#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5k s ARG 7 N 0.00 4.34 0.42 1.09 3.52 -1.26 -4.95 118.95 122.11 1m5k s ARG 7 Ca 0.00 1.95 -0.26 0.00 -0.13 0.00 0.00 55.73 57.29 1m5k s ARG 7 Cb 0.00 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 1m5k s ARG 7 CO 0.00 -0.43 1.41 -1.25 -0.81 0.00 0.00 175.30 174.22 1m5k s PRO 8 N 1.53 3.85 0.17 5.12 0.04 -1.26 -4.70 135.00 139.76 1m5k s PRO 8 Ca 0.62 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 64.05 1m5k s PRO 8 Cb -0.33 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1m5k s PRO 8 CO 0.28 -0.67 0.08 1.21 0.04 0.00 0.00 177.00 177.94 1m5k s ASN 9 N -0.48 0.49 0.38 6.66 3.84 -1.26 -5.03 114.94 119.54 1m5k s ASN 9 Ca 0.58 -1.28 0.14 0.00 0.21 0.00 0.00 52.86 52.50 1m5k s ASN 9 Cb -0.43 0.28 0.77 0.00 -0.55 0.00 0.00 41.25 41.33 1m5k s ASN 9 CO 0.56 -0.74 1.85 0.45 -2.79 0.00 0.00 177.10 176.43 1m5k h HIS 10 N 2.71 0.00 -3.02 0.43 3.86 -1.88 -3.44 115.15 113.80 1m5k h HIS 10 Ca -0.36 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.21 1m5k h HIS 10 Cb 1.22 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.62 1m5k h HIS 10 CO 0.42 0.34 -0.55 0.99 0.86 0.00 0.00 177.93 180.00 1m5k s THR 11 N -4.22 4.96 -0.10 2.45 2.01 -1.26 -1.80 115.64 117.68 1m5k s THR 11 Ca -0.03 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1m5k s THR 11 Cb 0.14 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 1m5k s THR 11 CO 0.72 0.24 -0.24 0.27 -0.69 0.00 0.00 174.62 174.92 1m5k s ILE 12 N -1.34 2.02 -0.17 1.82 -4.36 -1.11 -1.73 121.20 116.33 1m5k s ILE 12 Ca 0.28 -1.00 -0.19 0.00 -0.26 0.00 0.00 60.65 59.49 1m5k s ILE 12 Cb -0.12 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1m5k s ILE 12 CO 0.20 0.55 0.51 -0.47 0.24 0.00 0.00 174.94 175.98 1m5k s TYR 13 N 0.33 3.42 -0.13 1.37 6.14 0.22 -2.60 117.35 126.10 1m5k s TYR 13 Ca -0.18 0.83 0.03 0.00 0.64 0.00 0.00 57.07 58.39 1m5k s TYR 13 Cb -0.18 -2.64 0.01 0.00 0.42 0.00 0.00 41.96 39.57 1m5k s TYR 13 CO 0.08 -0.01 -0.22 0.42 0.64 0.00 0.00 175.55 176.47 1m5k s ILE 14 N 1.28 1.99 0.37 3.14 1.01 -0.46 -1.04 121.20 127.50 1m5k s ILE 14 Ca 0.25 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1m5k s ILE 14 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1m5k s ILE 14 CO 0.10 0.54 0.21 0.54 0.00 0.00 0.00 174.94 176.33 1m5k s ASN 15 N 0.71 2.22 -0.42 3.58 6.03 -0.23 -1.62 114.94 125.21 1m5k s ASN 15 Ca -0.10 -1.73 -0.02 0.00 -1.03 0.00 0.00 52.86 49.98 1m5k s ASN 15 Cb -0.16 0.56 0.00 0.00 -3.03 0.00 0.00 41.25 38.62 1m5k s ASN 15 CO 0.01 -1.01 0.37 -3.20 -2.03 0.00 0.00 177.10 171.23 1m5k n ASN 16 N -1.45 -3.14 -4.93 3.54 5.15 -1.08 -1.62 115.26 111.73 1m5k n ASN 16 Ca 0.01 -0.18 -0.28 0.00 -0.60 0.00 0.00 54.58 53.53 1m5k n ASN 16 Cb 0.64 -1.94 -0.03 0.00 -0.53 0.00 0.00 39.78 37.91 1m5k n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5k s LEU 17 N -3.07 4.27 0.03 1.20 1.43 -0.97 -4.55 118.68 117.03 1m5k s LEU 17 Ca 0.15 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 1m5k s LEU 17 Cb -0.07 -3.