#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diu s SER 2 N 0.00 5.99 -0.22 1.61 1.04 -1.26 -4.88 113.70 115.98 2diu s SER 2 Ca 0.00 -1.82 -0.02 0.00 0.48 0.00 0.00 55.95 54.59 2diu s SER 2 Cb 0.00 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.61 2diu s SER 2 CO 0.00 -2.04 0.04 -0.94 0.98 0.00 0.00 173.24 171.27 2diu s SER 3 N 5.55 3.28 -0.37 7.02 1.04 -1.26 -5.07 113.70 123.89 2diu s SER 3 Ca 0.59 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2diu s SER 3 Cb 0.01 -0.73 0.16 0.00 0.10 0.00 0.00 66.02 65.55 2diu s SER 3 CO 0.06 -0.32 0.37 -0.83 0.98 0.00 0.00 173.24 173.50 2diu s GLY 4 N 1.75 0.02 -0.23 7.32 0.00 -1.26 -5.11 107.32 109.81 2diu s GLY 4 Ca 0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 44.72 43.40 2diu s GLY 4 CO -0.12 2.71 1.89 -1.35 0.00 0.00 0.00 173.10 176.23 2diu s SER 5 N 1.38 5.97 0.26 1.64 1.04 -1.26 -4.93 113.70 117.80 2diu s SER 5 Ca 0.17 1.71 -0.18 0.00 0.48 0.00 0.00 55.95 58.14 2diu s SER 5 Cb -0.16 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.45 2diu s SER 5 CO -0.02 -1.58 0.62 -0.44 0.98 0.00 0.00 173.24 172.79 2diu s SER 6 N 6.01 -0.19 -0.29 7.02 0.01 -1.26 -5.15 113.70 119.84 2diu s SER 6 Ca 0.84 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 57.40 2diu s SER 6 Cb -0.28 0.67 0.20 0.00 0.21 0.00 0.00 66.02 66.81 2diu s SER 6 CO 0.34 -1.26 0.62 -0.83 0.41 0.00 0.00 173.24 172.52 2diu s GLY 7 N -2.96 -1.17 0.44 3.44 0.00 -1.26 -5.16 107.32 100.65 2diu s GLY 7 Ca 0.16 1.33 -0.05 0.00 0.00 0.00 0.00 44.72 46.15 2diu s GLY 7 CO 0.07 3.63 0.74 0.00 0.00 0.00 0.00 173.10 177.55 2diu s HIS 9 N -2.59 3.48 -0.22 0.00 0.09 -1.25 -4.43 115.29 110.37 2diu s HIS 9 Ca 0.47 0.55 0.01 0.00 -0.00 0.00 0.00 55.06 56.09 2diu s HIS 9 Cb -0.10 -2.02 0.05 0.00 -0.00 0.00 0.00 32.58 30.51 2diu s HIS 9 CO 0.41 0.26 -0.09 0.99 -0.00 0.00 0.00 174.74 176.30 2diu s THR 10 N -1.98 1.72 0.09 1.30 2.01 0.47 -4.94 115.64 114.31 2diu s THR 10 Ca 0.42 -1.19 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 2diu s THR 10 Cb -0.11 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2diu s THR 10 CO 0.29 0.06 0.34 -0.76 -0.69 0.00 0.00 174.62 173.86 2diu s LEU 11 N 1.34 4.31 0.21 4.42 1.43 -1.26 0.63 118.68 129.76 2diu s LEU 11 Ca -0.04 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2diu s LEU 11 Cb -0.18 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2diu s LEU 11 CO -0.07 0.13 -0.00 -0.76 0.23 0.00 0.00 176.35 175.88 2diu s LEU 12 N -2.29 3.26 -0.24 1.79 1.43 0.82 -4.78 118.68 118.66 2diu s LEU 12 Ca 0.36 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2diu s LEU 12 Cb -0.13 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2diu s LEU 12 CO 0.22 0.06 -0.05 -0.31 0.23 0.00 0.00 176.35 176.49 2diu s TYR 13 N -1.92 2.57 0.18 0.29 2.02 0.32 -1.00 117.35 119.81 2diu s TYR 13 Ca 0.28 -1.89 -0.11 0.00 -0.37 0.00 0.00 57.07 54.98 2diu s TYR 13 Cb -0.08 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.72 2diu s TYR 13 CO 0.19 -0.80 0.52 0.08 -1.57 0.00 0.00 175.55 173.97 2diu s VAL 14 N 1.34 4.93 0.21 0.71 1.01 0.11 -0.58 120.40 128.13 2diu s VAL 14 Ca -0.05 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 2diu s VAL 14 Cb -0.19 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2diu s VAL 14 CO -0.06 0.09 0.16 -0.31 0.00 0.00 0.00 175.10 174.97 2diu s TYR 15 N -1.64 1.19 -1.06 5.22 1.51 0.13 -0.90 117.35 121.81 2diu s TYR 15 Ca 0.42 -1.