#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiv s TYR 2 N -1.87 2.96 0.15 0.00 -0.85 -0.49 -4.69 117.35 112.57 3kiv s TYR 2 Ca 0.04 -0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 3kiv s TYR 2 Cb -0.06 -1.60 -0.04 0.00 0.38 0.00 0.00 41.96 40.64 3kiv s TYR 2 CO 0.02 0.43 0.23 -1.01 -1.52 0.00 0.00 175.55 173.71 3kiv s HIS 3 N -1.12 3.37 0.00 -3.49 3.76 -1.26 0.11 115.29 116.65 3kiv s HIS 3 Ca 0.20 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 3kiv s HIS 3 Cb -0.11 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.96 3kiv s HIS 3 CO 0.12 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.93 3kiv n GLY 4 N -0.45 3.82 0.91 -2.22 0.00 -1.26 -0.68 105.19 105.32 3kiv n GLY 4 Ca -0.07 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3kiv n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kiv n ASN 5 N 7.20 2.73 0.00 1.61 2.04 -1.26 -4.92 115.26 122.66 3kiv n ASN 5 Ca 0.00 -1.89 0.00 0.00 -0.44 0.00 0.00 54.58 52.25 3kiv n ASN 5 Cb 0.00 -0.20 0.00 0.00 -2.53 0.00 0.00 39.78 37.05 3kiv n ASN 5 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kiv n GLY 6 N 1.35 0.49 0.26 4.83 0.00 0.15 -2.46 105.19 109.80 3kiv n GLY 6 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3kiv n GLY 6 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kiv h GLN 7 N 1.05 0.40 -0.02 1.61 1.08 -1.82 -2.77 115.11 114.65 3kiv h GLN 7 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3kiv h GLN 7 Cb 0.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3kiv h GLN 7 CO 0.00 0.47 -0.08 0.43 -0.95 0.00 0.00 178.83 178.70 3kiv n SER 8 N -4.28 1.75 -4.72 1.46 7.64 -1.26 -4.72 113.62 109.48 3kiv n SER 8 Ca 0.01 -1.48 -0.42 0.00 1.01 0.00 0.00 58.87 57.98 3kiv n SER 8 Cb 0.25 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 3kiv n SER 8 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3kiv s TYR 9 N -2.13 3.22 -0.24 1.43 5.04 -1.04 -4.89 117.35 118.73 3kiv s TYR 9 Ca 0.32 0.99 0.22 0.00 -2.44 0.00 0.00 57.07 56.17 3kiv s TYR 9 Cb 0.20 -3.69 0.50 0.00 0.35 0.00 0.00 41.96 39.32 3kiv s TYR 9 CO 0.38 -2.37 1.12 0.54 -1.34 0.00 0.00 175.55 173.88 3kiv n ARG 10 N 3.54 1.71 -2.12 4.97 5.12 -1.26 -4.86 116.66 123.76 3kiv n ARG 10 Ca 0.10 -3.44 -0.27 0.00 -1.93 0.00 0.00 57.85 52.31 3kiv n ARG 10 Cb 0.42 -1.53 0.10 0.00 -1.16 0.00 0.00 32.46 30.29 3kiv n ARG 10 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kiv s GLY 11 N -3.67 1.69 -0.18 -0.13 0.00 -1.26 -5.03 107.32 98.74 3kiv s GLY 11 Ca 0.29 -1.01 0.16 0.00 0.00 0.00 0.00 44.72 44.16 3kiv s GLY 11 CO -0.04 -0.49 1.67 -1.30 0.00 0.00 0.00 173.10 172.94 3kiv n THR 12 N -3.18 2.32 -2.40 0.90 -2.24 -1.26 -4.64 114.28 103.78 3kiv n THR 12 Ca 0.10 -1.