 30 Ca -0.37 -0.78 -0.61 0.00 -1.01 0.00 0.00 66.70 63.93 2kjz h VAL 30 Cb 1.17 0.48 -0.33 0.00 -2.01 0.00 0.00 31.29 30.60 2kjz h VAL 30 CO 0.98 0.31 -0.85 -1.61 -1.01 0.00 0.00 177.57 175.38 2kjz s GLU 31 N -5.40 2.51 -0.02 4.17 0.41 -0.81 -5.05 118.70 114.51 2kjz s GLU 31 Ca -0.11 -0.69 0.01 0.00 -0.41 0.00 0.00 54.97 53.77 2kjz s GLU 31 Cb 0.16 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 2kjz s GLU 31 CO 0.81 0.11 -0.04 -1.54 -0.49 0.00 0.00 175.26 174.12 2kjz s SER 32 N 0.48 0.60 0.03 -0.19 1.04 -1.26 -0.86 113.70 113.54 2kjz s SER 32 Ca -0.17 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 2kjz s SER 32 Cb -0.17 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 2kjz s SER 32 CO 0.07 -0.00 0.03 -0.44 0.98 0.00 0.00 173.24 173.87 2kjz s SER 33 N 0.38 0.25 0.63 7.02 0.01 0.24 -5.02 113.70 117.21 2kjz s SER 33 Ca -0.04 -0.58 0.34 0.00 1.31 0.00 0.00 55.95 56.97 2kjz s SER 33 Cb -0.07 0.17 1.89 0.00 0.21 0.00 0.00 66.02 68.22 2kjz s SER 33 CO -0.00 -0.43 2.14 1.55 0.41 0.00 0.00 173.24 176.90 2kjz h PRO 34 N 3.99 0.00 0.00 12.44 0.13 -2.01 -2.64 132.00 143.91 2kjz h PRO 34 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kjz h PRO 34 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kjz h PRO 34 CO 0.49 0.00 -0.01 -2.37 -0.23 0.00 0.00 178.00 175.88 2kjz n THR 35 N -3.35 0.62 -3.64 1.56 5.66 -1.26 -4.81 114.28 109.05 2kjz n THR 35 Ca -0.01 -0.63 -0.12 0.00 -3.05 0.00 0.00 64.05 60.24 2kjz n THR 35 Cb 0.26 0.67 -0.07 0.00 -1.55 0.00 0.00 70.33 69.63 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 -0.65 -0.81 0.16 1.09 2.19 -0.99 -2.82 117.98 116.14 2kjz s PHE 36 Ca 0.01 1.87 0.09 0.00 0.33 0.00 0.00 56.93 59.23 2kjz s PHE 36 Cb 0.01 0.34 -0.04 0.00 -1.31 0.00 0.00 43.02 42.02 2kjz s PHE 36 CO 0.00 -0.40 -0.20 0.45 1.83 0.00 0.00 175.22 176.90 2kjz s SER 37 N 0.68 2.85 -0.13 6.13 0.15 -0.67 -0.59 113.70 122.12 2kjz s SER 37 Ca -0.03 -0.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.74 2kjz s SER 37 Cb -0.05 -0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.14 2kjz s SER 37 CO -0.04 0.02 0.28 -0.22 1.20 0.00 0.00 173.24 174.48 2kjz s LEU 38 N -2.52 0.03 0.01 3.45 2.96 -0.04 -0.78 118.68 121.79 2kjz s LEU 38 Ca 0.15 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 2kjz s LEU 38 Cb -0.07 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.42 2kjz s LEU 38 CO 0.07 -0.20 -0.10 0.72 -1.32 0.00 0.00 176.35 175.52 2kjz s PHE 39 N 1.79 0.88 -0.09 5.38 -0.12 -0.67 -0.87 117.98 124.27 2kjz s PHE 39 Ca -0.05 -0.23 0.04 0.00 -0.05 0.00 0.00 56.93 56.64 2kjz s PHE 39 Cb -0.11 -0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2kjz s PHE 39 CO -0.09 -0.01 -0.23 0.08 -0.05 0.00 0.00 175.22 174.92 2kjz s VAL 40 N -0.47 2.16 0.16 -2.49 1.01 -1.26 -1.47 120.40 118.04 2kjz s VAL 40 Ca 0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2kjz s VAL 40 Cb -0.05 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 2kjz s VAL 40 CO 0.00 0.56 0.42 -0.76 0.00 0.00 0.00 175.10 175.32 2kjz s LEU 41 N 0.20 4.25 0.03 3.92 1.43 -0.91 -4.97 118.68 122.62 2kjz s LEU 41 Ca -0.14 0.67 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2kjz s LEU 41 Cb -0.17 -3.39 0.38 0.00 0.03 0.00 0.00 46.19 43.05 2kjz s LEU 41 CO 0.07 0.03 1.27 0.00 0.23 0.00 0.00 176.35 177.95 2kjz n ALA 42 N 0.06 1.33 0.30 4.21 0.00 -1.26 -1.90 120.51 123.25 2kjz n ALA 42 Ca -0.02 -0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.61 2kjz n ALA 42 Cb 0.52 -1.14 0.94 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.06 -3.46 115.58 114.27 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 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2kjz h ASN 43 CO 0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2kjz n GLY 44 N -0.53 0.40 3.97 2.83 0.00 -0.80 -5.10 105.19 105.96 2kjz n GLY 44 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.79 2.06 -0.03 1.61 0.23 -1.25 -4.97 119.30 116.17 2kjz s MET 45 Ca 0.00 -0.76 -0.02 0.00 -1.03 0.00 0.00 55.69 53.88 2kjz s MET 45 Cb 0.00 -2.33 0.01 0.00 -1.53 0.00 0.00 34.83 30.98 2kjz s MET 45 CO 0.00 -1.18 0.07 0.21 -2.03 0.00 0.00 175.02 172.09 2kjz s LYS 46 N -5.06 0.07 -0.05 3.16 2.20 -0.39 -2.14 119.74 117.53 2kjz s LYS 46 Ca 0.62 0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2kjz s LYS 46 Cb -0.08 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2kjz s LYS 46 CO 0.43 -0.02 0.03 -1.17 -0.36 0.00 0.00 175.35 174.26 2kjz s LEU 47 N 0.09 0.34 0.34 5.43 0.20 -0.54 -1.41 118.68 123.13 2kjz s LEU 47 Ca -0.00 0.01 0.07 0.00 0.69 0.00 0.00 54.13 54.90 2kjz s LEU 47 Cb -0.01 -0.27 -0.01 0.00 -0.43 0.00 0.00 46.19 45.47 2kjz s LEU 47 CO -0.00 -0.22 0.42 -0.83 -0.29 0.00 0.00 176.35 175.42 2kjz s GLY 48 N 2.07 1.70 -0.18 7.98 0.00 -0.41 -1.67 107.32 116.82 2kjz s GLY 48 Ca 0.05 -1.55 -0.02 0.00 0.00 0.00 0.00 44.72 43.19 2kjz s GLY 48 CO -0.04 -1.46 0.02 1.08 0.00 0.00 0.00 173.10 172.70 2kjz s LEU 49 N -4.13 1.19 -0.21 0.66 1.43 0.04 -1.37 118.68 116.29 2kjz s LEU 49 Ca 0.45 -0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2kjz s LEU 49 Cb -0.08 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2kjz s LEU 49 CO 0.30 -0.28 0.07 0.86 0.23 0.00 0.00 176.35 177.53 2kjz s TRP 50 N 1.84 3.16 -0.00 0.29 -0.11 -0.44 -1.67 118.94 122.01 2kjz s TRP 50 Ca -0.00 -0.14 -0.30 0.00 1.22 0.00 0.00 56.10 56.88 2kjz s TRP 50 Cb -0.16 -2.16 -0.04 0.00 -1.50 0.00 0.00 33.47 29.61 2kjz s TRP 50 CO -0.07 -0.09 1.08 -1.12 -4.62 0.00 0.00 176.95 172.12 2kjz s SER 51 N 0.98 7.23 0.04 5.86 0.01 -1.13 -1.40 113.70 125.29 2kjz s SER 51 Ca 0.04 1.77 0.12 0.00 1.31 0.00 0.00 55.95 59.18 2kjz s SER 51 Cb -0.14 -2.57 0.51 0.00 0.21 0.00 0.00 66.02 64.03 2kjz s SER 51 CO 0.03 -0.39 1.37 -2.11 0.41 0.00 0.00 173.24 172.55 2kjz n ARG 52 N 4.22 0.02 0.05 12.44 1.85 -0.78 -2.17 116.66 132.31 2kjz n ARG 52 Ca 0.08 0.35 0.13 0.00 -1.00 0.00 0.00 57.85 57.41 2kjz n ARG 52 Cb 0.49 -1.56 0.42 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.60 0.45 -0.24 2.89 1.44 -1.26 -3.79 115.22 113.10 2kjz n HIS 53 Ca 0.02 0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 2kjz n HIS 53 Cb 0.12 