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.97 1m5k s LEU 17 CO 0.23 0.01 1.84 0.21 0.23 0.00 0.00 176.35 178.88 1m5k s ASN 18 N -3.02 6.52 0.07 2.29 3.84 -1.26 -4.58 114.94 118.79 1m5k s ASN 18 Ca 0.37 2.56 0.25 0.00 0.21 0.00 0.00 52.86 56.25 1m5k s ASN 18 Cb -0.11 -2.54 1.02 0.00 -0.55 0.00 0.00 41.25 39.07 1m5k s ASN 18 CO 0.28 -1.00 1.80 -0.62 -2.79 0.00 0.00 177.10 174.77 1m5k n GLU 19 N 7.05 0.07 0.00 0.43 1.02 -1.26 -3.57 120.64 124.38 1m5k n GLU 19 Ca 0.19 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 1m5k n GLU 19 Cb 0.41 -1.59 0.43 0.00 -0.02 0.00 0.00 31.44 30.67 1m5k n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5k n LYS 20 N -1.72 0.76 -2.62 3.49 5.02 -1.26 -4.87 118.16 116.97 1m5k n LYS 20 Ca 0.06 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.51 1m5k n LYS 20 Cb 0.32 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1m5k n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m5k s ILE 21 N -2.52 4.63 0.51 -0.18 -1.09 -1.23 -5.00 121.20 116.32 1m5k s ILE 21 Ca 0.25 1.91 -0.22 0.00 -2.23 0.00 0.00 60.65 60.35 1m5k s ILE 21 Cb 0.19 -4.22 -0.07 0.00 -1.58 0.00 0.00 42.46 36.78 1m5k s ILE 21 CO 0.52 0.02 1.18 0.29 -1.23 0.00 0.00 174.94 175.72 1m5k n LYS 22 N 4.91 1.49 -0.12 2.79 5.02 -1.26 -4.71 118.16 126.28 1m5k n LYS 22 Ca 0.09 0.55 -0.09 0.00 -2.02 0.00 0.00 58.31 56.84 1m5k n LYS 22 Cb 0.48 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.12 1m5k n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1m5k h LYS 23 N 1.35 -0.29 -0.23 1.97 3.64 -1.96 0.08 116.57 121.14 1m5k h LYS 23 Ca -0.49 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1m5k h LYS 23 Cb 1.32 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 1m5k h LYS 23 CO 0.56 -0.19 -0.20 0.22 -2.27 0.00 0.00 179.45 177.57 1m5k h ASP 24 N -0.30 0.40 -0.29 4.20 1.82 -1.97 0.02 116.42 120.31 1m5k h ASP 24 Ca 0.15 -0.11 -0.12 0.00 -0.39 0.00 0.00 57.03 56.56 1m5k h ASP 24 Cb 0.57 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 1m5k h ASP 24 CO -0.56 0.61 -0.27 -0.08 -1.61 0.00 0.00 179.24 177.33 1m5k h GLU 25 N 0.37 0.70 -0.70 0.28 4.81 -1.79 -1.52 114.58 116.73 1m5k h GLU 25 Ca 0.06 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1m5k h GLU 25 Cb 0.56 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1m5k h GLU 25 CO 0.04 0.98 0.45 1.25 -0.73 0.00 0.00 179.01 181.00 1m5k h LEU 26 N 0.44 0.81 -0.81 1.64 5.85 -0.76 -0.50 115.31 121.99 1m5k h LEU 26 Ca 0.05 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1m5k h LEU 26 Cb 0.84 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1m5k h LEU 26 CO 0.07 0.60 0.36 0.50 -0.34 0.00 0.00 178.44 179.63 1m5k h LYS 27 N 0.95 1.18 -0.07 1.25 3.64 -0.85 -1.59 116.57 121.07 1m5k h LYS 27 Ca 0.25 -0.19 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1m5k h LYS 27 Cb -0.09 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1m5k h LYS 27 CO -0.05 0.93 -0.89 0.87 -2.27 0.00 0.00 179.45 178.04 1m5k h LYS 28 N 1.16 0.68 -0.69 1.90 1.57 -0.89 -2.67 116.57 117.62 1m5k h LYS 28 Ca 0.27 -0.63 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1m5k h LYS 28 Cb 0.16 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1m5k h LYS 28 CO -0.03 1.24 0.44 0.77 -0.57 0.00 0.00 179.45 181.30 1m5k h SER 29 N 0.43 0.74 -0.72 0.86 0.02 -0.92 -1.17 113.55 112.80 1m5k h SER 29 Ca -0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1m5k h SER 29 Cb 1.52 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 1m5k h SER 29 CO 0.17 0.53 0.41 -0.07 -1.14 0.00 0.00 176.83 176.73 1m5k h LEU 30 N 0.88 0.89 -0.08 5.07 3.38 -1.29 -1.51 115.31 122.65 1m5k h LEU 30 Ca 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1m5k h LEU 30 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1m5k h LEU 30 CO -0.09 0.71 0.04 -0.74 0.09 0.00 0.00 178.44 178.45 1m5k h HIS 31 N 0.99 0.12 -0.66 1.13 2.76 -1.07 -1.24 115.15 117.17 1m5k h HIS 31 Ca 0.26 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1m5k h HIS 31 Cb 0.00 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 28.86 1m5k h HIS 31 CO -0.01 0.19 0.30 0.00 -1.30 0.00 0.00 177.93 177.12 1m5k h ALA 32 N 0.91 0.88 -0.52 5.26 0.00 -0.94 0.13 119.26 124.98 1m5k h ALA 32 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1m5k h ALA 32 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1m5k h ALA 32 CO -0.00 -0.10 -0.11 0.82 0.00 0.00 0.00 179.25 179.86 1m5k h ILE 33 N 0.53 1.27 0.00 0.00 5.03 -1.07 -3.32 117.51 119.94 1m5k h ILE 33 Ca 0.32 -1.25 0.00 0.00 -0.12 0.00 0.00 64.86 63.82 1m5k h ILE 33 Cb 0.35 0.98 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 1m5k h ILE 33 CO -0.27 0.44 -1.28 0.49 -0.68 0.00 0.00 178.15 176.85 1m5k n PHE 34 N -4.15 0.13 -0.35 1.37 3.72 -0.49 -4.60 117.46 113.10 1m5k n PHE 34 Ca 0.02 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1m5k n PHE 34 Cb 0.39 -0.33 0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1m5k n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1m5k h SER 35 N 0.00 -1.25 0.00 4.37 0.02 -0.85 -0.91 113.55 114.93 1m5k h SER 35 Ca 0.00 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1m5k h SER 35 Cb 0.74 0.69 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1m5k h SER 35 CO 0.00 -0.30 0.26 -2.11 -1.14 0.00 0.00 176.83 173.55 1m5k n ARG 36 N -5.51 0.06 0.10 3.45 1.85 -1.26 -1.65 116.66 113.71 1m5k n ARG 36 Ca 0.11 0.49 0.12 0.00 -1.00 0.00 0.00 57.85 57.56 1m5k n ARG 36 Cb 0.42 -1.97 0.11 0.00 -1.05 0.00 0.00 32.46 29.96 1m5k n ARG 36 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1m5k h PHE 37 N 0.00 0.00 0.00 2.89 0.04 -1.50 -3.50 116.94 114.87 1m5k h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1m5k h PHE 37 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1m5k h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1m5k n GLY 38 N 1.24 -1.45 3.76 -1.45 0.00 -0.66 -4.56 105.19 102.08 1m5k n GLY 38 Ca 0.02 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1m5k n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m5k s GLN 39 N -1.73 4.46 -0.31 1.61 0.74 -1.26 -4.71 119.66 118.46 1m5k s GLN 39 Ca 0.00 2.06 -0.06 0.00 0.05 0.00 0.00 55.36 57.41 1m5k s GLN 39 Cb 0.00 -3.12 0.03 0.00 1.10 0.00 0.00 33.01 31.02 1m5k s GLN 39 CO 0.00 -0.04 0.08 0.42 -0.55 0.00 0.00 175.29 175.20 1m5k s ILE 40 N -1.12 3.74 0.31 -2.34 1.01 -1.26 -2.20 121.20 119.34 1m5k s ILE 40 Ca 0.47 -0.98 0.20 0.00 0.00 0.00 0.00 60.65 60.35 1m5k s ILE 40 Cb -0.37 -3.03 0.19 0.00 0.01 0.00 0.00 42.46 