#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 0.32 -0.39 3.17 2.01 -1.26 -5.14 115.64 114.35 2kjz s THR 2 Ca 0.00 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2kjz s THR 2 Cb 0.00 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.23 2kjz s THR 2 CO 0.00 0.10 0.40 -1.00 -0.69 0.00 0.00 174.62 173.43 2kjz s HIS 3 N 0.04 3.19 -1.14 4.92 0.09 -1.26 -5.03 115.29 116.10 2kjz s HIS 3 Ca 0.00 -0.24 -0.17 0.00 -0.00 0.00 0.00 55.06 54.65 2kjz s HIS 3 Cb -0.03 -2.79 0.13 0.00 -0.00 0.00 0.00 32.58 29.89 2kjz s HIS 3 CO -0.00 -0.59 1.42 -1.25 -0.00 0.00 0.00 174.74 174.32 2kjz s PRO 4 N 2.07 3.91 0.00 8.40 0.04 -1.26 -4.78 135.00 143.38 2kjz s PRO 4 Ca 0.12 -2.15 0.18 0.00 0.04 0.00 0.00 61.00 59.19 2kjz s PRO 4 Cb -0.17 -5.14 0.88 0.00 0.04 0.00 0.00 34.50 30.11 2kjz s PRO 4 CO 0.13 -1.90 1.60 -0.40 0.04 0.00 0.00 177.00 176.46 2kjz n ASP 5 N 6.65 0.77 -4.12 6.66 5.75 -1.26 -4.84 116.55 126.17 2kjz n ASP 5 Ca 0.36 -1.59 -0.30 0.00 -0.01 0.00 0.00 54.79 53.25 2kjz n ASP 5 Cb 0.46 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.90 2.18 -0.04 2.11 5.36 -1.26 -1.34 117.98 123.10 2kjz s PHE 6 Ca 0.28 -0.98 0.04 0.00 -0.96 0.00 0.00 56.93 55.32 2kjz s PHE 6 Cb 0.14 -1.52 -0.00 0.00 -0.34 0.00 0.00 43.02 41.30 2kjz s PHE 6 CO 0.22 -0.46 -0.17 -0.08 -1.46 0.00 0.00 175.22 173.28 2kjz s THR 7 N 0.72 1.40 -0.05 0.12 -1.32 -0.63 -5.00 115.64 110.89 2kjz s THR 7 Ca -0.11 -0.71 0.06 0.00 -1.21 0.00 0.00 61.69 59.72 2kjz s THR 7 Cb -0.16 -1.20 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 2kjz s THR 7 CO 0.02 0.40 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.96 2kjz s ILE 8 N -0.02 2.14 -0.08 5.08 1.01 -1.26 -0.73 121.20 127.35 2kjz s ILE 8 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 2kjz s ILE 8 Cb -0.11 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2kjz s ILE 8 CO 0.02 0.57 -0.01 -0.76 0.00 0.00 0.00 174.94 174.76 2kjz s LEU 9 N -0.31 3.52 -0.04 2.97 1.02 -1.07 -4.95 118.68 119.83 2kjz s LEU 9 Ca 0.01 0.11 -0.24 0.00 0.02 0.00 0.00 54.13 54.02 2kjz s LEU 9 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 2kjz s LEU 9 CO 0.02 0.37 0.75 -0.72 0.02 0.00 0.00 176.35 176.79 2kjz s TYR 10 N -0.89 3.62 0.09 0.29 1.13 -1.26 -1.48 117.35 118.86 2kjz s TYR 10 Ca 0.14 1.35 0.06 0.00 -1.41 0.00 0.00 57.07 57.20 2kjz s TYR 10 Cb -0.11 -2.84 -0.03 0.00 -1.10 0.00 0.00 41.96 37.87 2kjz s TYR 10 CO 0.03 0.11 -0.16 0.14 -2.51 0.00 0.00 175.55 173.16 2kjz s VAL 11 N 0.65 1.32 -0.16 -3.49 -7.23 -0.40 -4.86 120.40 106.23 2kjz s VAL 11 Ca 0.39 -1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 58.96 2kjz s VAL 11 Cb -0.19 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.35 2kjz s VAL 11 CO 0.20 -0.23 0.03 -0.78 -0.31 0.00 0.00 175.10 174.01 2kjz h ASP 12 N 4.05 0.00 -3.45 4.85 3.58 -1.89 -0.38 116.42 123.18 2kjz h ASP 12 Ca -0.42 -0.24 -0.74 0.00 0.42 0.00 0.00 57.03 56.06 2kjz h ASP 12 Cb 1.19 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.95 2kjz h ASP 12 CO 0.42 1.02 -0.29 0.21 -2.88 0.00 0.00 179.24 177.72 2kjz s ASN 13 N -6.15 5.88 0.14 2.28 3.84 -1.26 -4.83 114.94 114.83 2kjz s ASN 13 Ca -0.19 -2.13 -0.25 0.00 0.21 0.00 0.00 52.86 50.50 2kjz s ASN 13 Cb 0.03 -2.05 -0.01 0.00 -0.55 0.00 0.00 41.25 38.67 2kjz s ASN 13 CO 0.36 -0.66 1.61 -0.65 -2.79 0.00 0.00 177.10 174.97 2kjz h PRO 14 N 8.24 -0.34 -0.35 0.43 0.11 -1.90 -2.75 132.00 135.44 2kjz h PRO 14 Ca -0.15 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.05 2kjz h PRO 14 Cb 1.06 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 2kjz h PRO 14 CO 0.85 -0.23 -0.32 -1.35 -0.21 0.00 0.00 178.00 176.74 2kjz h PRO 15 N -0.36 -0.27 -0.05 1.05 0.11 -1.96 -1.25 132.00 129.29 2kjz h PRO 15 Ca 0.11 0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.00 2kjz h PRO 15 Cb 0.53 0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.71 2kjz h PRO 15 CO -0.37 -0.18 -0.91 0.00 -0.21 0.00 0.00 178.00 176.33 2kjz h ALA 16 N 0.70 0.29 0.05 -0.75 0.00 -2.00 -2.80 119.26 114.76 2kjz h ALA 16 Ca 0.16 -0.67 