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 2diu s TYR 15 Cb -0.13 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 2diu s TYR 15 CO 0.20 -0.68 0.90 -1.71 -1.11 0.00 0.00 175.55 173.16 2diu n ASN 16 N -0.40 -3.30 -4.91 2.29 2.85 -0.90 -1.41 115.26 109.48 2diu n ASN 16 Ca 0.02 -0.60 -0.30 0.00 -0.11 0.00 0.00 54.58 53.60 2diu n ASN 16 Cb 0.66 -4.79 -0.04 0.00 1.24 0.00 0.00 39.78 36.84 2diu n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2diu s LEU 17 N -5.78 4.25 -1.17 1.20 1.43 -0.57 -4.38 118.68 113.66 2diu s LEU 17 Ca 0.13 0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 53.51 2diu s LEU 17 Cb -0.02 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 2diu s LEU 17 CO 0.68 0.01 1.93 -2.16 0.23 0.00 0.00 176.35 177.05 2diu s PRO 18 N -2.91 2.50 0.26 1.29 0.04 -1.26 -4.75 135.00 130.17 2diu s PRO 18 Ca 0.40 -1.13 -0.04 0.00 0.04 0.00 0.00 61.00 60.27 2diu s PRO 18 Cb -0.12 -5.24 0.53 0.00 0.04 0.00 0.00 34.50 29.72 2diu s PRO 18 CO 0.27 -3.96 1.62 0.00 0.04 0.00 0.00 177.00 174.97 2diu h ALA 19 N 9.79 0.92 -0.48 8.56 0.00 -1.94 0.95 119.26 137.07 2diu h ALA 19 Ca 0.21 0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.48 2diu h ALA 19 Cb 0.94 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2diu h ALA 19 CO 1.22 -0.45 -0.08 -0.91 0.00 0.00 0.00 179.25 179.03 2diu h ASN 20 N 0.10 -0.37 -2.94 0.00 4.21 -2.01 -3.41 115.58 111.17 2diu h ASN 20 Ca 0.47 0.13 -0.55 0.00 1.21 0.00 0.00 56.30 57.56 2diu h ASN 20 Cb 0.87 0.27 0.08 0.00 -1.12 0.00 0.00 38.32 38.42 2diu h ASN 20 CO -0.72 -0.13 0.83 0.29 -1.29 0.00 0.00 177.43 176.41 2diu n LYS 21 N -5.31 2.50 -1.90 0.81 4.76 0.33 -4.90 118.16 114.45 2diu n LYS 21 Ca 0.04 0.89 -0.42 0.00 -2.87 0.00 0.00 58.31 55.95 2diu n LYS 21 Cb 0.26 -2.65 -0.03 0.00 -1.84 0.00 0.00 35.03 30.77 2diu n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2diu s ASP 22 N 0.59 6.55 0.17 4.39 2.15 -1.26 -4.75 116.67 124.51 2diu s ASP 22 Ca 0.68 2.64 -0.15 0.00 0.43 0.00 0.00 52.55 56.15 2diu s ASP 22 Cb -0.55 -2.59 0.16 0.00 -0.30 0.00 0.00 42.92 39.64 2diu s ASP 22 CO 0.45 -0.86 1.20 0.61 -0.17 0.00 0.00 175.17 176.40 2diu n GLY 23 N 3.85 -1.65 0.34 2.66 0.00 -1.26 0.11 105.19 109.23 2diu n GLY 23 Ca 0.15 0.87 0.18 0.00 0.00 0.00 0.00 46.02 47.21 2diu n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2diu h LYS 24 N 0.00 0.01 -0.03 1.61 1.79 -1.99 0.55 116.57 118.50 2diu h LYS 24 Ca 0.25 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 2diu h LYS 24 Cb 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2diu h LYS 24 CO -0.76 0.01 -0.06 0.77 -1.08 0.00 0.00 179.45 178.32 2diu h SER 25 N 0.01 0.11 0.55 0.86 0.02 0.41 -3.13 113.55 112.37 2diu h SER 25 Ca 0.64 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2diu h SER 25 Cb 1.41 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 2diu h SER 25 CO -0.90 0.65 -0.37 0.58 -1.14 0.00 0.00 176.83 175.65 2diu h VAL 26 N -0.42 0.00 -0.04 2.27 2.07 0.22 -2.93 116.25 117.42 2diu h VAL 26 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2diu h VAL 26 Cb 0.