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 29.57 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 -1.89 0.05 -1.83 0.61 5.66 -0.92 -5.08 114.28 110.86 2kjz n THR 54 Ca 0.06 -0.40 -0.41 0.00 -3.05 0.00 0.00 64.05 60.25 2kjz n THR 54 Cb 0.39 1.20 -0.00 0.00 -1.55 0.00 0.00 70.33 70.37 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 -0.05 2.12 -0.18 1.08 0.11 -1.10 -4.96 120.40 117.42 2kjz s VAL 55 Ca 0.00 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2kjz s VAL 55 Cb 0.00 -3.07 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2kjz s VAL 55 CO 0.00 0.03 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.08 2kjz s GLU 56 N -2.08 2.07 0.38 1.54 2.02 -1.26 -1.71 118.70 119.66 2kjz s GLU 56 Ca 0.53 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 2kjz s GLU 56 Cb -0.46 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 2kjz s GLU 56 CO 0.62 -0.37 1.13 -2.14 0.02 0.00 0.00 175.26 174.52 2kjz s PRO 57 N 1.44 4.17 0.11 0.39 0.02 -1.26 -5.10 135.00 134.77 2kjz s PRO 57 Ca 0.01 1.74 -0.36 0.00 0.02 0.00 0.00 61.00 62.41 2kjz s PRO 57 Cb -0.15 -2.71 -0.16 0.00 0.02 0.00 0.00 34.50 31.50 2kjz s PRO 57 CO -0.09 -0.19 1.40 1.63 -0.33 0.00 0.00 177.00 179.42 2kjz n LYS 58 N 0.19 1.43 -3.77 5.54 4.76 -0.69 -5.01 118.16 120.61 2kjz n LYS 58 Ca 0.04 0.51 -0.13 0.00 -2.87 0.00 0.00 58.31 55.87 2kjz n LYS 58 Cb 0.47 -2.19 -0.12 0.00 -1.84 0.00 0.00 35.03 31.35 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 0.57 -0.52 -0.74 7.82 0.00 -1.26 -5.10 121.76 122.53 2kjz s ALA 59 Ca 0.82 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 2kjz s ALA 59 Cb -0.87 -0.45 0.19 0.00 0.00 0.00 0.00 23.12 21.99 2kjz s ALA 59 CO 0.45 -0.13 0.60 -1.54 0.00 0.00 0.00 175.76 175.13 2kjz s SER 60 N 0.53 5.82 -0.19 0.00 1.04 -1.26 -4.91 113.70 114.73 2kjz s SER 60 Ca -0.03 -2.98 -0.27 0.00 0.48 0.00 0.00 55.95 53.14 2kjz s SER 60 Cb -0.05 -1.97 0.08 0.00 0.10 0.00 0.00 66.02 64.18 2kjz s SER 60 CO -0.03 -0.39 0.76 0.54 0.98 0.00 0.00 173.24 175.10 2kjz s VAL 61 N -0.26 0.00 -0.02 5.02 0.11 -1.26 -5.18 120.40 118.81 2kjz s VAL 61 Ca 0.19 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2kjz s VAL 61 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2kjz s VAL 61 CO -0.06 0.00 0.06 0.42 -3.33 0.00 0.00 175.10 172.18 2kjz s THR 62 N -0.26 -0.01 -0.59 5.04 -4.23 -1.26 -4.91 115.64 109.42 2kjz s THR 62 Ca -0.04 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2kjz s THR 62 Cb -0.03 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.72 2kjz s THR 62 CO 0.03 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2kjz n GLY 63 N 3.21 0.80 1.38 3.99 0.00 -0.82 -4.94 105.19 108.81 2kjz n GLY 63 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.30 2.57 0.00 -0.02 0.00 -1.26 -4.91 105.19 99.27 2kjz n GLY 64 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.18 0.78 2.10 -0.02 0.00 -1.26 -5.14 105.19 101.83 2kjz n GLY 65 Ca 0.20 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -3.96 3.87 -0.02 0.00 -1.26 -4.45 105.19 99.37 2kjz n GLY 66 