39.26 1m5k s ILE 40 CO 0.48 -0.05 1.89 -0.07 0.00 0.00 0.00 174.94 177.19 1m5k h LEU 41 N 8.20 0.00 0.00 2.97 3.38 -0.76 -3.48 115.31 125.62 1m5k h LEU 41 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1m5k h LEU 41 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1m5k h LEU 41 CO 0.60 0.27 0.00 -0.67 0.09 0.00 0.00 178.44 178.73 1m5k n ASP 42 N -3.72 0.00 -3.65 -0.43 2.03 -1.20 -5.02 116.55 104.56 1m5k n ASP 42 Ca -0.01 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.13 1m5k n ASP 42 Cb 0.38 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.63 1m5k n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1m5k s ILE 43 N -2.00 -0.30 -0.27 5.18 1.01 -1.26 -1.25 121.20 122.31 1m5k s ILE 43 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1m5k s ILE 43 Cb 0.00 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 1m5k s ILE 43 CO 0.00 0.10 0.16 -0.76 0.00 0.00 0.00 174.94 174.45 1m5k s LEU 44 N 2.32 3.90 -0.10 2.97 1.43 0.53 -4.93 118.68 124.80 1m5k s LEU 44 Ca 0.03 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1m5k s LEU 44 Cb -0.12 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1m5k s LEU 44 CO -0.07 -0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 175.72 1m5k s VAL 45 N 1.71 0.86 0.03 -1.59 1.01 -1.26 -1.41 120.40 119.74 1m5k s VAL 45 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1m5k s VAL 45 Cb -0.16 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1m5k s VAL 45 CO 0.09 0.34 -0.18 -0.55 0.00 0.00 0.00 175.10 174.80 1m5k s SER 46 N 1.77 2.12 -0.22 3.32 0.15 -1.26 -5.02 113.70 114.56 1m5k s SER 46 Ca 0.05 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.41 1m5k s SER 46 Cb -0.12 -0.18 0.68 0.00 -1.71 0.00 0.00 66.02 64.68 1m5k s SER 46 CO -0.07 0.14 1.60 0.54 1.20 0.00 0.00 173.24 176.65 1m5k n ARG 47 N 2.11 3.86 -1.49 5.44 1.74 -1.26 -2.06 116.66 125.01 1m5k n ARG 47 Ca -0.17 -3.02 -0.32 0.00 -0.77 0.00 0.00 57.85 53.57 1m5k n ARG 47 Cb 0.54 -2.07 0.07 0.00 -1.02 0.00 0.00 32.46 29.99 1m5k n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m5k s SER 48 N -1.37 4.70 0.33 0.55 1.04 -1.26 -4.53 113.70 113.16 1m5k s SER 48 Ca 0.49 1.96 0.12 0.00 0.48 0.00 0.00 55.95 59.00 1m5k s SER 48 Cb 0.38 -2.54 1.04 0.00 0.10 0.00 0.00 66.02 65.00 1m5k s SER 48 CO 0.12 -1.90 1.64 0.25 0.98 0.00 0.00 173.24 174.33 1m5k h LEU 49 N -0.55 0.33 0.10 2.42 5.85 -1.95 0.19 115.31 121.69 1m5k h LEU 49 Ca -0.45 0.21 -0.27 0.00 0.84 0.00 0.00 57.88 58.20 1m5k h LEU 49 Cb 1.24 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1m5k h LEU 49 CO 0.52 -0.20 -1.30 0.11 -0.34 0.00 0.00 178.44 177.23 1m5k h LYS 50 N 0.23 0.22 0.00 1.25 1.79 -1.95 -3.38 116.57 114.73 1m5k h LYS 50 Ca 0.71 -0.37 -0.20 0.00 -2.18 0.00 0.00 60.65 58.61 1m5k h LYS 50 Cb 1.64 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 32.39 1m5k h LYS 50 CO -0.66 1.13 -1.82 -1.33 -1.08 0.00 0.00 179.45 175.69 1m5k n MET 51 N -3.47 0.65 -1.51 3.15 2.81 -0.73 -4.96 117.12 113.06 1m5k n MET 51 Ca -0.10 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 1m5k n MET 51 Cb 1.02 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1m5k n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1m5k