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2diu h VAL 26 CO 0.01 0.00 -0.02 -1.54 0.02 0.00 0.00 177.57 176.04 2diu n SER 27 N -4.73 -0.04 -0.30 0.57 3.41 0.16 -1.24 113.62 111.46 2diu n SER 27 Ca -0.11 0.99 -0.08 0.00 -0.26 0.00 0.00 58.87 59.41 2diu n SER 27 Cb 0.37 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 2diu n SER 27 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2diu n ASN 28 N -3.04 -0.75 -0.30 4.04 5.15 -1.18 0.15 115.26 119.32 2diu n ASN 28 Ca 0.00 1.27 0.10 0.00 -0.60 0.00 0.00 54.58 55.35 2diu n ASN 28 Cb 0.01 -0.17 0.23 0.00 -0.53 0.00 0.00 39.78 39.33 2diu n ASN 28 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2diu h ARG 29 N 0.00 0.08 -0.01 1.20 9.65 -0.98 -0.03 114.38 124.29 2diu h ARG 29 Ca 0.11 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2diu h ARG 29 Cb 0.29 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2diu h ARG 29 CO -0.66 0.05 -0.01 -0.07 2.80 0.00 0.00 179.97 182.08 2diu h LEU 30 N 0.08 0.03 -0.75 3.80 4.07 0.18 -3.26 115.31 119.46 2diu h LEU 30 Ca 0.52 -0.51 0.14 0.00 0.08 0.00 0.00 57.88 58.11 2diu h LEU 30 Cb 1.00 -0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.60 2diu h LEU 30 CO -0.78 0.53 -0.21 0.54 -1.08 0.00 0.00 178.44 177.44 2diu n ARG 31 N -4.82 -0.09 -0.15 1.13 1.74 0.80 0.18 116.66 115.45 2diu n ARG 31 Ca -0.08 1.17 -0.06 0.00 -0.77 0.00 0.00 57.85 58.11 2diu n ARG 31 Cb 0.27 -1.74 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 2diu n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diu h ARG 32 N 0.00 0.48 0.00 5.56 2.47 -1.51 0.42 114.38 121.80 2diu h ARG 32 Ca 0.34 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2diu h ARG 32 Cb 0.53 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2diu h ARG 32 CO -0.77 0.32 -0.01 -0.07 0.56 0.00 0.00 179.97 180.01 2diu h LEU 33 N 0.50 0.00 0.02 3.04 3.38 0.19 -1.74 115.31 120.70 2diu h LEU 33 Ca 0.20 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 2diu h LEU 33 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2diu h LEU 33 CO -0.12 0.01 -1.50 -1.28 0.09 0.00 0.00 178.44 175.64 2diu h SER 34 N 0.00 0.08 -0.11 -0.43 0.87 0.09 -3.03 113.55 111.03 2diu h SER 34 Ca -0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2diu h SER 34 Cb 0.01 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2diu h SER 34 CO 0.00 1.10 0.04 -0.78 -0.53 0.00 0.00 176.83 176.67 2diu h ASP 35 N 0.01 0.14 0.48 6.23 1.82 0.63 1.92 116.42 127.65 2diu h ASP 35 Ca -0.21 -0.16 -0.13 0.00 -0.39 0.00 0.00 57.03 56.14 2diu h ASP 35 Cb 1.95 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.90 2diu h ASP 35 CO 0.11 0.26 -0.59 -1.13 -1.61 0.00 0.00 179.24 176.28 2diu h ASN 36 N 0.02 0.13 -0.73 2.28 -1.24 -1.53 -2.96 115.58 111.55 2diu h ASN 36 Ca 0.04 -0.07 -0.35 0.00 0.71 0.00 0.00 56.30 56.62 2diu h ASN 36 Cb 0.16 -0.04 -0.21 0.00 0.73 0.00 0.00 38.32 38.96 2diu h ASN 36 