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.12 3kiv n THR 12 Cb 0.60 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3kiv n THR 12 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3kiv s PHE 13 N -2.37 3.46 -0.08 4.78 5.36 -1.26 -4.89 117.98 122.99 3kiv s PHE 13 Ca 0.52 1.62 0.25 0.00 -0.96 0.00 0.00 56.93 58.35 3kiv s PHE 13 Cb 0.37 -3.37 0.45 0.00 -0.34 0.00 0.00 43.02 40.13 3kiv s PHE 13 CO 0.19 -0.86 1.15 -1.13 -1.46 0.00 0.00 175.22 173.11 3kiv n SER 14 N 1.26 1.15 -4.16 6.13 3.41 -1.26 -1.01 113.62 119.14 3kiv n SER 14 Ca -0.00 -2.01 -0.25 0.00 -0.26 0.00 0.00 58.87 56.35 3kiv n SER 14 Cb 0.44 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 3kiv n SER 14 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kiv s THR 15 N -1.15 1.39 0.71 6.66 2.01 -1.26 -1.94 115.64 122.05 3kiv s THR 15 Ca 0.32 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 3kiv s THR 15 Cb 0.37 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.72 3kiv s THR 15 CO -0.13 0.40 1.08 -0.89 -0.69 0.00 0.00 174.62 174.39 3kiv s THR 16 N -0.31 3.71 0.36 -0.82 2.01 -0.46 -0.95 115.64 119.18 3kiv s THR 16 Ca 0.04 0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.64 3kiv s THR 16 Cb -0.08 -3.45 0.24 0.00 0.01 0.00 0.00 72.50 69.22 3kiv s THR 16 CO -0.00 -0.73 1.99 1.62 -0.69 0.00 0.00 174.62 176.82 3kiv h VAL 17 N -0.70 1.16 0.00 3.82 3.04 -1.56 -1.51 116.25 120.49 3kiv h VAL 17 Ca -0.45 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3kiv h VAL 17 Cb 1.24 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3kiv h VAL 17 CO 0.61 0.17 0.00 0.00 -1.01 0.00 0.00 177.57 177.34 3kiv h THR 18 N 0.72 0.00 0.00 3.17 1.03 -1.93 -3.47 112.91 112.44 3kiv h THR 18 Ca 0.19 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3kiv h THR 18 Cb -0.01 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 3kiv h THR 18 CO -0.03 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.09 3kiv n GLY 19 N 0.76 0.80 3.69 2.99 0.00 -0.57 -5.10 105.19 107.77 3kiv n GLY 19 Ca 0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3kiv n GLY 19 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kiv s ARG 20 N -0.68 0.94 0.00 1.61 3.52 -1.26 -4.74 118.95 118.35 3kiv s ARG 20 Ca 0.00 0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 56.39 3kiv s ARG 20 Cb 0.00 -1.77 -0.04 0.00 -1.56 0.00 0.00 34.95 31.58 3kiv s ARG 20 CO 0.00 -2.45 0.08 0.99 -0.81 0.00 0.00 175.30 173.11 3kiv s THR 21 N -2.90 4.73 0.36 4.11 2.01 -1.26 -1.35 115.64 121.33 3kiv s THR 21 Ca 0.64 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.95 3kiv s THR 21 Cb -0.19 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 3kiv s THR 21 CO 0.58 0.33 1.04 0.00 -0.69 0.00 0.00 174.62 175.88 3kiv s GLN 23 N -2.15 4.13 0.24 0.00 0.74 0.13 -4.63 119.66 118.12 3kiv s GLN 23 Ca 0.53 0.84 -0.30 0.00 0.05 0.00 0.00 55.36 56.48 3kiv s GLN 23 Cb -0.24 -2.47 -0.09 0.00 1.10 0.00 0.00 33.01 31.30 3kiv s GLN 23 CO 0.30 0.16 1.35 -1.12 -0.55 0.00 0.00 175.29 175.44 3kiv s