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2kjz h ALA 16 Cb 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kjz h ALA 16 CO -0.50 0.73 -1.05 0.66 0.00 0.00 0.00 179.25 179.09 2kjz h SER 17 N 0.37 0.40 -0.33 0.00 4.64 -1.41 -2.37 113.55 114.85 2kjz h SER 17 Ca -0.09 -0.37 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 2kjz h SER 17 Cb 1.55 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2kjz h SER 17 CO 0.17 1.21 -0.10 0.74 -0.87 0.00 0.00 176.83 177.99 2kjz h THR 18 N 0.13 1.28 -0.41 2.95 2.02 -1.25 -2.51 112.91 115.12 2kjz h THR 18 Ca -0.09 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 2kjz h THR 18 Cb 1.72 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2kjz h THR 18 CO 0.17 0.38 0.15 1.56 0.37 0.00 0.00 175.52 178.15 2kjz h GLN 19 N 0.43 0.59 -0.42 6.66 1.08 -1.55 -1.98 115.11 119.91 2kjz h GLN 19 Ca 0.08 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2kjz h GLN 19 Cb 0.60 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2kjz h GLN 19 CO 0.04 0.50 0.15 0.35 -0.95 0.00 0.00 178.83 178.92 2kjz h PHE 20 N 0.59 0.67 -0.02 2.96 3.57 -1.12 -2.62 116.94 120.97 2kjz h PHE 20 Ca 0.14 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2kjz h PHE 20 Cb 0.14 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2kjz h PHE 20 CO 0.01 0.60 -0.54 1.88 -2.23 0.00 0.00 178.31 178.03 2kjz h TYR 21 N 0.54 0.06 -0.16 0.41 -1.99 -1.21 -1.63 116.97 112.99 2kjz h TYR 21 Ca 0.14 -0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.88 2kjz h TYR 21 Cb 0.23 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 2kjz h TYR 21 CO 0.01 0.58 -0.05 0.87 -0.00 0.00 0.00 178.16 179.56 2kjz h LYS 22 N 0.04 -0.02 0.05 4.88 1.57 -0.99 -1.64 116.57 120.46 2kjz h LYS 22 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2kjz h LYS 22 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2kjz h LYS 22 CO 0.07 -0.01 -1.03 0.00 -0.57 0.00 0.00 179.45 177.91 2kjz h ALA 23 N 1.14 0.32 -0.07 3.86 0.00 -1.54 -0.54 119.26 122.43 2kjz h ALA 23 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2kjz h ALA 23 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kjz h ALA 23 CO -0.18 0.93 0.04 1.25 0.00 0.00 0.00 179.25 181.30 2kjz h LEU 24 N 0.12 0.08 0.18 0.00 5.85 -1.10 -3.14 115.31 117.31 2kjz h LEU 24 Ca -0.08 -0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.28 2kjz h LEU 24 Cb 1.71 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.73 2kjz h LEU 24 CO 0.17 0.09 -1.59 -0.07 -0.34 0.00 0.00 178.44 176.69 2kjz h LEU 25 N 0.07 0.61 -0.09 2.25 3.38 -1.46 -3.49 115.31 116.58 2kjz h LEU 25 Ca 0.03 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2kjz h LEU 25 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kjz h LEU 25 CO -0.00 1.73 0.00 0.61 0.09 0.00 0.00 178.44 180.86 2kjz n GLY 26 N 1.81 1.38 3.13 0.83 0.00 -0.60 -5.11 105.19 106.63 2kjz n GLY 26 Ca -0.23 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 2kjz n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kjz n VAL 27 N -1.29 0.00 -4.35 1.61 0.24 -0.31 -5.00 118.33 109.22 2kjz n VAL 27 Ca 0.00 -2.19 -0.19 0.00 -2.04 0.00 0.00 64.34 59.93 2kjz n VAL 27 Cb 0.12 0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 33.07 2kjz n VAL 27 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2kjz s ASP 28 N -3.35 1.21 -0.30 -1.34 -4.77 -1.26 -4.47 116.67 102.39 2kjz s ASP 28 Ca 0.15 -0.28 -0.28 0.00 -3.30 0.00 0.00 52.55 48.84 2kjz s ASP 28 Cb 0.01 -0.10 -0.02 0.00 -1.09 0.00 0.00 42.92 41.71 2kjz s ASP 28 CO 0.11 0.06 1.82 -2.84 0.70 0.00 0.00 175.17 175.02 2kjz s PRO 29 N -0.57 3.38 0.22 2.11 0.02 -1.26 -4.70 135.00 134.19 2kjz s PRO 29 Ca 0.02 1.52 -0.07 0.00 0.02 0.00 0.00 61.00 62.49 2kjz s PRO 29 Cb -0.05 -4.19 0.17 0.00 0.02 0.00 0.00 34.50 30.44 2kjz s PRO 29 CO 0.00 -1.80 1.76 -0.24 -0.33 0.00 0.00 177.00 176.39 2kjz h VAL 30 N 6.76 1.26 -3.71 3.83 3.04 -1.36 -3.37 116.25 122.70 2kjz h VAL 30 Ca -0.35 -0.88 -0.69 0.00 -1.01 0.00 0.00 66.70 63.78 2kjz h VAL 30 Cb 1.17 0.41 -0.32 0.00 -2.01 0.00 0.00 31.29 30.54 2kjz h VAL 30 CO 