CO -0.00 0.69 0.45 0.00 -1.29 0.00 0.00 177.43 177.28 2diu n GLY 38 N -0.63 -0.84 3.76 0.00 0.00 -0.57 -4.46 105.19 102.46 2diu n GLY 38 Ca 0.43 0.81 -0.10 0.00 0.00 0.00 0.00 46.02 47.16 2diu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2diu s GLY 39 N -2.49 0.53 -0.16 -0.02 0.00 0.64 -4.12 107.32 101.69 2diu s GLY 39 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 2diu s GLY 39 CO 0.87 -0.41 0.37 1.25 0.00 0.00 0.00 173.10 175.18 2diu s LYS 40 N -2.49 0.31 -0.76 2.90 2.20 -0.41 -4.03 119.74 117.46 2diu s LYS 40 Ca 0.18 0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 56.36 2diu s LYS 40 Cb -0.04 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 2diu s LYS 40 CO 0.13 -0.21 1.95 0.54 -0.36 0.00 0.00 175.35 177.40 2diu s VAL 41 N 1.94 3.37 0.11 4.02 0.11 -1.26 -0.60 120.40 128.09 2diu s VAL 41 Ca -0.05 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.59 2diu s VAL 41 Cb -0.10 -3.90 -0.10 0.00 -1.53 0.00 0.00 36.38 30.75 2diu s VAL 41 CO -0.12 -0.86 1.59 -0.07 -3.33 0.00 0.00 175.10 172.32 2diu h LEU 42 N 17.55 -1.17 -7.83 2.54 3.38 -1.47 -3.46 115.31 124.85 2diu h LEU 42 Ca -0.06 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2diu h LEU 42 Cb 1.08 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 2diu h LEU 42 CO 1.20 -0.47 0.08 -0.44 0.09 0.00 0.00 178.44 178.90 2diu s SER 43 N -4.72 -0.25 -0.26 -0.43 0.01 -1.11 -5.05 113.70 101.89 2diu s SER 43 Ca -0.16 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.51 2diu s SER 43 Cb 0.08 0.63 0.08 0.00 0.21 0.00 0.00 66.02 67.02 2diu s SER 43 CO 0.63 -1.16 0.08 -0.63 0.41 0.00 0.00 173.24 172.57 2diu s ILE 44 N -3.91 0.59 -0.11 1.44 1.01 -1.26 -1.47 121.20 117.49 2diu s ILE 44 Ca 0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 2diu s ILE 44 Cb -0.03 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2diu s ILE 44 CO 0.02 -0.50 0.03 0.42 0.00 0.00 0.00 174.94 174.91 2diu s THR 45 N 1.79 4.53 0.00 2.92 -4.23 -0.57 -4.97 115.64 115.11 2diu s THR 45 Ca 0.05 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2diu s THR 45 Cb -0.17 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2diu s THR 45 CO -0.20 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2diu n GLY 46 N 2.46 1.34 0.61 3.99 0.00 -1.26 -0.08 105.19 112.25 2diu n GLY 46 Ca -0.18 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2diu n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diu s SER 48 N -0.40 2.79 0.04 0.00 1.04 0.88 -1.51 113.70 116.54 2diu s SER 48 Ca 0.10 -1.17 -0.10 0.00 0.48 0.00 0.00 55.95 55.26 2diu s SER 48 Cb 0.07 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2diu s SER 48 CO 0.04 -0.31 0.20 0.00 0.98 0.00 0.00 173.24 174.15 2diu s ALA 49 N -2.99 -0.38 -0.16 5.32 0.00 -0.08 -1.51 121.76 121.97 2diu s ALA 49 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2diu s ALA 49 Cb 0.03 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.48 2diu s ALA 49 CO 0.12 -0.38 -0.11 0.42 0.00 0.00 0.00 175.76 175.81 2diu s ILE 50 N -2.66 1.44 0.24 0.00 1.01 -0.54 0.06 121.20 120.75 2diu s ILE 50 Ca -0.04 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.98 