SER 24 N -2.11 6.80 0.40 6.67 0.01 -1.26 -4.55 113.70 119.65 3kiv s SER 24 Ca 0.54 2.54 0.07 0.00 1.31 0.00 0.00 55.95 60.41 3kiv s SER 24 Cb -0.12 -2.62 0.83 0.00 0.21 0.00 0.00 66.02 64.33 3kiv s SER 24 CO 0.17 -0.58 2.01 -0.50 0.41 0.00 0.00 173.24 174.76 3kiv h TRP 25 N 4.92 0.60 0.00 2.43 4.06 -1.74 -0.91 115.95 125.30 3kiv h TRP 25 Ca -0.46 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.51 3kiv h TRP 25 Cb 1.22 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3kiv h TRP 25 CO 0.60 0.35 0.00 0.66 -3.56 0.00 0.00 178.44 176.49 3kiv h SER 26 N 0.62 0.00 -3.64 -3.49 4.64 -1.83 -3.40 113.55 106.44 3kiv h SER 26 Ca 0.22 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.04 3kiv h SER 26 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3kiv h SER 26 CO -0.06 0.00 0.29 -0.55 -0.87 0.00 0.00 176.83 175.64 3kiv s SER 27 N -5.64 7.53 0.00 4.97 0.15 -0.35 -4.95 113.70 115.41 3kiv s SER 27 Ca 0.01 1.81 0.25 0.00 0.70 0.00 0.00 55.95 58.72 3kiv s SER 27 Cb 0.09 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.28 3kiv s SER 27 CO 0.54 0.15 1.40 0.23 1.20 0.00 0.00 173.24 176.76 3kiv n MET 28 N 1.71 2.14 -4.75 5.44 2.81 -1.26 -4.80 117.12 118.40 3kiv n MET 28 Ca -0.03 -1.66 -0.24 0.00 -1.81 0.00 0.00 57.70 53.96 3kiv n MET 28 Cb 0.48 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 31.37 3kiv n MET 28 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3kiv s THR 29 N -1.98 1.28 -0.39 2.03 2.01 -1.26 -2.89 115.64 114.44 3kiv s THR 29 Ca 0.31 -0.67 0.26 0.00 0.31 0.00 0.00 61.69 61.90 3kiv s THR 29 Cb 0.20 -1.08 0.34 0.00 0.01 0.00 0.00 72.50 71.97 3kiv s THR 29 CO 0.31 0.37 1.71 1.55 -0.69 0.00 0.00 174.62 177.87 3kiv h PRO 30 N 5.96 0.00 -5.50 4.92 0.13 -1.86 -3.46 132.00 132.20 3kiv h PRO 30 Ca -0.35 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 3kiv h PRO 30 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 3kiv h PRO 30 CO 0.48 0.00 -0.57 -1.01 -0.23 0.00 0.00 178.00 176.67 3kiv s HIS 31 N -3.28 3.26 0.05 1.56 3.76 -1.25 -5.02 115.29 114.36 3kiv s HIS 31 Ca 0.06 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 3kiv s HIS 31 Cb 0.07 -1.98 -0.06 0.00 1.11 0.00 0.00 32.58 31.72 3kiv s HIS 31 CO 0.62 0.30 0.58 1.03 -0.85 0.00 0.00 174.74 176.42 3kiv s ARG 32 N -0.14 4.24 0.25 1.40 3.00 -1.14 -4.37 118.95 122.18 3kiv s ARG 32 Ca 0.07 0.74 -0.21 0.00 0.00 0.00 0.00 55.73 56.33 3kiv s ARG 32 Cb -0.12 -3.27 0.06 0.00 0.00 0.00 0.00 34.95 31.62 3kiv s ARG 32 CO 0.01 0.57 0.90 -3.38 0.00 0.00 0.00 175.30 173.40 3kiv s HIS 33 N -0.86 -0.01 -0.32 -0.53 -3.43 -1.26 -5.08 115.29 103.79 3kiv s HIS 33 Ca 0.30 -0.45 0.10 0.00 -0.80 0.00 0.00 55.06 54.21 3kiv s HIS 33 Cb -0.19 0.72 0.24 0.00 -1.43 0.00 0.00 32.58 31.92 3kiv s HIS 33 CO 0.19 -1.13 1.18 1.04 -2.00 0.00 0.00 174.74 174.01 3kiv n GLN 34 N -0.55 2.62 -2.84 -0.38 1.13 -1.26 -4.75 