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 2kjz n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kjz s GLU 67 N -0.84 3.11 -0.33 1.61 8.01 -1.26 -4.05 118.70 124.95 2kjz s GLU 67 Ca -0.09 -0.90 0.03 0.00 0.01 0.00 0.00 54.97 54.02 2kjz s GLU 67 Cb 0.01 -2.70 0.09 0.00 -4.31 0.00 0.00 34.13 27.21 2kjz s GLU 67 CO 0.42 0.44 0.04 -0.51 0.01 0.00 0.00 175.26 175.65 2kjz s LEU 68 N -3.68 4.53 -0.53 1.80 1.43 -0.64 -4.96 118.68 116.63 2kjz s LEU 68 Ca 0.33 -1.96 -0.24 0.00 -1.03 0.00 0.00 54.13 51.24 2kjz s LEU 68 Cb -0.09 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2kjz s LEU 68 CO 0.26 -0.36 0.91 0.00 0.23 0.00 0.00 176.35 177.39 2kjz s ALA 69 N 0.99 3.19 -0.42 4.21 0.00 -1.26 -0.35 121.76 128.13 2kjz s ALA 69 Ca 0.06 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.53 2kjz s ALA 69 Cb -0.20 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.26 2kjz s ALA 69 CO -0.07 -2.31 0.95 -0.06 0.00 0.00 0.00 175.76 174.28 2kjz s PHE 70 N 3.80 2.99 -0.14 0.00 0.40 0.07 -4.96 117.98 120.14 2kjz s PHE 70 Ca 0.30 0.62 -0.20 0.00 -0.60 0.00 0.00 56.93 57.05 2kjz s PHE 70 Cb -0.13 -3.86 -0.04 0.00 0.51 0.00 0.00 43.02 39.50 2kjz s PHE 70 CO 0.19 -0.98 0.56 1.03 0.70 0.00 0.00 175.22 176.72 2kjz s ARG 71 N 3.70 4.30 0.16 0.44 0.52 -1.26 -2.51 118.95 124.30 2kjz s ARG 71 Ca 0.39 0.56 0.06 0.00 -0.52 0.00 0.00 55.73 56.23 2kjz s ARG 71 Cb -0.11 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 2kjz s ARG 71 CO 0.23 -0.01 -0.13 0.14 0.02 0.00 0.00 175.30 175.55 2kjz s VAL 72 N 1.14 1.47 0.25 3.52 -7.23 -1.17 -5.02 120.40 113.36 2kjz s VAL 72 Ca 0.28 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2kjz s VAL 72 Cb -0.16 -1.84 0.14 0.00 0.56 0.00 0.00 36.38 35.08 2kjz s VAL 72 CO 0.12 -0.57 1.78 1.05 -0.31 0.00 0.00 175.10 177.16 2kjz h GLU 73 N 2.92 0.94 -2.97 4.82 4.11 -1.96 -3.42 114.58 119.02 2kjz h GLU 73 Ca -0.38 -0.21 0.01 0.00 0.07 0.00 0.00 59.36 58.84 2kjz h GLU 73 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kjz h GLU 73 CO 0.59 0.85 0.28 0.54 0.07 0.00 0.00 179.01 181.34 2kjz s ASN 74 N -6.54 -0.04 0.52 3.06 2.20 -1.26 -4.75 114.94 108.13 2kjz s ASN 74 Ca -0.11 -1.04 0.19 0.00 -0.94 0.00 0.00 52.86 50.97 2kjz s ASN 74 Cb 0.15 0.82 1.33 0.00 -2.00 0.00 0.00 41.25 41.55 2kjz s ASN 74 CO 0.82 -1.60 2.13 -2.24 -2.94 0.00 0.00 177.10 173.26 2kjz h ASP 75 N 2.00 0.00 -0.20 3.54 2.03 -1.91 -1.41 116.42 120.48 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 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2kjz h ASP 75 CO 0.38 0.05 0.01 0.00 -1.03 0.00 0.00 179.24 178.65 2kjz h ALA 76 N 1.95 0.26 0.00 4.15 0.00 -1.98 -3.00 119.26 120.64 2kjz h ALA 76 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kjz h ALA 76 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kjz h ALA 76 CO 0.01 -0.04 -0.06 1.96 0.00 0.00 0.00 179.25 181.12 2kjz h GLN 77 N 0.11 0.00 -0.46 0.00 1.08 -1.68 -1.02 115.11 113.13 2kjz h GLN 77 Ca 0.06 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2kjz h GLN 77 Cb 0.36 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2kjz