#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pas n ALA 2 N 0.00 2.69 0.97 0.00 0.00 -1.26 -4.45 120.51 118.47 2pas n ALA 2 Ca 0.00 -1.93 0.12 0.00 0.00 0.00 0.00 53.44 51.63 2pas n ALA 2 Cb 0.00 -0.60 0.24 0.00 0.00 0.00 0.00 19.45 19.10 2pas n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pas n LYS 3 N -0.23 0.02 0.26 0.00 5.02 -1.26 -3.80 118.16 118.16 2pas n LYS 3 Ca 0.18 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 2pas n LYS 3 Cb 0.73 -1.51 0.68 0.00 -0.02 0.00 0.00 35.03 34.91 2pas n LYS 3 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2pas h ASP 4 N 0.00 0.00 0.12 4.39 5.19 -1.97 -2.93 116.42 121.22 2pas h ASP 4 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 2pas h ASP 4 Cb 0.52 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2pas h ASP 4 CO 0.00 0.12 -1.87 0.25 -3.12 0.00 0.00 179.24 174.62 2pas h LEU 5 N 0.00 0.41 -7.48 1.55 5.85 -1.91 -3.47 115.31 110.26 2pas h LEU 5 Ca -0.00 -0.91 -0.18 0.00 0.84 0.00 0.00 57.88 57.63 2pas h LEU 5 Cb 0.46 -0.13 -0.27 0.00 0.37 0.00 0.00 40.66 41.09 2pas h LEU 5 CO 0.02 1.81 -0.47 -1.48 -0.34 0.00 0.00 178.44 177.97 2pas s LEU 6 N -7.18 1.02 -0.16 2.25 0.05 -1.11 -5.05 118.68 108.50 2pas s LEU 6 Ca -0.22 0.45 0.06 0.00 0.05 0.00 0.00 54.13 54.47 2pas s LEU 6 Cb 0.06 0.73 0.19 0.00 -2.05 0.00 0.00 46.19 45.12 2pas s LEU 6 CO 0.77 -0.09 1.01 2.29 -0.55 0.00 0.00 176.35 179.77 2pas n LYS 7 N 3.24 0.63 0.00 1.48 -0.00 -1.24 -4.19 118.16 118.08 2pas n LYS 7 Ca -0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 2pas n LYS 7 Cb 0.57 0.31 0.00 0.00 -0.00 0.00 0.00 35.03 35.91 2pas n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas n ALA 8 N -0.72 0.00 0.16 0.58 0.00 -1.26 -4.90 120.51 114.37 2pas n ALA 8 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2pas n ALA 8 Cb 0.68 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.66 2pas n ALA 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pas n ASP 9 N 0.00 0.51 0.09 0.00 8.00 -1.26 -1.01 116.55 122.89 2pas n ASP 9 Ca 0.00 0.73 -0.07 0.00 0.71 0.00 0.00 54.79 56.17 2pas n ASP 9 Cb 0.00 -0.80 0.03 0.00 -0.02 0.00 0.00 41.12 40.33 2pas n ASP 9 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2pas h ASP 10 N 0.00 0.20 0.81 -2.24 5.19 -1.90 -2.44 116.42 116.04 2pas h ASP 10 Ca 0.00 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 2pas h ASP 10 Cb 0.02 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2pas h ASP 10 CO 0.00 0.91 -1.21 -0.38 -3.12 0.00 0.00 179.24 175.44 2pas n ILE 11 N -3.69 0.68 0.15 0.35 -0.00 -0.18 -2.94 119.36 113.73 2pas n ILE 11 Ca -0.03 -0.58 0.06 0.00 -0.00 0.00 0.00 62.75 62.21 2pas n ILE 11 Cb 0.76 -0.38 0.06 0.00 -0.00 0.00 0.00 39.64 40.07 2pas n ILE 11 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2pas h LYS 12 N 0.00 0.00 0.02 0.38 1.79 -1.40 -2.83 116.57 114.52 2pas h LYS 12 Ca -0.04 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.16 2pas h LYS 12 Cb 1.