117.38 111.35 3kiv n GLN 34 Ca -0.05 -2.10 -0.43 0.00 -1.94 0.00 0.00 57.00 52.48 3kiv n GLN 34 Cb 0.60 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.64 3kiv n GLN 34 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kiv n ARG 35 N -0.39 4.36 -3.85 -1.09 5.12 -1.26 -4.75 116.66 114.80 3kiv n ARG 35 Ca 0.10 -4.34 -0.28 0.00 -1.93 0.00 0.00 57.85 51.40 3kiv n ARG 35 Cb 0.49 -2.59 -0.03 0.00 -1.16 0.00 0.00 32.46 29.16 3kiv n ARG 35 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3kiv s THR 37 N -2.22 5.30 0.60 0.55 -4.23 -1.26 -4.81 115.64 109.57 3kiv s THR 37 Ca 0.33 -0.46 0.29 0.00 -1.18 0.00 0.00 61.69 60.67 3kiv s THR 37 Cb 0.07 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.58 3kiv s THR 37 CO 0.08 -0.04 1.93 1.55 -0.54 0.00 0.00 174.62 177.61 3kiv h PRO 38 N 2.42 0.00 -0.52 3.99 0.13 -1.80 0.52 132.00 136.75 3kiv h PRO 38 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 3kiv h PRO 38 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3kiv h PRO 38 CO 0.71 0.00 0.05 0.93 -0.23 0.00 0.00 178.00 179.46 3kiv h GLU 39 N 0.00 0.88 0.00 0.86 3.07 -1.94 -1.89 114.58 115.55 3kiv h GLU 39 Ca 0.17 -0.25 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 3kiv h GLU 39 Cb 1.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3kiv h GLU 39 CO -0.00 0.88 -1.27 0.09 -1.40 0.00 0.00 179.01 177.31 3kiv n ASN 40 N -4.35 0.68 -3.23 1.42 3.02 0.16 -4.45 115.26 108.51 3kiv n ASN 40 Ca 0.01 0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 54.59 3kiv n ASN 40 Cb 0.28 0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 3kiv n ASN 40 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3kiv n TYR 41 N -2.63 1.67 0.21 3.10 4.02 0.12 -4.95 117.16 118.70 3kiv n TYR 41 Ca -0.03 -3.86 0.03 0.00 -0.01 0.00 0.00 57.90 54.03 3kiv n TYR 41 Cb 0.60 -0.45 0.13 0.00 -0.02 0.00 0.00 39.34 39.60 3kiv n TYR 41 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3kiv n PRO 42 N 0.79 0.02 -0.23 -0.72 -0.02 -0.71 -2.44 135.00 131.68 3kiv n PRO 42 Ca 0.26 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3kiv n PRO 42 Cb 0.49 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.64 3kiv n PRO 42 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kiv n ASN 43 N -1.46 2.37 -0.30 2.55 3.02 -1.26 -4.61 115.26 115.57 3kiv n ASN 43 Ca 0.02 -3.26 0.05 0.00 -0.03 0.00 0.00 54.58 51.35 3kiv n ASN 43 Cb 0.06 -0.47 0.11 0.00 -0.61 0.00 0.00 39.78 38.87 3kiv n ASN 43 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kiv n ASP 44 N -1.28 2.58 -3.32 6.41 8.00 -1.02 -4.97 116.55 122.95 3kiv n ASP 44 Ca 0.18 -2.40 -0.20 0.00 0.71 0.00 0.00 54.79 53.08 3kiv n ASP 44 Cb 0.69 -0.23 0.08 0.00 -0.02 0.00 0.00 41.12 41.63 3kiv n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kiv n GLY 45 N -0.47 -0.39 2.21 0.44 0.00 -1.26 -4.77 105.19 100.94 3kiv n GLY 45 Ca 0.10 