h GLN 77 CO 0.01 0.06 -0.00 0.28 -0.95 0.00 0.00 178.83 178.22 2kjz h VAL 78 N 0.00 1.26 0.00 -0.54 2.07 -1.40 -1.98 116.25 115.66 2kjz h VAL 78 Ca -0.00 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.32 2kjz h VAL 78 Cb 0.29 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2kjz h VAL 78 CO 0.01 0.37 -0.65 -0.78 0.02 0.00 0.00 177.57 176.54 2kjz h ASP 79 N 0.67 0.00 -0.26 0.57 3.58 -1.17 -0.78 116.42 119.03 2kjz h ASP 79 Ca 0.13 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 2kjz h ASP 79 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kjz h ASP 79 CO 0.02 0.65 -0.20 -0.33 -2.88 0.00 0.00 179.24 176.50 2kjz h GLU 80 N 0.00 0.60 -0.40 0.28 5.08 -1.21 -1.24 114.58 117.69 2kjz h GLU 80 Ca -0.01 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2kjz h GLU 80 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2kjz h GLU 80 CO 0.08 0.88 -0.08 1.15 -1.00 0.00 0.00 179.01 180.05 2kjz h THR 81 N 0.32 1.24 0.67 1.13 2.02 -1.27 -1.69 112.91 115.33 2kjz h THR 81 Ca 0.05 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 2kjz h THR 81 Cb 0.75 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2kjz h THR 81 CO 0.05 0.36 -0.36 0.15 0.37 0.00 0.00 175.52 176.10 2kjz h PHE 82 N 0.63 -0.93 -0.75 3.16 3.04 -1.03 -2.25 116.94 118.80 2kjz h PHE 82 Ca 0.12 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2kjz h PHE 82 Cb 0.51 0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 2kjz h PHE 82 CO 0.02 -0.56 0.44 0.00 -2.02 0.00 0.00 178.31 176.19 2kjz h ALA 83 N -0.65 1.36 -0.51 2.41 0.00 -1.15 -0.67 119.26 120.06 2kjz h ALA 83 Ca -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2kjz h ALA 83 Cb 0.74 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2kjz h ALA 83 CO 0.13 0.54 -0.16 0.78 0.00 0.00 0.00 179.25 180.54 2kjz h GLY 84 N 1.06 1.09 1.02 0.00 0.00 -1.29 -0.47 103.07 104.47 2kjz h GLY 84 Ca 0.27 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 2kjz h GLY 84 CO -0.05 0.83 -0.11 1.49 0.00 0.00 0.00 176.54 178.70 2kjz h TRP 85 N 0.88 0.95 -1.00 5.60 4.06 -0.96 -1.69 115.95 123.79 2kjz h TRP 85 Ca 0.13 -0.21 0.03 0.00 2.06 0.00 0.00 58.89 60.91 2kjz h TRP 85 Cb 0.73 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.60 2kjz h TRP 85 CO 0.05 0.95 0.65 -0.22 -3.56 0.00 0.00 178.44 176.31 2kjz h LYS 86 N 0.68 1.23 0.00 0.49 3.64 -1.05 -0.76 116.57 120.80 2kjz h LYS 86 Ca 0.11 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2kjz h LYS 86 Cb 0.65 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2kjz h LYS 86 CO 0.04 0.82 -0.41 0.00 -2.27 0.00 0.00 179.45 177.63 2kjz h ALA 87 N 1.40 1.20 -0.50 5.00 0.00 -0.91 -3.19 119.26 122.26 2kjz h ALA 87 Ca 0.39 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kjz h ALA 87 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kjz h ALA 87 CO -0.12 0.52 0.00 0.43 0.00 0.00 0.00 179.25 180.08 2kjz n SER 88 N -3.87 4.24 -0.01 0.00 7.64 -0.62 -4.97 113.62 116.03 2kjz n SER 88 Ca -0.01 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2kjz n SER 88 Cb 0.46 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2kjz n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kjz n GLY 89 N 0.62 0.98 3.70 0.23 0.00 -0.40 -5.00 105.19 105.31 2kjz n GLY 89 Ca 0.22 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.02 5.13 0.11 1.61 1.01 -0.58 -4.47 120.40 121.20 2kjz s VAL 90 Ca 0.00 1.