2diu s ILE 50 Cb -0.01 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2diu s ILE 50 CO -0.04 0.30 0.14 -0.76 0.00 0.00 0.00 174.94 174.57 2diu s LEU 51 N 1.51 3.66 -0.12 2.97 1.02 -0.17 -1.17 118.68 126.37 2diu s LEU 51 Ca 0.02 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.87 2diu s LEU 51 Cb -0.14 -2.21 0.01 0.00 0.02 0.00 0.00 46.19 43.87 2diu s LEU 51 CO -0.09 -0.01 -0.19 -0.60 0.02 0.00 0.00 176.35 175.48 2diu s ARG 52 N -3.64 2.65 0.21 1.70 3.52 0.23 -0.12 118.95 123.49 2diu s ARG 52 Ca 0.32 -0.72 0.11 0.00 -0.13 0.00 0.00 55.73 55.31 2diu s ARG 52 Cb -0.08 -2.18 -0.05 0.00 -1.56 0.00 0.00 34.95 31.08 2diu s ARG 52 CO 0.23 -0.03 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.41 2diu s PHE 53 N 0.89 2.22 0.06 5.12 0.40 0.21 -1.28 117.98 125.60 2diu s PHE 53 Ca -0.07 -0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 55.63 2diu s PHE 53 Cb -0.15 -1.07 -0.17 0.00 0.51 0.00 0.00 43.02 42.14 2diu s PHE 53 CO -0.02 0.52 1.61 0.97 0.70 0.00 0.00 175.22 179.00 2diu h ILE 54 N 2.99 0.88 -4.52 0.64 2.10 -1.81 0.13 117.51 117.93 2diu h ILE 54 Ca -0.44 -0.20 -0.26 0.00 1.08 0.00 0.00 64.86 65.04 2diu h ILE 54 Cb 1.22 1.01 -0.14 0.00 -1.09 0.00 0.00 36.82 37.82 2diu h ILE 54 CO 0.51 0.05 -0.53 0.20 -1.08 0.00 0.00 178.15 177.30 2diu s ASN 55 N -5.08 0.39 0.18 2.19 0.01 -1.26 -3.90 114.94 107.47 2diu s ASN 55 Ca -0.14 -1.40 -0.20 0.00 -0.71 0.00 0.00 52.86 50.41 2diu s ASN 55 Cb 0.05 0.44 0.11 0.00 0.41 0.00 0.00 41.25 42.25 2diu s ASN 55 CO 0.64 -0.93 1.62 -0.61 -1.51 0.00 0.00 177.10 176.31 2diu h GLN 56 N 2.49 -0.15 0.00 -0.60 4.15 -1.90 -1.64 115.11 117.45 2diu h GLN 56 Ca -0.33 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2diu h GLN 56 Cb 1.25 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2diu h GLN 56 CO 0.48 -0.10 0.00 -3.47 -1.93 0.00 0.00 178.83 173.81 2diu n ASP 57 N -5.41 0.00 -0.36 -0.69 2.03 -1.26 0.64 116.55 111.50 2diu n ASP 57 Ca 0.03 0.98 0.36 0.00 0.52 0.00 0.00 54.79 56.68 2diu n ASP 57 Cb 0.32 -0.48 0.73 0.00 -0.72 0.00 0.00 41.12 40.97 2diu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2diu h SER 58 N 0.00 0.05 0.86 1.67 0.02 -1.79 1.12 113.55 115.49 2diu h SER 58 Ca 0.00 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.79 2diu h SER 58 Cb 0.00 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2diu h SER 58 CO 0.00 0.00 -0.81 0.00 -1.14 0.00 0.00 176.83 174.88 2diu h ALA 59 N 1.40 0.63 0.31 3.77 0.00 0.50 -3.32 119.26 122.56 2diu h ALA 59 Ca 0.60 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2diu h ALA 59 Cb 2.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2diu h ALA 59 CO -0.05 1.02 -0.15 0.93 0.00 0.00 0.00 179.25 181.00 2diu h GLU 60 N 0.00 -0.41 -0.96 0.00 5.08 0.70 0.31 114.58 119.31 2diu h GLU 60 Ca -0.01 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.66 2diu h GLU 60 Cb 1.46 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 2diu h GLU 60 CO 0.11 -0.27 1.19 0.00 -1.00 0.00 0.00 179.01 179.04 2diu h ARG 61 N -0.59 0.00 0.05 2.33 3.08 -1.61 1.99 114.38 119.63 2diu h ARG 61 Ca -0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.66 