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 3kiv n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kiv n LEU 46 N -4.43 4.59 -4.72 0.99 4.32 -1.26 -4.88 117.00 111.60 3kiv n LEU 46 Ca -0.07 -2.77 -0.41 0.00 -0.02 0.00 0.00 56.01 52.74 3kiv n LEU 46 Cb 0.59 -1.13 -0.04 0.00 -1.62 0.00 0.00 43.42 41.22 3kiv n LEU 46 CO 0.59 1.19 0.55 -0.89 -1.22 0.00 0.00 177.39 177.61 3kiv s THR 47 N 1.81 4.81 0.00 -5.08 2.01 -1.26 -4.48 115.64 113.45 3kiv s THR 47 Ca 0.51 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.31 3kiv s THR 47 Cb 0.22 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3kiv s THR 47 CO -0.01 0.27 0.00 0.23 -0.69 0.00 0.00 174.62 174.42 3kiv n MET 48 N 3.37 0.00 -1.07 4.92 2.81 -1.26 -2.14 117.12 123.75 3kiv n MET 48 Ca 0.01 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.92 3kiv n MET 48 Cb 0.51 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.15 3kiv n MET 48 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3kiv n ASN 49 N 3.22 1.99 -4.77 7.83 2.04 -1.26 -2.40 115.26 121.92 3kiv n ASN 49 Ca 0.00 -3.42 -0.37 0.00 -0.44 0.00 0.00 54.58 50.35 3kiv n ASN 49 Cb 0.00 -0.46 0.00 0.00 -2.53 0.00 0.00 39.78 36.80 3kiv n ASN 49 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 3kiv s TYR 50 N -2.65 2.71 0.21 -2.53 2.02 -0.91 -4.60 117.35 111.60 3kiv s TYR 50 Ca 0.38 1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 58.28 3kiv s TYR 50 Cb 0.38 -3.48 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 3kiv s TYR 50 CO -0.07 -1.85 1.43 0.00 -1.57 0.00 0.00 175.55 173.48 3kiv n ARG 52 N 2.78 0.51 -2.98 0.00 5.12 -0.70 -4.77 116.66 116.62 3kiv n ARG 52 Ca 0.08 -2.17 -0.16 0.00 -1.93 0.00 0.00 57.85 53.67 3kiv n ARG 52 Cb 0.41 2.06 -0.01 0.00 -1.16 0.00 0.00 32.46 33.75 3kiv n ARG 52 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kiv n ASN 53 N -1.77 -1.40 0.08 0.55 5.15 -1.26 -1.19 115.26 115.41 3kiv n ASN 53 Ca 0.01 -2.96 0.12 0.00 -0.60 0.00 0.00 54.58 51.15 3kiv n ASN 53 Cb 0.45 0.58 0.45 0.00 -0.53 0.00 0.00 39.78 40.73 3kiv n ASN 53 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kiv n PRO 54 N 1.66 0.15 -0.40 1.20 -0.04 -1.26 -3.41 135.00 132.90 3kiv n PRO 54 Ca 0.16 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 3kiv n PRO 54 Cb 0.57 -1.72 0.24 0.00 -0.04 0.00 0.00 33.50 32.55 3kiv n PRO 54 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kiv n ASP 55 N -1.98 3.72 -3.70 3.54 5.75 -1.26 -5.00 116.55 117.62 3kiv n ASP 55 Ca 0.04 -2.84 -0.22 0.00 -0.01 0.00 0.00 54.79 51.76 3kiv n ASP 55 Cb 0.30 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.94 3kiv n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kiv n ALA 56 N -0.33 -1.87 -1.35 2.12 0.00 -1.22 -5.01 120.51 112.85 3kiv n ALA 56 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kiv n ALA 56 Cb 0.81 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3kiv