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2pas h LYS 12 CO 0.01 0.25 -1.48 1.63 -1.08 0.00 0.00 179.45 178.78 2pas n LYS 13 N -3.08 0.60 -0.11 3.15 5.02 -0.92 -2.78 118.16 120.04 2pas n LYS 13 Ca 0.01 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.72 2pas n LYS 13 Cb 0.66 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 2pas n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pas h ALA 14 N -0.43 0.44 -0.24 7.82 0.00 -1.67 0.12 119.26 125.30 2pas h ALA 14 Ca -0.39 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2pas h ALA 14 Cb 1.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2pas h ALA 14 CO -0.17 -0.08 -0.07 -0.07 0.00 0.00 0.00 179.25 178.86 2pas h LEU 15 N 0.46 0.48 -2.03 0.00 -0.00 -1.69 -1.88 115.31 110.65 2pas h LEU 15 Ca 0.13 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2pas h LEU 15 Cb -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2pas h LEU 15 CO -0.03 0.75 0.00 0.44 -0.00 0.00 0.00 178.44 179.60 2pas h ASP 16 N 0.21 0.00 1.18 -0.43 5.19 -1.33 1.39 116.42 122.64 2pas h ASP 16 Ca 0.06 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.33 2pas h ASP 16 Cb 0.54 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 2pas h ASP 16 CO 0.03 0.00 -0.85 0.00 -3.12 0.00 0.00 179.24 175.29 2pas h ALA 17 N 2.03 0.63 0.00 3.45 0.00 -0.08 -3.37 119.26 121.92 2pas h ALA 17 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2pas h ALA 17 Cb 0.17 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.80 2pas h ALA 17 CO 0.00 0.79 -0.72 1.33 0.00 0.00 0.00 179.25 180.66 2pas n VAL 18 N -3.13 0.67 0.27 0.00 0.24 0.19 -4.76 118.33 111.82 2pas n VAL 18 Ca -0.02 -1.43 0.15 0.00 -2.04 0.00 0.00 64.34 61.00 2pas n VAL 18 Cb 0.79 0.51 0.78 0.00 -1.47 0.00 0.00 33.84 34.45 2pas n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2pas h LYS 19 N 0.71 0.00 -7.22 7.34 1.63 0.16 -3.41 116.57 115.79 2pas h LYS 19 Ca -0.11 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.26 2pas h LYS 19 Cb 1.52 0.00 0.20 0.00 -0.60 0.00 0.00 32.23 33.34 2pas h LYS 19 CO 0.05 0.09 0.05 0.00 -3.45 0.00 0.00 179.45 176.19 2pas s ALA 20 N -4.07 -0.06 -1.11 5.00 0.00 -1.26 -4.91 121.76 115.36 2pas s ALA 20 Ca -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 2pas s ALA 20 Cb 0.12 -3.10 0.29 0.00 0.00 0.00 0.00 23.12 20.43 2pas s ALA 20 CO 0.56 -3.71 1.52 0.39 0.00 0.00 0.00 175.76 174.51 2pas n GLU 21 N -4.84 4.33 0.00 0.00 1.02 -1.26 -3.95 120.64 115.94 2pas n GLU 21 Ca 0.06 -4.42 0.00 0.00 -0.02 0.00 0.00 57.16 52.78 2pas n GLU 21 Cb 0.57 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 2pas n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pas n GLY 22 N 1.58 -0.92 1.71 0.62 0.00 -1.26 -4.94 105.19 101.99 2pas n GLY 22 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 2pas n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pas n SER 23 N 0.00 4.30 -4.83 1.61 3.41 -1.25 -4.96 113.62 111.90 2pas n SER 23 Ca 0.00 -3.29 -0.37 0.00 -0.26 0.00 0.00 58.87 54.95 2pas n SER 23 Cb 0.00 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.19 2pas