2diu h ARG 61 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2diu h ARG 61 CO 0.07 0.00 -1.99 0.00 -1.07 0.00 0.00 179.97 176.98 2diu n ALA 62 N -2.20 1.23 0.06 0.04 0.00 -1.14 -2.82 120.51 115.68 2diu n ALA 62 Ca 0.21 -0.79 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 2diu n ALA 62 Cb 1.48 -0.63 0.08 0.00 0.00 0.00 0.00 19.45 20.39 2diu n ALA 62 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2diu h GLN 63 N 0.03 0.36 0.03 0.00 -0.00 0.52 -0.79 115.11 115.27 2diu h GLN 63 Ca -0.40 -0.25 -0.25 0.00 -0.00 0.00 0.00 58.65 57.74 2diu h GLN 63 Cb 2.03 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 29.53 2diu h GLN 63 CO 0.06 0.87 -1.26 1.57 0.00 0.00 0.00 178.83 180.06 2diu h LYS 64 N 0.27 0.07 0.17 1.69 5.09 -0.70 -3.14 116.57 120.02 2diu h LYS 64 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 2diu h LYS 64 Cb 1.15 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.53 2diu h LYS 64 CO 0.10 0.94 -0.08 -0.09 -2.09 0.00 0.00 179.45 178.23 2diu h ARG 65 N 0.02 -0.23 -0.32 0.07 9.65 -1.50 -3.28 114.38 118.79 2diu h ARG 65 Ca -0.12 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2diu h ARG 65 Cb 1.88 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 30.43 2diu h ARG 65 CO 0.13 -0.15 -0.42 0.52 2.80 0.00 0.00 179.97 182.86 2diu h MET 66 N -0.83 -0.35 -0.96 0.20 2.86 -1.32 0.66 114.93 115.18 2diu h MET 66 Ca -0.02 0.02 0.37 0.00 -2.06 0.00 0.00 59.70 58.01 2diu h MET 66 Cb 0.18 0.08 -0.17 0.00 0.06 0.00 0.00 31.60 31.75 2diu h MET 66 CO 0.04 -0.24 0.41 -0.85 1.06 0.00 0.00 176.91 177.33 2diu n GLU 67 N -5.42 -0.06 0.02 1.72 0.28 -1.19 0.17 120.64 116.17 2diu n GLU 67 Ca -0.01 1.35 -0.04 0.00 -0.16 0.00 0.00 57.16 58.30 2diu n GLU 67 Cb 0.35 -2.36 -0.10 0.00 1.43 0.00 0.00 31.44 30.77 2diu n GLU 67 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2diu h ASN 68 N 0.00 0.00 -3.59 -1.84 -0.26 -1.01 -3.39 115.58 105.50 2diu h ASN 68 Ca 0.76 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 56.04 2diu h ASN 68 Cb 1.94 0.00 0.21 0.00 -1.06 0.00 0.00 38.32 39.41 2diu h ASN 68 CO -0.77 0.77 0.08 -0.70 -1.06 0.00 0.00 177.43 175.75 2diu s GLU 69 N -2.78 -0.31 -0.46 0.81 2.56 0.46 -4.87 118.70 114.11 2diu s GLU 69 Ca -0.03 1.06 0.02 0.00 0.00 0.00 0.00 54.97 56.03 2diu s GLU 69 Cb 0.08 -1.61 0.14 0.00 2.00 0.00 0.00 34.13 34.75 2diu s GLU 69 CO 0.81 -3.38 0.27 0.16 -0.56 0.00 0.00 175.26 172.56 2diu s ASP 70 N -2.58 3.53 0.21 -1.70 -4.77 -1.26 -3.13 116.67 106.97 2diu s ASP 70 Ca 0.68 -2.76 -0.09 0.00 -3.30 0.00 0.00 52.55 47.08 2diu s ASP 70 Cb -0.24 -1.01 0.31 0.00 -1.09 0.00 0.00 42.92 40.88 2diu s ASP 70 CO 0.62 -0.24 1.24 0.55 0.70 0.00 0.00 175.17 178.05 2diu n VAL 71 N 3.36 -0.36 -3.15 2.11 3.14 -1.18 -4.30 118.33 117.94 2diu n VAL 71 Ca 0.12 1.84 0.05 0.00 -2.96 0.00 0.00 64.34 63.39 2diu n VAL 71 Cb 0.36 -2.51 -0.01 0.00 -1.06 0.00 0.00 33.84 30.62 2diu n VAL 71 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2diu s PHE 72 N -5.92 -1.11 -0.16 1.45 0.08 -1.26 -4.93 117.98 106.12 2diu s PHE 72 Ca -0.12 0.95 0.00 0.00 0.12 0.00 0.00 56.93 57.88 2diu s PHE 72 Cb 0.20 