n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kiv n ASP 57 N -3.03 0.00 -0.65 0.00 -0.08 -1.26 -5.01 116.55 106.52 3kiv n ASP 57 Ca -0.23 -0.98 0.13 0.00 -1.51 0.00 0.00 54.79 52.20 3kiv n ASP 57 Cb 0.65 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.45 3kiv n ASP 57 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kiv n THR 58 N -1.79 0.00 -3.62 5.18 -2.24 -1.26 -4.81 114.28 105.73 3kiv n THR 58 Ca 0.00 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.41 3kiv n THR 58 Cb 0.00 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 3kiv n THR 58 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kiv s GLY 60 N -2.04 -0.35 0.31 3.38 0.00 -1.03 -4.61 107.32 102.98 3kiv s GLY 60 Ca 0.33 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 3kiv s GLY 60 CO 0.34 0.24 1.49 -4.14 0.00 0.00 0.00 173.10 171.02 3kiv s PRO 61 N -2.80 4.19 0.28 2.90 0.02 -1.26 -4.79 135.00 133.54 3kiv s PRO 61 Ca 0.10 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3kiv s PRO 61 Cb 0.01 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 3kiv s PRO 61 CO -0.04 -0.49 0.28 1.67 -0.33 0.00 0.00 177.00 178.09 3kiv s TRP 62 N -0.45 1.27 0.20 6.54 1.48 -0.34 -1.20 118.94 126.44 3kiv s TRP 62 Ca 0.58 -1.40 -0.23 0.00 -1.06 0.00 0.00 56.10 53.99 3kiv s TRP 62 Cb -0.45 -0.45 0.05 0.00 -1.16 0.00 0.00 33.47 31.46 3kiv s TRP 62 CO 0.51 -0.85 0.67 0.00 -4.06 0.00 0.00 176.95 173.22 3kiv s PHE 64 N -3.77 2.88 0.21 0.00 0.08 -1.26 -2.09 117.98 114.03 3kiv s PHE 64 Ca 0.05 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.69 3kiv s PHE 64 Cb -0.03 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 3kiv s PHE 64 CO -0.05 -1.27 0.13 0.99 -0.10 0.00 0.00 175.22 174.92 3kiv s THR 65 N -2.37 4.24 -0.90 0.64 2.01 -0.42 0.22 115.64 119.05 3kiv s THR 65 Ca 0.65 -1.36 0.27 0.00 0.31 0.00 0.00 61.69 61.56 3kiv s THR 65 Cb -0.18 -3.22 0.21 0.00 0.01 0.00 0.00 72.50 69.32 3kiv s THR 65 CO 0.37 -0.24 1.78 0.41 -0.69 0.00 0.00 174.62 176.24 3kiv n THR 66 N -0.73 0.19 -2.31 -0.82 -1.04 -0.61 -4.58 114.28 104.38 3kiv n THR 66 Ca -0.08 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 3kiv n THR 66 Cb 0.57 -0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 68.65 3kiv n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kiv s ASP 67 N -3.52 6.12 0.66 8.00 -1.08 -1.26 -4.76 116.67 120.83 3kiv s ASP 67 Ca 0.12 0.60 0.30 0.00 -0.52 0.00 0.00 52.55 53.06 3kiv s ASP 67 Cb 0.17 -2.54 1.65 0.00 -1.46 0.00 0.00 42.92 40.74 3kiv s ASP 67 CO 0.58 -1.65 1.95 -0.65 0.52 0.00 0.00 175.17 175.92 3kiv h PRO 68 N 11.39 0.00 0.02 4.34 0.11 -1.96 -0.28 132.00 145.63 3kiv h PRO 68 Ca -0.28 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.59 3kiv h PRO 68 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3kiv h PRO 68 CO 1.13 0.00 -1.23 0.77 -0.21 0.00 0.00 178.00 