n ARG 52 N -2.74 0.83 -0.76 0.03 1.85 0.58 -0.86 116.66 115.59 1m5k n ARG 52 Ca -0.16 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1m5k n ARG 52 Cb 0.90 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.64 1m5k n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m5k n GLY 53 N 1.57 0.84 3.29 2.89 0.00 -1.26 -5.01 105.19 107.51 1m5k n GLY 53 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1m5k n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5k s GLN 54 N -0.24 1.30 -0.08 1.61 -0.21 -0.04 -2.28 119.66 119.72 1m5k s GLN 54 Ca 0.00 -1.68 -0.30 0.00 0.02 0.00 0.00 55.36 53.40 1m5k s GLN 54 Cb 0.00 -0.30 0.10 0.00 1.00 0.00 0.00 33.01 33.80 1m5k s GLN 54 CO 0.00 -0.22 0.83 0.00 -2.12 0.00 0.00 175.29 173.78 1m5k s ALA 55 N -3.69 -1.83 -0.14 6.09 0.00 -0.64 -4.39 121.76 117.16 1m5k s ALA 55 Ca 0.32 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1m5k s ALA 55 Cb 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1m5k s ALA 55 CO 0.10 -0.40 -0.22 -0.06 0.00 0.00 0.00 175.76 175.18 1m5k s PHE 56 N -1.50 2.66 -0.38 0.00 0.40 -0.50 -1.35 117.98 117.30 1m5k s PHE 56 Ca -0.05 -1.36 -0.09 0.00 -0.60 0.00 0.00 56.93 54.84 1m5k s PHE 56 Cb -0.00 -1.81 0.05 0.00 0.51 0.00 0.00 43.02 41.77 1m5k s PHE 56 CO 0.03 -0.62 0.20 0.08 0.70 0.00 0.00 175.22 175.60 1m5k s VAL 57 N 0.85 4.16 -0.34 -0.44 1.01 -1.07 -0.35 120.40 124.22 1m5k s VAL 57 Ca -0.06 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 1m5k s VAL 57 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1m5k s VAL 57 CO -0.03 -0.34 0.75 -0.63 0.00 0.00 0.00 175.10 174.85 1m5k s ILE 58 N 1.44 4.79 0.13 2.22 1.01 -0.38 -2.75 121.20 127.67 1m5k s ILE 58 Ca 0.01 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 61.56 1m5k s ILE 58 Cb -0.21 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1m5k s ILE 58 CO 0.03 -0.33 0.35 -0.36 0.00 0.00 0.00 174.94 174.63 1m5k s PHE 59 N 2.96 3.48 0.19 3.97 0.08 -0.75 -0.04 117.98 127.88 1m5k s PHE 59 Ca 0.30 0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.84 1m5k s PHE 59 Cb -0.14 -1.96 0.12 0.00 -0.57 0.00 0.00 43.02 40.47 1m5k s PHE 59 CO 0.15 0.46 1.49 -0.22 -0.10 0.00 0.00 175.22 176.99 1m5k h LYS 60 N 2.83 0.43 -5.44 0.44 3.64 -1.73 -3.44 116.57 113.29 1m5k h LYS 60 Ca -0.46 -0.30 -0.64 0.00 -1.27 0.00 0.00 60.65 57.97 1m5k h LYS 60 Cb 1.16 0.05 -0.32 0.00 -0.41 0.00 0.00 32.23 32.71 1m5k h LYS 60 CO 0.73 0.92 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.75 1m5k s GLU 61 N -3.79 2.53 0.17 1.90 0.41 -1.26 -5.04 118.70 113.61 1m5k s GLU 61 Ca -0.06 -0.79 -0.16 0.00 -0.41 0.00 0.00 54.97 53.55 1m5k s GLU 61 Cb 0.11 -2.03 0.11 0.00 -1.78 0.00 0.00 34.13 30.55 1m5k s GLU 61 CO 0.83 0.23 1.67 0.28 -0.49 0.00 0.00 175.26 177.79 1m5k h VAL 62 N 5.48 0.61 -1.04 2.63 2.07 -1.86 -0.42 116.25 123.71 1m5k h VAL 62 Ca -0.26 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 67.52 1m5k h VAL 62 Cb 1.20 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 1m5k h VAL 62 CO 0.47 0.01 0.70 0.77 0.02 0.00 0.00 177.57 179.54 1m5k h SER 63 N 0.03 0.31 -0.01 0.57 4.64 -1.96 0.49 113.55 117.62 1m5k h SER 63 Ca 0.20 