0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 2diu s PHE 72 CO 0.61 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 2diu n GLY 73 N 5.38 -0.05 3.32 4.36 0.00 -1.26 -4.82 105.19 112.13 2diu n GLY 73 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2diu n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2diu s ASN 74 N -1.40 -0.57 -0.02 1.61 2.47 -1.26 -5.14 114.94 110.62 2diu s ASN 74 Ca 0.00 0.97 -0.30 0.00 0.42 0.00 0.00 52.86 53.95 2diu s ASN 74 Cb 0.00 0.85 -0.04 0.00 -1.45 0.00 0.00 41.25 40.61 2diu s ASN 74 CO 0.00 -0.20 1.23 -0.60 -3.72 0.00 0.00 177.10 173.81 2diu s ARG 75 N 1.39 4.36 0.21 0.43 6.06 -1.26 -3.10 118.95 127.03 2diu s ARG 75 Ca -0.09 1.73 0.02 0.00 -2.50 0.00 0.00 55.73 54.89 2diu s ARG 75 Cb -0.08 -3.52 -0.04 0.00 0.06 0.00 0.00 34.95 31.38 2diu s ARG 75 CO -0.13 -0.42 0.36 0.96 -2.50 0.00 0.00 175.30 173.57 2diu s ILE 76 N 2.00 5.25 0.10 4.11 -4.36 -1.18 -4.86 121.20 122.25 2diu s ILE 76 Ca 0.58 -0.63 0.09 0.00 -0.26 0.00 0.00 60.65 60.42 2diu s ILE 76 Cb -0.27 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.63 2diu s ILE 76 CO 0.24 -0.22 -0.18 -0.63 0.24 0.00 0.00 174.94 174.38 2diu s ILE 77 N -1.90 2.80 -0.06 8.37 1.01 -0.50 -3.91 121.20 127.01 2diu s ILE 77 Ca 0.36 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2diu s ILE 77 Cb -0.10 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.14 2diu s ILE 77 CO 0.30 0.16 -0.03 -0.69 0.00 0.00 0.00 174.94 174.68 2diu s VAL 78 N -1.08 0.51 0.04 2.92 1.01 -1.26 0.22 120.40 122.77 2diu s VAL 78 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2diu s VAL 78 Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2diu s VAL 78 CO 0.09 0.25 -0.09 -0.55 0.00 0.00 0.00 175.10 174.79 2diu s SER 79 N 1.32 1.02 0.22 3.32 0.15 0.25 -4.88 113.70 115.11 2diu s SER 79 Ca -0.05 -0.52 0.11 0.00 0.70 0.00 0.00 55.95 56.20 2diu s SER 79 Cb -0.13 0.00 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 2diu s SER 79 CO -0.02 -0.15 1.44 -0.26 1.20 0.00 0.00 173.24 175.45 2diu h PHE 80 N 4.61 0.00 -2.34 3.44 -1.00 -1.86 0.94 116.94 120.73 2diu h PHE 80 Ca -0.36 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.88 2diu h PHE 80 Cb 1.20 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.69 2diu h PHE 80 CO 0.62 0.72 -0.57 0.95 -1.61 0.00 0.00 178.31 178.42 2diu s THR 81 N -3.03 4.21 0.65 -1.55 -4.23 -1.26 -4.74 115.64 105.69 2diu s THR 81 Ca 0.01 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2diu s THR 81 Cb 0.10 -3.23 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 2diu s THR 81 CO 0.77 -0.29 1.11 -2.16 -0.54 0.00 0.00 174.62 173.51 2diu s PRO 82 N -3.61 2.82 -0.07 3.99 0.04 -1.26 -4.88 135.00 132.04 2diu s PRO 82 Ca 0.32 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.77 2diu s PRO 82 Cb -0.08 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2diu s PRO 82 CO 0.23 -1.23 -0.03 1.63 0.04 0.00 0.00 177.00 177.64 2diu n LYS 83 N -2.38 1.40 -0.10 4.56 5.02 -1.26 -4.62 118.16 120.77 2diu n LYS 83 Ca 0.10 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 2diu n LYS 83 Cb 0.52 -1.15 0.46 0.00 -0.02 0.00 0.00 35.03 34.84 2diu