1.02 0.35 -0.66 -1.61 -1.01 0.00 0.00 177.57 175.66 2kjz s GLU 31 N -5.44 2.44 -0.02 4.17 0.41 -0.97 -5.04 118.70 114.26 2kjz s GLU 31 Ca -0.12 -1.30 0.04 0.00 -0.41 0.00 0.00 54.97 53.19 2kjz s GLU 31 Cb 0.15 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2kjz s GLU 31 CO 0.84 -0.68 -0.13 -1.54 -0.49 0.00 0.00 175.26 173.26 2kjz s SER 32 N 1.36 4.12 0.09 -0.19 1.04 -1.26 -0.41 113.70 118.45 2kjz s SER 32 Ca -0.03 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 2kjz s SER 32 Cb -0.20 -0.85 -0.03 0.00 0.10 0.00 0.00 66.02 65.05 2kjz s SER 32 CO -0.00 0.31 0.08 -0.44 0.98 0.00 0.00 173.24 174.17 2kjz s SER 33 N -1.06 0.30 0.48 7.02 0.01 -0.05 -4.99 113.70 115.42 2kjz s SER 33 Ca 0.14 -0.92 0.14 0.00 1.31 0.00 0.00 55.95 56.62 2kjz s SER 33 Cb -0.11 0.28 1.13 0.00 0.21 0.00 0.00 66.02 67.54 2kjz s SER 33 CO 0.03 -0.69 2.09 1.55 0.41 0.00 0.00 173.24 176.63 2kjz h PRO 34 N 2.92 0.08 0.00 12.44 0.13 -2.03 -3.16 132.00 142.38 2kjz h PRO 34 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kjz h PRO 34 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kjz h PRO 34 CO 0.60 0.11 -0.19 -2.37 -0.23 0.00 0.00 178.00 175.92 2kjz n THR 35 N -4.47 1.14 -3.48 1.56 5.66 -1.26 -4.88 114.28 108.56 2kjz n THR 35 Ca -0.02 -1.36 -0.14 0.00 -3.05 0.00 0.00 64.05 59.48 2kjz n THR 35 Cb 0.13 0.07 -0.04 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.72 -0.53 0.00 1.09 5.36 -1.20 -2.63 117.98 118.35 2kjz s PHE 36 Ca 0.19 0.51 -0.10 0.00 -0.96 0.00 0.00 56.93 56.57 2kjz s PHE 36 Cb 0.17 0.48 0.01 0.00 -0.34 0.00 0.00 43.02 43.33 2kjz s PHE 36 CO 0.02 -0.76 0.20 -1.12 -1.46 0.00 0.00 175.22 172.10 2kjz s SER 37 N -2.27 -0.04 -0.13 6.13 0.01 0.17 -0.87 113.70 116.70 2kjz s SER 37 Ca -0.03 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2kjz s SER 37 Cb -0.01 0.25 0.06 0.00 0.21 0.00 0.00 66.02 66.54 2kjz s SER 37 CO -0.06 -0.42 0.20 -0.22 0.41 0.00 0.00 173.24 173.16 2kjz s LEU 38 N -1.45 -0.14 -0.10 2.44 1.98 0.46 -0.67 118.68 121.21 2kjz s LEU 38 Ca -0.13 0.23 0.01 0.00 -2.89 0.00 0.00 54.13 51.34 2kjz s LEU 38 Cb -0.06 0.41 0.02 0.00 0.66 0.00 0.00 46.19 47.21 2kjz s LEU 38 CO 0.02 -0.27 -0.09 0.72 -1.89 0.00 0.00 176.35 174.84 2kjz s PHE 39 N 2.33 1.49 -0.13 5.38 -0.12 -0.60 -0.81 117.98 125.52 2kjz s PHE 39 Ca 0.04 -0.68 -0.04 0.00 -0.05 0.00 0.00 56.93 56.20 2kjz s PHE 39 Cb -0.13 -1.18 -0.03 0.00 -0.63 0.00 0.00 43.02 41.04 2kjz s PHE 39 CO -0.08 -0.43 -0.01 0.08 -0.05 0.00 0.00 175.22 174.73 2kjz s VAL 40 N 1.32 4.21 0.11 -2.49 1.01 -1.26 -2.05 120.40 121.24 2kjz s VAL 40 Ca -0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2kjz s VAL 40 Cb -0.14 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 2kjz s VAL 40 CO -0.04 0.53 0.38 -0.76 0.00 0.00 0.00 175.10 175.21 2kjz s LEU 41 N -0.11 4.31 0.13 3.92 1.43 -0.93 -4.98 118.68 122.45 2kjz s LEU 41 Ca 0.04 0.68 0.15 0.00 -1.03 0.00 0.00 54.13 53.97 2kjz s LEU 41 Cb -0.13 -3.13 0.69 0.00 0.03 0.00 0.00 46.19 43.66 2kjz s LEU 41 CO 0.02 0.12 1.47 0.00 0.23 0.00 0.00 176.35 178.19 2kjz n ALA 42 N 0.51 1.40 0.40 4.21 0.00 -1.26 -2.29 120.51 123.47 2kjz n ALA 42 Ca -0.05 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2kjz n ALA 42 Cb 0.52 -1.24 0.23 0.00 0.00 0.00 0.00 19.45 18.96 2kjz n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kjz n ASN 43 N -1.85 0.00 0.00 0.00 4.13 -1.26 -4.85 115.26 111.42 2kjz n ASN 43 Ca 0.01 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.65 2kjz n ASN 43 Cb 0.12 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 2kjz n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kjz n GLY 44 N -0.44 0.75 3.73 7.41 0.00 -0.97 -5.08 105.19 110.59 2kjz n GLY 44 Ca 0.03 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.76 2.19 -0.03 1.61 0.23 -1.24 -5.04 119.30 116.26 2kjz s MET 45 Ca 0.00 -1.92 0.02 0.00 -1.03 0.00 0.00 55.69 52.76 2kjz s MET 45 Cb 0.00 -1.92 0.01 0.00 -1.53 0.00 0.00 34.83 31.39 2kjz s MET 45 CO 0.00 -0.14 -0.07 0.21 -2.03 0.00 0.00 175.02 172.99 2kjz s LYS 46 N -3.89 0.83 -0.14 3.16 2.20 -0.45 -2.19 119.74 119.26 2kjz s LYS 46 Ca 0.38 -0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2kjz s LYS 46 Cb 0.04 -0.80 0.03 0.00 -1.51 0.00 0.00 37.83 35.60 2kjz s LYS 46 CO 0.21 0.04 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.99 2kjz s LEU 47 N 0.41 1.46 0.44 5.43 0.20 -0.87 -1.60 118.68 124.14 2kjz s LEU 47 Ca -0.06 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.32 2kjz s LEU 47 Cb -0.10 -0.94 0.01 0.00 -0.43 0.00 0.00 46.19 44.73 2kjz s LEU 47 CO 0.00 -0.13 0.62 -0.83 -0.29 0.00 0.00 176.35 175.73 2kjz s GLY 48 N 1.63 1.69 -0.27 7.98 0.00 0.09 -1.56 107.32 116.89 2kjz s GLY 48 Ca 0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 2kjz s GLY 48 CO -0.08 -1.15 0.21 -2.27 0.00 0.00 0.00 173.10 169.80 2kjz s LEU 49 N -4.46 0.12 -0.14 0.66 2.96 0.15 -2.58 118.68 115.38 2kjz s LEU 49 Ca 0.50 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2kjz s LEU 49 Cb -0.10 0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.68 2kjz s LEU 49 CO 0.35 -0.40 -0.07 0.86 -1.32 0.00 0.00 176.35 175.77 2kjz s TRP 50 N 2.24 2.94 0.07 5.38 -0.11 -0.55 -0.65 118.94 128.27 2kjz s TRP 50 Ca 0.08 -0.41 -0.31 0.00 1.22 0.00 0.00 56.10 56.69 2kjz s TRP 50 Cb -0.15 -1.91 -0.07 0.00 -1.50 0.00 0.00 33.47 29.84 2kjz s TRP 50 CO -0.30 -0.08 1.47 -1.12 -4.62 0.00 0.00 176.95 172.30 2kjz s SER 51 N 0.30 6.77 0.16 5.86 0.01 -1.08 -1.28 113.70 124.44 2kjz s SER 51 Ca -0.06 2.31 0.20 0.00 1.31 0.00 0.00 55.95 59.71 2kjz s SER 51 Cb -0.15 -2.57 0.83 0.00 0.21 0.00 0.00 66.02 64.34 2kjz s SER 51 CO 0.04 -0.74 1.60 -2.11 0.41 0.00 0.00 173.24 172.44 2kjz n ARG 52 N 4.80 0.11 0.13 12.44 1.85 -0.15 -1.74 116.66 134.10 2kjz n ARG 52 Ca 0.13 0.37 0.13 0.00 -1.00 0.00 0.00 57.85 57.48 2kjz n ARG 52 Cb 0.42 -1.73 0.40 0.00 -1.05 0.00 0.00 32.46 30.51 2kjz n ARG 52 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 2kjz h HIS 53 N 0.00 0.00 0.00 2.89 2.07 -1.91 -3.28 115.15 114.92 2kjz h HIS 53 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kjz h HIS 53 Cb 0.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.28 2kjz h HIS 53 CO 0.00 0.00 -0.01 -2.37 -3.07 0.00 0.00 177.93 172.48 2kjz n THR 54 N -2.37 0.62 -2.27 6.12 5.66 -0.71 -5.05 114.28 116.27 2kjz n THR 54 Ca 0.05 -0.63 -0.35 0.00 -3.05 0.00 0.00 64.05 60.07 2kjz n THR 54 Cb 0.40 0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.64 3.19 -0.09 1.08 0.11 -0.79 -4.97 120.40 118.29 2kjz s VAL 55 Ca 0.01 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 2kjz s VAL 55 Cb 0.01 -3.30 0.02 0.00 -1.53 0.00 0.00 36.38 31.58 2kjz s VAL 55 CO 0.00 -0.16 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.94 2kjz s GLU 56 N -3.28 1.27 0.22 1.54 0.41 -1.26 -1.76 118.70 115.83 2kjz s GLU 56 Ca 0.73 -0.18 -0.30 0.00 -0.41 0.00 0.00 54.97 54.80 2kjz s GLU 56 Cb -0.24 -1.32 -0.09 0.00 -1.78 0.00 0.00 34.13 30.71 2kjz s GLU 56 CO 0.27 -0.20 1.17 -1.25 -0.49 0.00 0.00 175.26 174.76 2kjz s PRO 57 N 1.47 4.53 -0.38 0.39 0.04 -1.26 -5.04 135.00 134.75 2kjz s PRO 57 Ca -0.01 1.87 -0.37 0.00 0.04 0.00 0.00 61.00 62.53 2kjz s PRO 57 Cb -0.13 -3.22 -0.13 0.00 0.04 0.00 0.00 34.50 31.05 2kjz s PRO 57 CO -0.04 -0.01 2.16 1.17 0.04 0.00 0.00 177.00 180.32 2kjz n LYS 58 N 2.07 0.82 -3.47 4.56 0.00 -0.72 -4.93 118.16 116.49 2kjz n LYS 58 Ca 0.03 0.23 -0.43 0.00 0.00 0.00 0.00 58.31 58.13 2kjz n LYS 58 Cb 0.45 -2.22 -0.10 0.00 0.00 0.00 0.00 35.03 33.15 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 6.89 3.46 -1.10 3.14 0.00 -1.26 -5.03 121.76 127.86 2kjz s ALA 59 Ca 1.12 -1.