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 2kjz s VAL 90 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2kjz s VAL 90 CO 0.00 0.25 1.70 0.00 0.00 0.00 0.00 175.10 177.05 2kjz h ALA 91 N 7.04 -0.04 -5.77 5.51 0.00 -1.52 -3.41 119.26 121.07 2kjz h ALA 91 Ca -0.38 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2kjz h ALA 91 Cb 1.17 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2kjz h ALA 91 CO 0.75 -0.56 -0.81 0.00 0.00 0.00 0.00 179.25 178.64 2kjz n MET 92 N -5.21 -2.21 -3.42 0.00 3.85 -1.06 -4.88 117.12 104.18 2kjz n MET 92 Ca -0.05 1.87 -0.43 0.00 -1.00 0.00 0.00 57.70 58.09 2kjz n MET 92 Cb 0.14 -4.18 -0.02 0.00 -1.05 0.00 0.00 33.22 28.10 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 -2.44 6.21 -0.29 3.17 -0.00 -1.26 -4.87 118.68 119.20 2kjz s LEU 93 Ca 0.28 -3.43 -0.23 0.00 -0.00 0.00 0.00 54.13 50.74 2kjz s LEU 93 Cb -0.05 -2.13 0.17 0.00 -0.00 0.00 0.00 46.19 44.18 2kjz s LEU 93 CO 0.78 -0.32 1.27 -1.58 -0.00 0.00 0.00 176.35 176.50 2kjz s GLN 94 N -0.98 0.21 -0.18 1.48 0.74 -1.26 -4.94 119.66 114.73 2kjz s GLN 94 Ca 0.27 0.27 -0.29 0.00 0.05 0.00 0.00 55.36 55.66 2kjz s GLN 94 Cb -0.10 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.10 2kjz s GLN 94 CO -0.09 -0.03 1.00 -0.65 -0.55 0.00 0.00 175.29 174.98 2kjz s GLN 95 N 0.29 4.32 -0.21 1.67 -0.21 -1.26 -4.82 119.66 119.45 2kjz s GLN 95 Ca 0.03 1.33 -0.29 0.00 0.02 0.00 0.00 55.36 56.46 2kjz s GLN 95 Cb -0.05 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.32 2kjz s GLN 95 CO -0.12 -0.48 1.98 -1.25 -2.12 0.00 0.00 175.29 173.30 2kjz s PRO 96 N 2.64 3.44 0.12 2.91 0.04 -1.26 -4.82 135.00 138.08 2kjz s PRO 96 Ca 0.45 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2kjz s PRO 96 Cb -0.16 -4.25 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2kjz s PRO 96 CO 0.11 -1.74 0.17 0.00 0.04 0.00 0.00 177.00 175.58 2kjz s ALA 97 N 6.89 0.21 -0.16 8.56 0.00 -0.46 -4.91 121.76 131.89 2kjz s ALA 97 Ca 0.89 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 2kjz s ALA 97 Cb -0.31 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2kjz s ALA 97 CO 0.35 -0.54 1.49 0.15 0.00 0.00 0.00 175.76 177.21 2kjz s LYS 98 N -3.96 4.06 0.51 0.00 -0.14 -1.26 -1.53 119.74 117.42 2kjz s LYS 98 Ca 0.15 1.79 0.06 0.00 -1.36 0.00 0.00 55.97 56.60 2kjz s LYS 98 Cb 0.05 -3.93 0.02 0.00 -1.68 0.00 0.00 37.83 32.30 2kjz s LYS 98 CO -0.03 -0.96 0.37 1.41 -0.76 0.00 0.00 175.35 175.37 2kjz s MET 99 N 4.08 2.28 0.31 1.68 -2.45 -0.27 -4.96 119.30 119.97 2kjz s MET 99 Ca 0.66 -1.95 0.07 0.00 -1.25 0.00 0.00 55.69 53.22 2kjz s MET 99 Cb -0.26 -2.11 0.83 0.00 1.25 0.00 0.00 34.83 34.55 2kjz s MET 99 CO 0.24 -0.51 1.71 0.93 1.05 0.00 0.00 175.02 178.45 2kjz h GLU 100 N 0.87 0.49 -0.38 4.11 