n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2pas s PHE 24 N -3.02 3.70 -0.35 7.33 2.19 -1.26 -4.22 117.98 122.34 2pas s PHE 24 Ca 0.52 1.12 0.00 0.00 0.33 0.00 0.00 56.93 58.90 2pas s PHE 24 Cb 0.42 -2.40 0.14 0.00 -1.31 0.00 0.00 43.02 39.87 2pas s PHE 24 CO 0.11 0.52 0.22 1.21 1.83 0.00 0.00 175.22 179.11 2pas s ASN 25 N -1.41 2.79 0.26 6.13 3.84 -1.26 -4.97 114.94 120.32 2pas s ASN 25 Ca 0.33 -2.08 0.20 0.00 0.21 0.00 0.00 52.86 51.52 2pas s ASN 25 Cb -0.17 -0.29 0.87 0.00 -0.55 0.00 0.00 41.25 41.12 2pas s ASN 25 CO 0.18 -0.31 0.89 0.00 -2.79 0.00 0.00 177.10 175.07 2pas n HIS 26 N 4.12 0.33 -0.04 0.43 1.44 -1.26 0.11 115.22 120.35 2pas n HIS 26 Ca 0.11 0.33 -0.15 0.00 -2.01 0.00 0.00 57.72 56.01 2pas n HIS 26 Cb 0.38 -0.69 -0.12 0.00 0.12 0.00 0.00 29.99 29.68 2pas n HIS 26 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2pas h LYS 27 N 0.00 0.09 0.09 -1.40 1.57 -1.94 -3.00 116.57 111.98 2pas h LYS 27 Ca 0.51 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2pas h LYS 27 Cb 1.71 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2pas h LYS 27 CO -0.22 0.87 -0.04 0.87 -0.57 0.00 0.00 179.45 180.36 2pas h LYS 28 N -0.64 -0.11 -0.06 3.15 1.79 0.34 0.14 116.57 121.18 2pas h LYS 28 Ca -0.02 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2pas h LYS 28 Cb 0.92 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 2pas h LYS 28 CO 0.03 0.34 -0.26 0.35 -1.08 0.00 0.00 179.45 178.83 2pas h PHE 29 N -0.61 -0.77 -0.44 -1.35 3.04 -1.29 -0.04 116.94 115.48 2pas h PHE 29 Ca -0.01 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2pas h PHE 29 Cb 0.50 0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 2pas h PHE 29 CO 0.08 -0.26 0.16 0.74 -2.02 0.00 0.00 178.31 177.02 2pas h PHE 30 N -0.28 0.62 0.00 0.41 -1.00 -1.64 -0.63 116.94 114.43 2pas h PHE 30 Ca 0.01 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2pas h PHE 30 Cb 0.32 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 2pas h PHE 30 CO -0.51 0.50 -0.01 0.00 -1.61 0.00 0.00 178.31 176.68 2pas h ALA 31 N 1.56 1.27 0.00 2.45 0.00 -0.02 -2.84 119.26 121.69 2pas h ALA 31 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pas h ALA 31 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pas h ALA 31 CO -0.01 0.01 -0.42 1.25 0.00 0.00 0.00 179.25 180.09 2pas h LEU 32 N 0.00 0.00 -0.99 0.00 5.85 0.52 -3.39 115.31 117.31 2pas h LEU 32 Ca -0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 2pas h LEU 32 Cb 0.05 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 40.89 2pas h LEU 32 CO 0.00 0.68 -0.26 1.33 -0.34 0.00 0.00 178.44 179.86 2pas n VAL 33 N -4.51 -0.42 0.00 1.05 0.24 -0.88 -4.79 118.33 109.02 2pas n VAL 33 Ca -0.06 2.26 0.00 0.00 -2.04 0.00 0.00 64.34 64.50 2pas n VAL 33 Cb 0.22 -3.12 0.00 0.00 -1.47 0.00 0.00 33.84 29.46 2pas n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pas n GLY 34 N -1.61 1.27 0.64 7.63 0.00 -1.08 -4.69 105.19 107.36 2pas n GLY 34 Ca 0.15 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.63 2pas