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 2kjz s ALA 59 Cb -1.02 -2.86 0.09 0.00 0.00 0.00 0.00 23.12 19.34 2kjz s ALA 59 CO 0.54 -1.46 1.45 -1.54 0.00 0.00 0.00 175.76 174.75 2kjz s SER 60 N 1.68 6.70 0.01 0.00 1.04 -1.26 -4.93 113.70 116.94 2kjz s SER 60 Ca 0.05 -2.08 -0.16 0.00 0.48 0.00 0.00 55.95 54.24 2kjz s SER 60 Cb -0.19 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.45 2kjz s SER 60 CO 0.10 -1.21 0.34 0.68 0.98 0.00 0.00 173.24 174.13 2kjz s VAL 61 N 3.76 0.06 -0.14 5.02 -7.23 -1.26 -5.18 120.40 115.42 2kjz s VAL 61 Ca 0.45 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 2kjz s VAL 61 Cb -0.00 -0.77 0.10 0.00 0.56 0.00 0.00 36.38 36.27 2kjz s VAL 61 CO -0.04 -0.28 0.86 0.42 -0.31 0.00 0.00 175.10 175.75 2kjz s THR 62 N -1.79 0.00 0.00 5.32 -4.23 -1.26 -4.99 115.64 108.69 2kjz s THR 62 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2kjz s THR 62 Cb -0.03 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.81 2kjz s THR 62 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2kjz n GLY 63 N 1.15 1.79 3.62 3.99 0.00 -0.35 -4.97 105.19 110.41 2kjz n GLY 63 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.93 -0.68 0.00 -0.02 0.00 -1.26 -4.91 107.32 98.52 2kjz s GLY 64 Ca 0.00 2.30 0.00 0.00 0.00 0.00 0.00 44.72 47.02 2kjz s GLY 64 CO 0.00 2.83 0.00 0.61 0.00 0.00 0.00 173.10 176.54 2kjz n GLY 65 N 5.12 3.16 1.20 0.20 0.00 -1.26 -5.01 105.19 108.59 2kjz n GLY 65 Ca -0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.23 3.84 -0.02 0.00 -1.26 -4.80 105.19 99.73 2kjz n GLY 66 Ca 0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.78 3.69 -0.46 1.61 0.41 -1.26 -4.46 118.70 116.43 2kjz s GLU 67 Ca -0.00 -0.00 -0.05 0.00 -0.41 0.00 0.00 54.97 54.50 2kjz s GLU 67 Cb 0.00 -3.24 0.12 0.00 -1.78 0.00 0.00 34.13 29.23 2kjz s GLU 67 CO 0.00 0.67 0.29 -1.17 -0.49 0.00 0.00 175.26 174.56 2kjz s LEU 68 N -0.77 5.43 -0.39 1.80 1.98 -0.11 -4.90 118.68 121.71 2kjz s LEU 68 Ca 0.16 -2.10 -0.23 0.00 -2.89 0.00 0.00 54.13 49.08 2kjz s LEU 68 Cb -0.13 -1.90 0.01 0.00 0.66 0.00 0.00 46.19 44.83 2kjz s LEU 68 CO 0.05 -0.58 0.77 0.00 -1.89 0.00 0.00 176.35 174.71 2kjz s ALA 69 N 1.06 3.39 -0.42 5.97 0.00 -1.26 -0.64 121.76 129.87 2kjz s ALA 69 Ca 0.09 -0.77 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2kjz s ALA 69 Cb -0.23 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2kjz s ALA 69 CO -0.03 -1.60 0.71 -0.06 0.00 0.00 0.00 175.76 174.78 2kjz s PHE 70 N 3.12 3.06 -0.18 0.00 0.40 0.24 -4.95 117.98 119.67 2kjz s PHE 70 Ca 0.30 0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.64 2kjz s PHE 70 Cb -0.13 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 2kjz s PHE 70 CO 0.18 -0.85 0.45 1.03 0.70 0.00 0.00 175.22 176.74 2kjz s ARG 71 N 3.01 4.22 0.27 0.44 0.52 -1.26 -2.59 118.95 123.56 2kjz s ARG 71 Ca 0.27 0.32 0.09 0.00 -0.52 0.00 0.00 55.73 55.89 2kjz s ARG 71 Cb -0.13 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2kjz s ARG 71 CO 0.19 -0.01 -0.12 0.14 0.02 0.00 0.00 175.30 175.52 2kjz s VAL 72 N 1.21 1.96 0.26 3.52 -7.23 -1.25 -5.05 120.40 113.82 2kjz s VAL 72 Ca 0.22 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2kjz s VAL 72 Cb -0.15 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.49 2kjz s VAL 72 CO 0.09 -0.38 1.69 1.05 -0.31 0.00 0.00 175.10 177.24 2kjz h GLU 73 N 2.30 0.53 -2.81 4.82 4.11 -1.96 -3.44 114.58 118.13 2kjz h GLU 73 Ca -0.40 -0.21 0.05 0.00 0.07 0.00 0.00 59.36 58.87 2kjz h GLU 73 Cb 1.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kjz h GLU 73 CO 0.65 0.76 0.41 0.54 0.07 0.00 0.00 179.01 181.44 2kjz s ASN 74 N -6.81 0.03 0.49 3.06 2.20 -1.26 -4.88 114.94 107.77 2kjz s ASN 74 Ca -0.07 -0.98 0.16 0.00 -0.94 0.00 0.00 52.86 51.03 2kjz s ASN 74 Cb 0.13 0.71 1.20 0.00 -2.00 0.00 0.00 41.25 41.29 2kjz s ASN 74 CO 0.80 -1.41 2.09 -2.24 -2.94 0.00 0.00 177.10 173.40 2kjz h ASP 75 N 2.00 0.00 -0.26 3.54 2.03 -1.92 -1.93 116.42 119.87 2kjz h ASP 75 Ca -0.31 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.90 2kjz h ASP 75 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 2kjz h ASP 75 CO 0.40 0.08 -0.18 0.00 -1.03 0.00 0.00 179.24 178.51 2kjz h ALA 76 N 1.92 0.37 0.00 4.15 0.00 -2.00 -3.01 119.26 120.70 2kjz h ALA 76 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kjz h ALA 76 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kjz h ALA 76 CO 0.01 0.29 -0.06 1.96 0.00 0.00 0.00 179.25 181.46 2kjz h GLN 77 N 0.31 0.00 -0.54 0.00 1.08 -1.78 -0.62 115.11 113.56 2kjz h GLN 77 Ca 0.05 