4.39 -2.02 -1.58 114.58 120.46 2kjz h GLU 100 Ca -0.38 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2kjz h GLU 100 Cb 1.29 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2kjz h GLU 100 CO 0.59 0.32 0.00 1.19 -1.16 0.00 0.00 179.01 179.95 2kjz n PHE 101 N -4.95 1.37 0.00 4.33 3.01 -1.26 -5.03 117.46 114.93 2kjz n PHE 101 Ca 0.25 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.89 2kjz n PHE 101 Cb 0.72 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 -0.06 -0.35 3.60 1.37 0.00 -0.59 -4.03 105.19 105.12 2kjz n GLY 102 Ca 0.24 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 2.69 0.19 1.61 5.04 -0.05 -1.11 117.35 125.72 2kjz s TYR 103 Ca 0.00 0.70 -0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2kjz s TYR 103 Cb 0.00 -4.41 -0.04 0.00 0.35 0.00 0.00 41.96 37.86 2kjz s TYR 103 CO 0.00 -1.49 0.10 -0.08 -1.34 0.00 0.00 175.55 172.75 2kjz s THR 104 N 4.76 0.15 0.26 4.34 -1.32 -0.58 -0.71 115.64 122.54 2kjz s THR 104 Ca 0.52 -1.98 -0.19 0.00 -1.21 0.00 0.00 61.69 58.83 2kjz s THR 104 Cb -0.09 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 2kjz s THR 104 CO 0.32 -0.13 0.64 0.72 -2.21 0.00 0.00 174.62 173.96 2kjz s PHE 105 N -4.04 -0.04 -0.04 9.09 -0.71 -0.72 -1.36 117.98 120.16 2kjz s PHE 105 Ca 0.35 -0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 55.86 2kjz s PHE 105 Cb 0.07 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.45 2kjz s PHE 105 CO 0.10 -1.14 0.01 0.99 -1.34 0.00 0.00 175.22 173.84 2kjz s THR 106 N -3.94 0.19 0.22 -4.49 2.01 -1.26 -1.66 115.64 106.71 2kjz s THR 106 Ca 0.14 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.36 2kjz s THR 106 Cb -0.04 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2kjz s THR 106 CO 0.06 0.19 0.18 0.00 -0.69 0.00 0.00 174.62 174.36 2kjz s ALA 107 N 1.53 3.59 -0.25 7.40 0.00 0.12 -4.21 121.76 129.94 2kjz s ALA 107 Ca -0.03 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.61 2kjz s ALA 107 Cb -0.13 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.71 2kjz s ALA 107 CO -0.03 0.33 -0.11 0.00 0.00 0.00 0.00 175.76 175.96 2kjz s ALA 108 N -2.01 2.43 0.91 0.00 0.00 -1.26 -1.58 121.76 120.26 2kjz s ALA 108 Ca 0.32 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 2kjz s ALA 108 Cb -0.09 -1.52 0.14 0.00 0.00 0.00 0.00 23.12 21.66 2kjz s ALA 108 CO 0.25 -1.11 1.11 0.16 0.00 0.00 0.00 175.76 176.16 2kjz s ASP 109 N 1.17 3.42 0.38 0.00 -4.77 -1.25 -1.36 116.67 114.25 2kjz s ASP 109 Ca -0.07 1.20 0.20 0.00 -3.30 0.00 0.00 52.55 50.58 2kjz s ASP 109 Cb -0.19 -1.85 1.24 0.00 -1.09 0.00 0.00 42.92 41.03 2kjz s ASP 109 CO -0.06 -2.64 1.64 -0.65 0.70 0.00 0.00 175.17 174.16 2kjz h PRO 110 N -1.55 0.18 -0.08 2.11 0.11 -1.97 -0.23 132.00 130.57 2kjz h PRO 110 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kjz h PRO 110 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kjz h PRO 110 CO 0.59 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.24 2kjz n ASP 111 N -5.00 1.46 -2.60 -2.05 8.00 -1.26 -4.99 116.55 110.12 2kjz n ASP 111 Ca 0.35 -1.57 -0.06 0.00 0.71 