n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pas h LEU 35 N 0.00 0.00 -1.43 0.99 7.12 -1.86 -1.28 115.31 118.84 2pas h LEU 35 Ca 0.00 0.00 0.41 0.00 0.13 0.00 0.00 57.88 58.42 2pas h LEU 35 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.07 2pas h LEU 35 CO 0.00 0.00 1.27 1.17 -0.13 0.00 0.00 178.44 180.75 2pas n LYS 36 N -4.00 0.01 -2.66 1.25 3.00 -1.19 -3.43 118.16 111.13 2pas n LYS 36 Ca 0.37 1.00 -0.04 0.00 -0.00 0.00 0.00 58.31 59.64 2pas n LYS 36 Cb 1.72 -2.41 0.09 0.00 0.00 0.00 0.00 35.03 34.43 2pas n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas n ALA 37 N -2.53 -3.38 -0.01 3.14 0.00 -0.49 -4.12 120.51 113.12 2pas n ALA 37 Ca 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 2pas n ALA 37 Cb 1.69 -3.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 2pas n ALA 37 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2pas h MET 38 N 2.72 0.00 -0.50 0.00 4.05 -1.58 -3.49 114.93 116.13 2pas h MET 38 Ca -0.27 0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.37 2pas h MET 38 Cb 1.21 0.00 -0.23 0.00 -0.80 0.00 0.00 31.60 31.79 2pas h MET 38 CO -0.12 0.00 0.19 -1.54 0.23 0.00 0.00 176.91 175.68 2pas s SER 39 N -3.79 -0.47 0.32 1.39 1.04 -1.26 -5.01 113.70 105.92 2pas s SER 39 Ca -0.02 0.41 0.26 0.00 0.48 0.00 0.00 55.95 57.08 2pas s SER 39 Cb 0.00 1.44 1.03 0.00 0.10 0.00 0.00 66.02 68.60 2pas s SER 39 CO 0.03 -0.09 1.02 0.00 0.98 0.00 0.00 173.24 175.18 2pas n ALA 40 N 5.24 1.02 0.09 5.32 0.00 -1.26 -0.09 120.51 130.83 2pas n ALA 40 Ca -0.07 0.52 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 2pas n ALA 40 Cb 0.54 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2pas n ALA 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2pas h ASN 41 N 0.00 -0.28 0.11 0.00 -1.24 -1.99 -1.67 115.58 110.51 2pas h ASN 41 Ca 0.59 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.49 2pas h ASN 41 Cb 2.08 0.07 0.00 0.00 0.73 0.00 0.00 38.32 41.20 2pas h ASN 41 CO -0.20 0.22 0.00 0.47 -1.29 0.00 0.00 177.43 176.63 2pas n ASP 42 N -4.99 0.00 -0.09 1.15 8.00 0.87 -1.65 116.55 119.84 2pas n ASP 42 Ca -0.06 -0.38 -0.23 0.00 0.71 0.00 0.00 54.79 54.83 2pas n ASP 42 Cb 0.19 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.08 2pas n ASP 42 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pas n VAL 43 N -1.09 1.59 0.29 2.53 0.31 0.61 -2.19 118.33 120.37 2pas n VAL 43 Ca 0.12 -0.29 0.16 0.00 -0.01 0.00 0.00 64.34 64.33 2pas n VAL 43 Cb 0.09 -1.89 0.85 0.00 -0.91 0.00 0.00 33.84 31.98 2pas n VAL 43 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2pas h LYS 44 N -0.67 0.00 0.01 5.55 1.57 -1.02 0.34 116.57 122.35 2pas h LYS 44 Ca -0.46 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.14 2pas h LYS 44 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.87 2pas h LYS 44 CO -0.17 0.06 -0.88 0.87 -0.57 0.00 0.00 179.45 178.75 2pas h LYS 45 N 0.00 0.04 -0.13 3.15 1.57 -1.39 -1.49 116.57 118.32 2pas h LYS 45 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2pas h LYS 45 