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 2kjz h GLN 77 Cb 0.72 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 2kjz h GLN 77 CO 0.05 0.06 0.04 0.28 -0.95 0.00 0.00 178.83 178.31 2kjz h VAL 78 N 0.00 1.26 0.00 -0.54 2.07 -1.43 -1.80 116.25 115.82 2kjz h VAL 78 Ca -0.00 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.32 2kjz h VAL 78 Cb 0.24 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2kjz h VAL 78 CO 0.01 0.38 -0.72 -0.78 0.02 0.00 0.00 177.57 176.48 2kjz h ASP 79 N 0.81 0.00 -0.51 0.57 3.58 -1.21 -0.67 116.42 118.99 2kjz h ASP 79 Ca 0.16 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 2kjz h ASP 79 Cb 0.48 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2kjz h ASP 79 CO 0.02 0.72 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.73 2kjz h GLU 80 N 0.00 0.93 -0.56 0.28 5.08 -1.14 -2.00 114.58 117.16 2kjz h GLU 80 Ca -0.01 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 2kjz h GLU 80 Cb 1.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2kjz h GLU 80 CO 0.09 0.97 0.09 1.15 -1.00 0.00 0.00 179.01 180.30 2kjz h THR 81 N 0.79 1.24 0.58 1.13 2.02 -1.25 -2.27 112.91 115.17 2kjz h THR 81 Ca 0.14 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2kjz h THR 81 Cb 0.57 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2kjz h THR 81 CO 0.03 0.35 -0.48 0.15 0.37 0.00 0.00 175.52 175.94 2kjz h PHE 82 N 0.86 -1.32 -0.36 3.16 3.04 -0.83 -2.20 116.94 119.28 2kjz h PHE 82 Ca 0.18 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.03 2kjz h PHE 82 Cb 0.39 0.50 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 2kjz h PHE 82 CO 0.02 -0.67 -0.17 0.00 -2.02 0.00 0.00 178.31 175.47 2kjz h ALA 83 N -1.04 1.03 -0.17 2.41 0.00 -1.40 -0.97 119.26 119.12 2kjz h ALA 83 Ca -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kjz h ALA 83 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kjz h ALA 83 CO -0.00 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.68 2kjz h GLY 84 N 0.98 0.28 1.20 0.00 0.00 -1.41 -0.69 103.07 103.42 2kjz h GLY 84 Ca 0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2kjz h GLY 84 CO 0.04 0.14 0.01 1.49 0.00 0.00 0.00 176.54 178.22 2kjz h TRP 85 N 0.12 1.04 -0.67 5.60 4.06 -1.26 -2.03 115.95 122.82 2kjz h TRP 85 Ca 0.06 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 2kjz h TRP 85 Cb 0.18 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 2kjz h TRP 85 CO -0.01 0.93 0.37 -0.22 -3.56 0.00 0.00 178.44 175.94 2kjz h LYS 86 N 0.89 0.94 0.00 0.49 3.64 -1.07 0.53 116.57 121.99 2kjz h LYS 86 Ca 0.16 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2kjz h LYS 86 Cb 0.51 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kjz h LYS 86 CO 0.03 0.71 -0.24 0.00 -2.27 0.00 0.00 179.45 177.68 2kjz h ALA 87 N 1.18 1.24 -0.53 5.00 0.00 -0.95 -2.83 119.26 122.36 2kjz h ALA 87 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kjz h ALA 87 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kjz h ALA 87 CO -0.04 0.30 0.00 0.45 0.00 0.00 0.00 179.25 179.96 2kjz n SER 88 N -3.72 3.62 -1.10 0.00 2.88 -0.75 -5.00 113.62 109.55 2kjz n SER 88 Ca -0.01 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2kjz n SER 88 Cb 0.35 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.49 0.80 3.77 0.46 0.00 0.10 -5.02 105.19 106.79 2kjz n GLY 89 Ca 0.21 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.75 4.64 0.13 1.61 0.11 -0.81 -4.51 120.40 118.82 2kjz s VAL 90 Ca 0.00 -0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 58.46 2kjz s VAL 90 Cb 0.00 -3.14 -0.11 0.00 -1.53 0.00 0.00 36.38 31.60 2kjz s VAL 90 CO 0.00 0.31 1.38 0.00 -3.33 0.00 0.00 175.10 173.46 2kjz h ALA 91 N 3.98 0.44 -5.98 1.54 0.00 -1.03 -3.44 119.26 114.77 2kjz h ALA 91 Ca -0.49 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 53.65 2kjz h ALA 91 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kjz h ALA 91 CO 0.62 0.69 -0.90 0.00 0.00 0.00 0.00 179.25 179.67 2kjz n MET 92 N -3.96 -2.13 -3.60 0.00 3.85 -0.57 -4.89 117.12 105.82 2kjz n MET 92 Ca -0.05 1.74 -0.38 0.00 -1.00 0.00 0.00 