n LYS 83 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2diu h ASN 84 N 0.00 0.44 -5.58 4.39 4.21 -2.04 -3.44 115.58 113.56 2diu h ASN 84 Ca -0.16 0.01 -0.28 0.00 1.21 0.00 0.00 56.30 57.07 2diu h ASN 84 Cb 1.29 -0.09 -0.11 0.00 -1.12 0.00 0.00 38.32 38.30 2diu h ASN 84 CO -0.01 0.27 -0.33 -0.13 -1.29 0.00 0.00 177.43 175.95 2diu s ARG 85 N -5.46 1.70 -0.13 0.81 1.81 -1.26 -5.17 118.95 111.24 2diu s ARG 85 Ca -0.08 -1.73 -0.07 0.00 -1.72 0.00 0.00 55.73 52.13 2diu s ARG 85 Cb 0.20 0.39 0.05 0.00 -0.45 0.00 0.00 34.95 35.14 2diu s ARG 85 CO 0.75 -0.67 0.31 -1.21 -0.68 0.00 0.00 175.30 173.81 2diu s GLU 86 N -3.47 0.28 0.00 3.54 2.02 -1.26 -4.66 118.70 115.15 2diu s GLU 86 Ca 0.33 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.97 2diu s GLU 86 Cb 0.02 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.17 2diu s GLU 86 CO 0.19 -0.17 0.00 1.47 0.02 0.00 0.00 175.26 176.77 2diu n LEU 87 N 4.31 0.54 -4.65 1.80 -0.00 -1.26 -5.05 117.00 112.69 2diu n LEU 87 Ca -0.24 0.00 -0.46 0.00 -0.00 0.00 0.00 56.01 55.31 2diu n LEU 87 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 2diu n LEU 87 CO 0.11 0.09 1.60 0.00 -0.00 0.00 0.00 177.39 179.19 2diu s GLU 89 N 4.65 4.56 -0.82 0.00 2.56 -1.26 -5.01 118.70 123.39 2diu s GLU 89 Ca 0.94 1.19 -0.18 0.00 0.00 0.00 0.00 54.97 56.91 2diu s GLU 89 Cb -0.58 -3.36 0.13 0.00 2.00 0.00 0.00 34.13 32.32 2diu s GLU 89 CO 0.47 0.27 0.97 0.95 -0.56 0.00 0.00 175.26 177.36 2diu s THR 90 N -0.08 4.84 0.38 -1.70 -4.23 -1.26 -5.02 115.64 108.58 2diu s THR 90 Ca 0.41 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2diu s THR 90 Cb -0.21 -4.66 -0.01 0.00 1.34 0.00 0.00 72.50 68.95 2diu s THR 90 CO 0.25 -1.35 0.47 -0.44 -0.54 0.00 0.00 174.62 173.00 2diu s SER 91 N 3.39 5.57 0.00 3.99 0.01 -1.26 -5.14 113.70 120.26 2diu s SER 91 Ca 0.25 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2diu s SER 91 Cb -0.11 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2diu s SER 91 CO -0.04 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2diu n GLY 92 N -1.67 2.21 3.72 3.44 0.00 -1.26 -5.06 105.19 106.58 2diu n GLY 92 Ca 0.04 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2diu n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diu s PRO 93 N 3.13 4.35 -0.07 1.61 0.04 -1.26 -5.03 135.00 137.77 2diu s PRO 93 Ca 0.00 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2diu s PRO 93 Cb 0.00 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2diu s PRO 93 CO 0.00 -0.37 -0.23 -1.12 0.04 0.00 0.00 177.00 175.32 2diu s SER 94 N 0.89 3.19 -0.30 6.66 0.01 -1.26 -5.10 113.70 117.79 2diu s SER 94 Ca 0.62 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 57.22 2diu s SER 94 Cb -0.36 -0.98 0.18 0.00 0.21 0.00 0.00 66.02 65.07 2diu s SER 94 CO 0.32 0.23 1.15 -0.55 0.41 0.00 0.00 173.24 174.81 2diu s SER 95 N -0.08 -0.26 0.00 2.44 0.15 -1.26 -5.33 113.70 109.36 2diu s SER 95 Ca -0.06 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2diu s SER 95 Cb -0.14 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 2diu s SER 95 CO 0.04 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.04