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 1m5k h SER 63 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1m5k h SER 63 CO -0.41 0.07 -0.33 0.28 -0.87 0.00 0.00 176.83 175.57 1m5k h SER 64 N 0.27 0.49 -0.23 4.97 0.02 -1.31 -0.64 113.55 117.12 1m5k h SER 64 Ca 0.56 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 1m5k h SER 64 Cb 1.65 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1m5k h SER 64 CO -0.20 0.80 -0.15 0.00 -1.14 0.00 0.00 176.83 176.14 1m5k h ALA 65 N 1.23 0.33 -0.83 3.77 0.00 0.05 -2.51 119.26 121.31 1m5k h ALA 65 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1m5k h ALA 65 Cb 0.78 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1m5k h ALA 65 CO 0.06 0.22 0.51 1.15 0.00 0.00 0.00 179.25 181.19 1m5k h THR 66 N 0.22 1.23 -0.37 0.00 2.02 -0.99 0.37 112.91 115.39 1m5k h THR 66 Ca 0.05 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 1m5k h THR 66 Cb 0.67 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1m5k h THR 66 CO 0.04 0.23 -0.07 0.78 0.37 0.00 0.00 175.52 176.87 1m5k h ASN 67 N 1.13 0.70 -0.41 4.18 2.35 -1.11 -2.57 115.58 119.86 1m5k h ASN 67 Ca 0.30 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1m5k h ASN 67 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1m5k h ASN 67 CO -0.06 0.89 -0.12 0.00 -1.65 0.00 0.00 177.43 176.49 1m5k h ALA 68 N 0.83 0.89 0.57 -0.83 0.00 -1.22 -0.75 119.26 118.74 1m5k h ALA 68 Ca 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1m5k h ALA 68 Cb 0.58 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1m5k h ALA 68 CO 0.03 0.63 -0.27 1.25 0.00 0.00 0.00 179.25 180.89 1m5k h LEU 69 N 0.78 -0.65 -0.98 0.00 5.85 -0.87 -0.50 115.31 118.95 1m5k h LEU 69 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1m5k h LEU 69 Cb 0.64 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1m5k h LEU 69 CO 0.04 -0.43 0.60 0.03 -0.34 0.00 0.00 178.44 178.34 1m5k h ARG 70 N -0.81 1.30 -0.05 1.25 3.08 -1.42 -2.72 114.38 115.01 1m5k h ARG 70 Ca -0.08 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.66 1m5k h ARG 70 Cb 0.60 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1m5k h ARG 70 CO 0.13 0.89 -0.83 0.77 -1.07 0.00 0.00 179.97 179.86 1m5k h SER 71 N 1.32 0.57 -0.58 7.04 0.02 -1.05 -3.34 113.55 117.53 1m5k h SER 71 Ca 0.35 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1m5k h SER 71 Cb -0.08 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1m5k h SER 71 CO -0.07 1.18 0.00 0.23 -1.14 0.00 0.00 176.83 177.03 1m5k n MET 72 N -3.81 2.64 -1.76 3.45 2.81 -0.21 -4.93 117.12 115.32 1m5k n MET 72 Ca -0.06 -2.45 -0.42 0.00 -1.81 0.00 0.00 57.70 52.96 1m5k n MET 72 Cb 0.77 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.75 1m5k n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1m5k s GLN 73 N -1.12 4.15 -0.04 0.03 2.00 -1.03 -1.90 119.66 121.75 1m5k s GLN 73 Ca 0.42 2.51 0.00 0.00 -2.00 0.00 0.00 55.36 56.29 1m5k s GLN 73 Cb 0.22 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 30.03 1m5k s GLN 73 CO 0.30 -0.90 0.00 0.41 -0.50 0.00 0.00 175.29 174.60 1m5k n GLY 74 N 4.38 0.47 3.72 2.59 0.00 0.28 -4.95 105.19 111.68 1m5k n GLY 74 Ca 0.19 