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2pas h LYS 45 CO 0.01 0.89 0.04 0.28 -0.57 0.00 0.00 179.45 180.10 2pas h VAL 46 N 0.02 1.18 0.13 0.50 2.07 0.14 -2.64 116.25 117.66 2pas h VAL 46 Ca -0.02 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2pas h VAL 46 Cb 1.55 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2pas h VAL 46 CO 0.12 0.17 -0.06 0.15 0.02 0.00 0.00 177.57 177.97 2pas h PHE 47 N 0.02 -0.16 -1.26 1.57 3.04 -1.28 0.34 116.94 119.21 2pas h PHE 47 Ca 0.04 -0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.35 2pas h PHE 47 Cb 0.23 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 2pas h PHE 47 CO 0.00 -0.09 1.07 -0.22 -2.02 0.00 0.00 178.31 177.06 2pas h LYS 48 N -0.19 0.00 0.18 1.11 3.11 -1.09 1.72 116.57 121.42 2pas h LYS 48 Ca -0.02 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.54 2pas h LYS 48 Cb 0.15 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.40 2pas h LYS 48 CO 0.03 0.00 -1.33 0.00 -2.81 0.00 0.00 179.45 175.34 2pas h ALA 49 N 1.03 -0.01 -0.43 5.00 0.00 -0.62 -3.20 119.26 121.03 2pas h ALA 49 Ca 0.60 -0.91 0.12 0.00 0.00 0.00 0.00 54.91 54.72 2pas h ALA 49 Cb 2.74 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 20.78 2pas h ALA 49 CO -0.01 0.69 0.31 0.82 0.00 0.00 0.00 179.25 181.06 2pas h ILE 50 N -0.11 0.79 -0.44 0.00 1.08 0.36 -3.30 117.51 115.90 2pas h ILE 50 Ca -0.25 -0.00 -0.42 0.00 -0.39 0.00 0.00 64.86 63.79 2pas h ILE 50 Cb 1.92 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 2pas h ILE 50 CO 0.18 0.00 1.41 -0.67 -0.69 0.00 0.00 178.15 178.38 2pas n ASP 51 N -4.41 3.23 -0.09 1.72 2.03 0.39 -4.78 116.55 114.64 2pas n ASP 51 Ca 0.07 -2.72 -0.06 0.00 0.52 0.00 0.00 54.79 52.60 2pas n ASP 51 Cb 0.50 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 2pas n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pas h ALA 52 N 9.14 0.19 -0.32 -1.67 0.00 -1.83 -1.08 119.26 123.68 2pas h ALA 52 Ca 0.28 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2pas h ALA 52 Cb 0.89 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2pas h ALA 52 CO 1.37 -0.48 0.12 -0.40 0.00 0.00 0.00 179.25 179.85 2pas n ASP 53 N -5.29 3.16 -4.02 0.00 5.68 -1.26 -4.90 116.55 109.93 2pas n ASP 53 Ca 0.01 -2.52 -0.31 0.00 -0.50 0.00 0.00 54.79 51.46 2pas n ASP 53 Cb 0.20 -0.61 -0.04 0.00 -1.14 0.00 0.00 41.12 39.53 2pas n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pas n ALA 54 N 0.07 -2.04 -1.95 2.12 0.00 -0.41 -4.81 120.51 113.49 2pas n ALA 54 Ca 0.18 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2pas n ALA 54 Cb 0.81 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 19.06 2pas n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pas n SER 55 N -2.04 4.77 -2.48 0.00 3.41 -1.26 -4.91 113.62 111.11 2pas n SER 55 Ca -0.20 -3.77 -0.03 0.00 -0.26 0.00 0.00 58.87 54.62 2pas n SER 55 Cb 0.53 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2pas n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pas n GLY 56 N -0.76 -0.49 3.28 5.00 0.00 -1.26 -4.85 105.19 