57.70 58.01 2kjz n MET 92 Cb 0.68 -3.68 -0.06 0.00 -1.05 0.00 0.00 33.22 29.11 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 -2.50 5.65 0.00 3.17 -0.00 -1.26 -4.90 118.68 118.84 2kjz s LEU 93 Ca 0.32 -3.46 0.00 0.00 -0.00 0.00 0.00 54.13 50.99 2kjz s LEU 93 Cb -0.05 -1.95 0.00 0.00 -0.00 0.00 0.00 46.19 44.19 2kjz s LEU 93 CO 0.82 -0.26 0.00 1.67 -0.00 0.00 0.00 176.35 178.58 2kjz n GLN 94 N 2.73 0.00 -2.46 1.48 -0.06 -1.26 -4.90 117.38 112.90 2kjz n GLN 94 Ca 0.18 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.76 2kjz n GLN 94 Cb 0.38 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.53 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 4.39 -0.62 3.69 -0.21 -1.26 -4.56 119.66 121.09 2kjz s GLN 95 Ca 0.00 1.68 -0.26 0.00 0.02 0.00 0.00 55.36 56.80 2kjz s GLN 95 Cb 0.00 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2kjz s GLN 95 CO 0.00 -0.37 2.02 -1.25 -2.12 0.00 0.00 175.29 173.57 2kjz s PRO 96 N 1.82 2.45 0.08 2.91 0.04 -1.26 -4.68 135.00 136.36 2kjz s PRO 96 Ca 0.56 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 2kjz s PRO 96 Cb -0.26 -4.52 -0.02 0.00 0.04 0.00 0.00 34.50 29.74 2kjz s PRO 96 CO 0.24 -3.01 0.09 0.00 0.04 0.00 0.00 177.00 174.36 2kjz s ALA 97 N 10.18 0.20 0.36 8.56 0.00 -0.71 -4.95 121.76 135.39 2kjz s ALA 97 Ca 0.76 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2kjz s ALA 97 Cb -0.13 0.44 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 2kjz s ALA 97 CO 0.19 -0.45 1.22 0.15 0.00 0.00 0.00 175.76 176.87 2kjz s LYS 98 N -3.91 4.25 0.23 0.00 -0.14 -1.26 -1.01 119.74 117.90 2kjz s LYS 98 Ca 0.08 2.00 0.01 0.00 -1.36 0.00 0.00 55.97 56.70 2kjz s LYS 98 Cb 0.06 -2.91 -0.00 0.00 -1.68 0.00 0.00 37.83 33.30 2kjz s LYS 98 CO -0.09 -0.20 0.27 0.00 -0.76 0.00 0.00 175.35 174.57 2kjz n MET 99 N 0.53 0.39 -0.22 1.68 0.00 0.11 -4.89 117.12 114.71 2kjz n MET 99 Ca 0.02 -1.98 0.10 0.00 0.00 0.00 0.00 57.70 55.83 2kjz n MET 99 Cb 0.44 1.79 0.37 0.00 0.00 0.00 0.00 33.22 35.83 2kjz n MET 99 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2kjz h GLU 100 N 0.00 0.68 -0.63 3.17 4.57 -2.03 -2.35 114.58 118.00 2kjz h GLU 100 Ca -0.17 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2kjz h GLU 100 Cb 0.79 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2kjz h GLU 100 CO 0.24 0.45 0.00 1.19 -1.18 0.00 0.00 179.01 179.71 2kjz n PHE 101 N -4.51 0.83 0.00 0.92 3.72 -1.26 -5.04 117.46 112.12 2kjz n PHE 101 Ca 0.14 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2kjz n PHE 101 Cb 0.37 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 1.55 0.27 3.60 1.37 0.00 -0.89 -4.29 105.19 106.80 2kjz n GLY 102 Ca 0.22 -2.26 -0.43 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 0.00 2.78 0.07 1.61 5.04 -0.07 -0.71 117.35 126.07 2kjz s TYR 103 Ca 0.00 0.68 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 2kjz s TYR 103 Cb 0.00 -4.46 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 2kjz s TYR 103 CO 0.00 -1.32 0.06 -0.08 -1.34 0.00 0.00 175.55 172.87 2kjz s THR 104 N 4.53 4.45 -0.22 4.34 -1.32 -0.18 -0.82 115.64 126.43 2kjz s THR 104 Ca 0.48 -0.76 -0.18 0.00 -1.21 0.00 0.00 61.69 60.02 2kjz s THR 104 Cb -0.07 -3.12 0.06 0.00 -1.51 0.00 0.00 72.50 67.85 2kjz s THR 104 CO 0.31 0.16 0.56 0.12 -2.21 0.00 0.00 174.62 173.57 2kjz s PHE 105 N -1.34 -0.68 -0.04 9.09 5.36 -0.13 -1.74 117.98 128.49 2kjz s PHE 105 Ca 0.28 1.58 -0.01 0.00 -0.96 0.00 0.00 56.93 57.81 2kjz s PHE 105 Cb -0.12 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 2kjz s PHE 105 CO 0.20 -0.34 0.03 0.99 -1.46 0.00 0.00 175.22 174.64 2kjz s THR 106 N 0.65 0.08 -0.08 0.12 2.01 -1.26 0.06 115.64 117.21 2kjz s THR 106 Ca -0.03 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 2kjz s THR 106 Cb -0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2kjz s THR 106 CO -0.04 0.18 -0.02 0.00 -0.69 0.00 0.00 174.62 174.05 2kjz s ALA 107 N 1.75 3.17 -0.15 7.40 0.00 -0.49 -3.99 121.76 129.44 2kjz s ALA 107 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2kjz s ALA 107 Cb -0.13 