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1m5k n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1m5k s PHE 75 N -1.96 2.97 -0.11 1.61 2.19 -0.80 -4.13 117.98 117.76 1m5k s PHE 75 Ca 0.00 0.49 -0.29 0.00 0.33 0.00 0.00 56.93 57.46 1m5k s PHE 75 Cb 0.00 -4.04 -0.06 0.00 -1.31 0.00 0.00 43.02 37.62 1m5k s PHE 75 CO 0.00 -3.87 1.87 -2.14 1.83 0.00 0.00 175.22 172.91 1m5k s PRO 76 N 1.09 3.83 -0.11 10.12 0.02 -1.26 -1.72 135.00 146.96 1m5k s PRO 76 Ca 0.72 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.88 1m5k s PRO 76 Cb -0.47 -4.14 0.03 0.00 0.02 0.00 0.00 34.50 29.94 1m5k s PRO 76 CO 0.32 -1.28 -0.05 0.12 -0.33 0.00 0.00 177.00 175.78 1m5k s PHE 77 N 5.43 1.25 -1.27 6.54 5.36 -0.67 -4.75 117.98 129.87 1m5k s PHE 77 Ca 0.84 -0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 56.11 1m5k s PHE 77 Cb -0.34 -1.11 0.07 0.00 -0.34 0.00 0.00 43.02 41.30 1m5k s PHE 77 CO 0.35 -0.47 0.47 0.66 -1.46 0.00 0.00 175.22 174.76 1m5k n TYR 78 N 5.00 -1.77 -1.02 10.12 4.01 -1.26 -1.32 117.16 130.92 1m5k n TYR 78 Ca -0.11 0.45 -0.01 0.00 -0.16 0.00 0.00 57.90 58.07 1m5k n TYR 78 Cb 0.50 -2.92 -0.00 0.00 -0.31 0.00 0.00 39.34 36.60 1m5k n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5k n ASP 79 N -2.26 -3.32 -3.93 7.72 9.92 -1.26 -4.81 116.55 118.61 1m5k n ASP 79 Ca -0.02 0.02 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1m5k n ASP 79 Cb 0.54 -0.88 -0.16 0.00 -0.64 0.00 0.00 41.12 39.99 1m5k n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1m5k s LYS 80 N -0.79 0.84 -0.11 -1.24 1.02 -0.43 -5.10 119.74 113.92 1m5k s LYS 80 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 1m5k s LYS 80 Cb 0.00 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 1m5k s LYS 80 CO 0.00 -0.02 1.61 -1.25 -0.92 0.00 0.00 175.35 174.78 1m5k s PRO 81 N 0.64 4.07 0.12 -1.68 0.04 -1.26 -1.67 135.00 135.26 1m5k s PRO 81 Ca -0.09 2.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1m5k s PRO 81 Cb -0.12 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.34 1m5k s PRO 81 CO 0.00 -0.97 1.68 -1.64 0.04 0.00 0.00 177.00 176.12 1m5k s MET 82 N 4.18 4.18 -0.21 4.56 -1.94 -0.70 -4.78 119.30 124.59 1m5k s MET 82 Ca 0.71 2.43 -0.08 0.00 -1.71 0.00 0.00 55.69 57.04 1m5k s MET 82 Cb -0.30 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 1m5k s MET 82 CO 0.28 -0.73 0.09 0.50 -0.01 0.00 0.00 175.02 175.15 1m5k s ARG 83 N 2.08 3.97 -0.05 2.03 3.52 -0.64 0.98 118.95 130.83 1m5k s ARG 83 Ca 0.75 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1m5k s ARG 83 Cb -0.43 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1m5k s ARG 83 CO 0.33 0.16 -0.12 0.42 -0.81 0.00 0.00 175.30 175.28 1m5k s ILE 84 N 0.70 1.09 0.14 4.11 1.01 -1.26 -1.06 121.20 125.93 1m5k s ILE 84 Ca 0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1m5k s ILE 84 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1m5k s ILE 84 CO 0.02 0.34 0.07 0.00 0.00 0.00 0.00 174.94 175.36 1m5k s GLN 85 N 0.52 0.96 0.56 2.79 -2.07 -0.20 -4.99 119.66 117.23 1m5k s GLN 85 Ca -0.11 -1.46 -0.18 0.00 -1.82 0.00 0.00 55.36 51.79 1m5k s GLN 85 Cb -0.14 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1m5k s GLN 85 CO 0.03 -0.28 1.09 0.71 -1.32 0.00 0.00 175.29 175.52 1m5k s TYR 86 N -4.06 2.80 0.54 9.60 2.02 -1.26 0.68 117.35 127.67 1m5k s TYR 86 Ca 0.26 1.55 -0.19 0.00 -0.37 0.00 0.00 57.07 58.31 1m5k s TYR 86 Cb 0.07 -3.16 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1m5k s TYR 86 CO 0.03 -1.33 1.12 0.00 -1.57 0.00 0.00 175.55 173.80 1m5k s ALA 87 N -2.05 2.71 0.14 3.71 0.00 -0.71 -4.42 121.76 121.14 1m5k s ALA 87 Ca 0.69 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 1m5k s ALA 87 Cb -0.20 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1m5k s ALA 87 CO 0.30 -0.74 1.65 0.87 0.00 0.00 0.00 175.76 177.84 1m5k h LYS 88 N 1.18 0.72 -5.01 0.00 1.57 -1.92 -3.45 116.57 109.66 1m5k h LYS 88 Ca -0.50 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 57.80 1m5k h LYS 88 Cb 1.26 -0.10 -0.15 0.00 0.08 0.00 0.00 32.23 33.32 1m5k h LYS 88 CO 0.57 0.70 -0.71 0.95 -0.57 0.00 0.00 179.45 180.39 1m5k s THR 89 N -5.34 1.09 0.57 -0.16 -4.23 -1.26 -4.98 115.64 101.33 1m5k s THR 89 Ca -0.13 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.16 1m5k s THR 89 Cb 0.11 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1m5k s THR 89 CO 0.78 -0.75 1.36 0.47 -0.54 0.00 0.00 174.62 175.94 1m5k n ASP 90 N -0.11 2.62 -4.81 3.99 8.00 -1.26 -4.98 116.55 120.00 1m5k n ASP 90 Ca -0.11 0.95 -0.33 0.00 0.71 0.00 0.00 54.79 56.01 1m5k n ASP 90 Cb 0.60 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.08 1m5k n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1m5k s SER 91 N -1.00 6.61 0.21 -2.24 0.01 -1.26 -4.80 113.70 111.23 1m5k s SER 91 Ca 0.74 1.76 -0.12 0.00 1.31 0.00 0.00 55.95 59.63 1m5k s SER 91 Cb -0.41 -2.54 0.25 0.00 0.21 0.00 0.00 66.02 63.54 1m5k s SER 91 CO 0.47 -0.60 1.65 0.44 0.41 0.00 0.00 173.24 175.62 1m5k h ASP 92 N 1.52 -0.41 0.11 2.44 3.32 -1.99 0.99 116.42 122.40 1m5k h ASP 92 Ca -0.49 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1m5k h ASP 92 Cb 1.20 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1m5k h ASP 92 CO 0.60 -0.16 0.00 2.30 -1.72 0.00 0.00 179.24 180.26 1m5k n ILE 93 N -5.34 1.75 -0.12 0.35 -5.35 -1.26 -0.19 119.36 109.20 1m5k n ILE 93 Ca 0.08 0.44 -0.19 0.00 -0.27 0.00 0.00 62.75 62.80 1m5k n ILE 93 Cb 0.33 -1.38 -0.12 0.00 -1.74 0.00 0.00 39.64 36.73 1m5k n ILE 93 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1m5k n ILE 94 N -1.49 1.53 0.16 7.28 2.08 0.24 -4.26 119.36 124.89 1m5k n ILE 94 Ca 0.01 -0.56 -0.12 0.00 0.56 0.00 0.00 62.75 62.64 1m5k n ILE 94 Cb 0.04 -1.50 -0.07 0.00 -0.75 0.00 0.00 39.64 37.36 1m5k n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1m5k h ALA 95 N -0.08 -0.46 0.00 -1.39 0.00 -0.46 -2.97 119.26 113.91 1m5k h ALA 95 Ca -0.57 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1m5k h ALA 95 Cb 1.89 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1m5k h ALA 95 CO -0.10 -0.53 0.00 1.63 0.00 0.00 0.00 179.25 180.26 1m5k n LYS 96 N -5.11 0.13 0.00 0.00 4.01 0.74 -5.10 118.16 112.82 1m5k n LYS 96 Ca -0.09 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.76 1m5k n LYS 96 Cb 0.27 -1.05 0.04 0.00 -0.51 0.00 0.00 35.03 33.78 1m5k n LYS 96 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17