0.00 0.00 54.79 54.22 2kjz n ASP 111 Cb 1.17 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 42.23 2kjz n ASP 111 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kjz n SER 112 N 0.16 -6.96 -4.32 -2.24 7.64 -0.10 -4.66 113.62 103.14 2kjz n SER 112 Ca 0.18 0.56 -0.17 0.00 1.01 0.00 0.00 58.87 60.45 2kjz n SER 112 Cb 0.32 -4.65 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 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 -2.19 1.52 -0.47 1.43 3.76 -1.26 -1.95 115.29 116.13 2kjz s HIS 113 Ca 0.18 -0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 53.98 2kjz s HIS 113 Cb -0.05 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.82 2kjz s HIS 113 CO 0.64 -0.06 0.49 1.03 -0.85 0.00 0.00 174.74 176.00 2kjz s ARG 114 N -3.87 3.06 -0.43 1.40 0.52 -1.26 -3.87 118.95 114.50 2kjz s ARG 114 Ca 0.28 -1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 2kjz s ARG 114 Cb 0.06 -4.08 0.10 0.00 0.52 0.00 0.00 34.95 31.54 2kjz s ARG 114 CO 0.08 -1.06 0.27 -0.51 0.02 0.00 0.00 175.30 174.10 2kjz s LEU 115 N 2.14 5.30 0.22 2.53 1.02 -0.62 -1.62 118.68 127.65 2kjz s LEU 115 Ca 0.10 -1.71 -0.12 0.00 0.02 0.00 0.00 54.13 52.42 2kjz s LEU 115 Cb -0.21 -1.96 -0.07 0.00 0.02 0.00 0.00 46.19 43.97 2kjz s LEU 115 CO 0.10 -0.58 0.59 -0.13 0.02 0.00 0.00 176.35 176.35 2kjz s ARG 116 N 1.35 3.90 -0.04 1.70 0.52 0.53 -0.70 118.95 126.21 2kjz s ARG 116 Ca 0.04 0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 2kjz s ARG 116 Cb -0.24 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.57 2kjz s ARG 116 CO 0.00 0.33 0.00 0.08 0.02 0.00 0.00 175.30 175.73 2kjz s VAL 117 N -1.75 0.21 0.26 3.52 1.01 -0.66 -0.75 120.40 122.25 2kjz s VAL 117 Ca 0.46 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.57 2kjz s VAL 117 Cb -0.12 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2kjz s VAL 117 CO 0.20 0.17 0.03 -0.72 0.00 0.00 0.00 175.10 174.78 2kjz s TYR 118 N 1.20 1.68 -0.11 5.22 1.13 -1.05 -1.75 117.35 123.67 2kjz s TYR 118 Ca -0.07 -0.97 -0.02 0.00 -1.41 0.00 0.00 57.07 54.59 2kjz s TYR 118 Cb -0.13 -1.01 0.04 0.00 -1.10 0.00 0.00 41.96 39.75 2kjz s TYR 118 CO -0.02 -0.07 0.03 0.00 -2.51 0.00 0.00 175.55 172.98 2kjz s ALA 119 N -3.44 0.66 -0.29 9.51 0.00 0.11 -3.02 121.76 125.29 2kjz s ALA 119 Ca 0.32 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2kjz s ALA 119 Cb 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.32 2kjz s ALA 119 CO 0.12 -0.76 1.08 0.12 0.00 0.00 0.00 175.76 176.31 2kjz s PHE 120 N 2.00 3.18 -0.67 0.00 5.36 -1.26 -0.87 117.98 125.72 2kjz s PHE 120 Ca 0.03 1.25 -0.26 0.00 -0.96 0.00 0.00 56.93 56.99 2kjz s PHE 120 Cb -0.14 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 38.95 2kjz s PHE 120 CO -0.06 -0.74 1.71 0.00 -1.46 0.00 0.00 175.22 174.67 2kjz s ALA 121 N 3.55 2.29 0.00 11.12 0.00 -1.26 -4.97 121.76 132.50 2kjz s ALA 121 Ca 0.46 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kjz s ALA 121 Cb -0.13 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2kjz s ALA 121 CO 0.13 -3.80 0.00 0.41 0.00 0.00 0.00 175.76 172.50