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2kjz s ALA 107 CO -0.03 0.57 -0.07 0.00 0.00 0.00 0.00 175.76 176.23 2kjz s ALA 108 N -0.81 2.85 0.97 0.00 0.00 -1.26 -2.10 121.76 121.41 2kjz s ALA 108 Ca 0.12 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2kjz s ALA 108 Cb -0.11 -1.45 0.22 0.00 0.00 0.00 0.00 23.12 21.78 2kjz s ALA 108 CO 0.02 0.17 1.32 -0.40 0.00 0.00 0.00 175.76 176.87 2kjz n ASP 109 N 3.64 0.26 -0.33 0.00 5.75 -1.26 -0.50 116.55 124.10 2kjz n ASP 109 Ca -0.18 -1.57 0.23 0.00 -0.01 0.00 0.00 54.79 53.26 2kjz n ASP 109 Cb 0.52 -0.99 0.46 0.00 -1.03 0.00 0.00 41.12 40.08 2kjz n ASP 109 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2kjz h PRO 110 N 0.00 0.28 0.00 0.11 0.11 -1.94 0.05 132.00 130.61 2kjz h PRO 110 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2kjz h PRO 110 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kjz h PRO 110 CO 0.32 0.18 -0.15 0.22 -0.21 0.00 0.00 178.00 178.36 2kjz h ASP 111 N 0.28 0.00 -3.86 -2.05 1.82 -1.98 -3.48 116.42 107.16 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 1.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.64 2kjz h ASP 111 CO -0.63 0.15 -0.08 -1.20 -1.61 0.00 0.00 179.24 175.87 2kjz n SER 112 N -3.23 -4.17 -2.41 2.28 7.64 0.00 -4.66 113.62 109.08 2kjz n SER 112 Ca 0.01 0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 2kjz n SER 112 Cb 0.45 -2.61 0.01 0.00 -1.01 0.00 0.00 64.21 61.04 2kjz n SER 112 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kjz n HIS 113 N -0.91 -2.35 -3.99 1.43 -0.00 -1.26 -1.21 115.22 106.93 2kjz n HIS 113 Ca 0.02 -0.31 -0.31 0.00 -0.00 0.00 0.00 57.72 57.13 2kjz n HIS 113 Cb 0.35 -0.07 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 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 -2.35 1.62 -0.46 -0.41 1.81 -1.26 -4.16 118.95 113.74 2kjz s ARG 114 Ca 0.07 -2.10 -0.07 0.00 -1.72 0.00 0.00 55.73 51.91 2kjz s ARG 114 Cb -0.01 -3.21 0.12 0.00 -0.45 0.00 0.00 34.95 31.41 2kjz s ARG 114 CO 0.04 -1.00 0.30 -0.51 -0.68 0.00 0.00 175.30 173.46 2kjz s LEU 115 N 0.53 5.54 -0.73 2.53 1.02 -0.89 -0.94 118.68 125.74 2kjz s LEU 115 Ca 0.13 -2.00 -0.17 0.00 0.02 0.00 0.00 54.13 52.10 2kjz s LEU 115 Cb -0.21 -1.94 0.14 0.00 0.02 0.00 0.00 46.19 44.20 2kjz s LEU 115 CO -0.06 -0.63 0.81 -0.60 0.02 0.00 0.00 176.35 175.90 2kjz s ARG 116 N 1.21 3.33 0.02 1.70 3.00 0.19 -1.40 118.95 127.00 2kjz s ARG 116 Ca 0.07 -1.76 -0.24 0.00 -1.00 0.00 0.00 55.73 52.80 2kjz s ARG 116 Cb -0.25 -4.46 -0.05 0.00 0.00 0.00 0.00 34.95 30.19 2kjz s ARG 116 CO -0.02 -1.52 0.73 0.08 0.00 0.00 0.00 175.30 174.57 2kjz s VAL 117 N 1.94 4.81 0.33 7.11 1.01 0.11 -0.59 120.40 135.11 2kjz s VAL 117 Ca 0.18 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.76 2kjz s VAL 117 Cb -0.16 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2kjz s VAL 117 CO -0.02 0.35 0.22 -0.72 0.00 0.00 0.00 175.10 174.94 2kjz s TYR 118 N 0.07 1.69 -0.18 5.22 1.13 -1.07 -0.95 117.35 123.26 2kjz s TYR 118 Ca 0.37 -1.53 -0.04 0.00 -1.41 0.00 0.00 57.07 54.46 2kjz s TYR 118 Cb -0.20 -0.81 0.08 0.00 -1.10 0.00 0.00 41.96 39.94 2kjz s TYR 118 CO 0.21 -0.70 0.19 0.00 -2.51 0.00 0.00 175.55 172.75 2kjz s ALA 119 N -3.48 -0.14 -0.39 9.51 0.00 0.00 -3.82 121.76 123.44 2kjz s ALA 119 Ca 0.36 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 2kjz s ALA 119 Cb 0.03 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2kjz s ALA 119 CO 0.22 -1.11 0.98 0.12 0.00 0.00 0.00 175.76 175.97 2kjz s PHE 120 N 2.29 3.03 -0.90 0.00 5.36 -1.26 -0.89 117.98 125.61 2kjz s PHE 120 Ca 0.05 0.77 -0.24 0.00 -0.96 0.00 0.00 56.93 56.55 2kjz s PHE 120 Cb -0.15 -3.81 0.02 0.00 -0.34 0.00 0.00 43.02 38.73 2kjz s PHE 120 CO -0.11 -0.92 1.58 0.00 -1.46 0.00 0.00 175.22 174.31 2kjz s ALA 121 N 3.68 2.41 0.00 11.12 0.00 -1.26 -5.01 121.76 132.69 2kjz s ALA 121 Ca 0.40 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2kjz s ALA 121 Cb -0.11 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.55 2kjz s ALA 121 CO 0.21 -3.87 0.00 0.41 0.00 0.00 0.00 175.76 172.51