178.46 3kiv h SER 69 N 0.00 0.08 -3.70 -2.05 0.02 -1.93 -3.43 113.55 102.54 3kiv h SER 69 Ca 0.03 -0.10 -0.68 0.00 -0.84 0.00 0.00 61.79 60.20 3kiv h SER 69 Cb 0.68 -0.03 -0.34 0.00 0.14 0.00 0.00 62.40 62.86 3kiv h SER 69 CO -0.00 1.08 -0.75 -0.63 -1.14 0.00 0.00 176.83 175.39 3kiv s ILE 70 N -2.67 2.66 0.08 3.27 -1.09 -0.12 -5.04 121.20 118.30 3kiv s ILE 70 Ca -0.02 -1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 56.76 3kiv s ILE 70 Cb 0.09 -2.48 -0.17 0.00 -1.58 0.00 0.00 42.46 38.32 3kiv s ILE 70 CO 0.83 0.03 1.67 -0.09 -1.23 0.00 0.00 174.94 176.15 3kiv h ARG 71 N 7.93 -0.53 -3.08 2.79 2.43 -1.84 -3.30 114.38 118.78 3kiv h ARG 71 Ca -0.25 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3kiv h ARG 71 Cb 1.07 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.63 3kiv h ARG 71 CO 0.53 -0.35 0.16 1.67 -1.51 0.00 0.00 179.97 180.46 3kiv s TRP 72 N -6.11 -0.43 0.19 2.20 1.48 -1.26 -1.31 118.94 113.71 3kiv s TRP 72 Ca -0.16 0.17 -0.20 0.00 -1.06 0.00 0.00 56.10 54.85 3kiv s TRP 72 Cb 0.05 0.52 0.04 0.00 -1.16 0.00 0.00 33.47 32.92 3kiv s TRP 72 CO 0.64 -0.87 0.56 -1.21 -4.06 0.00 0.00 176.95 172.00 3kiv s GLU 73 N -3.78 1.37 0.58 3.25 2.02 -0.89 -4.89 118.70 116.36 3kiv s GLU 73 Ca 0.03 -0.74 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 3kiv s GLU 73 Cb -0.01 0.55 -0.04 0.00 0.10 0.00 0.00 34.13 34.73 3kiv s GLU 73 CO -0.10 -0.59 1.11 0.71 0.02 0.00 0.00 175.26 176.40 3kiv s TYR 74 N -3.83 2.73 0.35 1.61 2.02 -1.26 -1.54 117.35 117.42 3kiv s TYR 74 Ca 0.06 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.21 3kiv s TYR 74 Cb -0.01 -3.20 -0.06 0.00 -0.40 0.00 0.00 41.96 38.28 3kiv s TYR 74 CO -0.06 -1.47 0.69 0.00 -1.57 0.00 0.00 175.55 173.14 3kiv n ASN 76 N -0.99 3.66 -4.14 0.00 4.05 -0.13 -4.49 115.26 113.22 3kiv n ASN 76 Ca 0.01 -2.80 -0.12 0.00 0.45 0.00 0.00 54.58 52.12 3kiv n ASN 76 Cb 0.54 -1.55 -0.11 0.00 1.23 0.00 0.00 39.78 39.90 3kiv n ASN 76 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3kiv s LEU 77 N 3.02 2.42 0.12 1.20 1.43 -1.26 -4.99 118.68 120.62 3kiv s LEU 77 Ca 0.53 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3kiv s LEU 77 Cb 0.11 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.15 3kiv s LEU 77 CO 0.01 -0.35 0.26 0.28 0.23 0.00 0.00 176.35 176.78 3kiv s THR 78 N -2.75 5.34 -0.23 5.49 -1.32 -1.20 -4.99 115.64 115.97 3kiv s THR 78 Ca 0.04 -0.61 -0.19 0.00 -1.21 0.00 0.00 61.69 59.73 3kiv s THR 78 Cb -0.01 -3.71 -0.03 0.00 -1.51 0.00 0.00 72.50 67.25 3kiv s THR 78 CO -0.02 -0.03 0.54 -0.60 -2.21 0.00 0.00 174.62 172.30 3kiv s ARG 79 N -3.04 4.13 0.00 7.08 3.00 -1.26 -1.39 118.95 127.47 3kiv s ARG 79 Ca 0.35 0.42 0.00 0.00 -1.00 0.00 0.00 55.73 55.49 3kiv s ARG 79 Cb -0.12 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.22 3kiv s ARG 79 CO 0.28 -0.28 0.37 0.00 0.00 0.00 0.00 175.30 175.68