106.10 2pas n GLY 56 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2pas n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pas s PHE 57 N -2.12 -0.29 -0.40 1.61 0.08 -1.26 -4.64 117.98 110.97 2pas s PHE 57 Ca 0.00 0.53 -0.14 0.00 0.12 0.00 0.00 56.93 57.44 2pas s PHE 57 Cb 0.00 0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.61 2pas s PHE 57 CO 0.00 -0.37 0.27 0.42 -0.10 0.00 0.00 175.22 175.44 2pas s ILE 58 N -0.98 5.07 0.38 0.64 -1.09 -0.97 -4.57 121.20 119.68 2pas s ILE 58 Ca -0.10 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 2pas s ILE 58 Cb -0.04 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2pas s ILE 58 CO 0.04 -0.28 0.69 -1.61 -1.23 0.00 0.00 174.94 172.56 2pas s GLU 59 N 1.65 3.66 0.40 2.79 2.02 -1.26 -2.66 118.70 125.30 2pas s GLU 59 Ca 0.04 0.21 0.17 0.00 0.02 0.00 0.00 54.97 55.41 2pas s GLU 59 Cb -0.19 -2.48 1.05 0.00 0.10 0.00 0.00 34.13 32.61 2pas s GLU 59 CO 0.09 0.01 1.83 0.93 0.02 0.00 0.00 175.26 178.14 2pas h GLU 60 N 1.11 0.43 -0.55 1.61 5.08 -1.98 0.18 114.58 120.46 2pas h GLU 60 Ca -0.47 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2pas h GLU 60 Cb 1.19 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2pas h GLU 60 CO 0.64 0.29 0.18 0.93 -1.00 0.00 0.00 179.01 180.04 2pas h GLU 61 N 0.45 0.81 -0.54 2.33 5.08 -1.98 -2.07 114.58 118.66 2pas h GLU 61 Ca 0.50 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2pas h GLU 61 Cb 1.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2pas h GLU 61 CO -0.21 0.70 -0.06 0.93 -1.00 0.00 0.00 179.01 179.36 2pas h GLU 62 N 0.79 0.99 -0.80 2.33 5.08 -0.99 -1.82 114.58 120.17 2pas h GLU 62 Ca 0.18 -0.35 0.18 0.00 -1.00 0.00 0.00 59.36 58.38 2pas h GLU 62 Cb 0.22 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2pas h GLU 62 CO -0.01 1.03 0.54 -0.07 -1.00 0.00 0.00 179.01 179.49 2pas h LEU 63 N 0.87 0.31 0.44 1.33 3.38 -0.86 1.06 115.31 121.83 2pas h LEU 63 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2pas h LEU 63 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2pas h LEU 63 CO 0.04 0.14 -0.21 0.50 0.09 0.00 0.00 178.44 179.00 2pas h LYS 64 N 0.32 -0.56 -0.56 1.13 3.11 -0.98 -2.45 116.57 116.57 2pas h LYS 64 Ca 0.40 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 2pas h LYS 64 Cb 1.07 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2pas h LYS 64 CO -0.11 -0.31 0.00 1.19 -2.81 0.00 0.00 179.45 177.40 2pas n PHE 65 N -5.29 0.75 -0.26 1.91 3.72 -0.47 -2.58 117.46 115.24 2pas n PHE 65 Ca -0.11 -0.30 0.28 0.00 -0.05 0.00 0.00 57.45 57.27 2pas n PHE 65 Cb 0.27 -0.14 0.44 0.00 -0.94 0.00 0.00 39.48 39.11 2pas n PHE 65 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2pas n VAL 66 N 0.47 0.00 -2.24 -4.37 3.14 0.36 0.07 118.33 115.75 2pas n VAL 66 Ca 0.13 1.14 -0.28 0.00 -2.96 0.00 0.00 64.34 62.37 2pas n VAL 66 Cb 0.50 -2.01 0.01 0.00 -1.06 0.00 0.00 33.84 31.29 2pas n VAL 66 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2pas n LEU 67 N -3.11 5.16 -0.04 6.55 7.94 -1.26 -4.63 117.00 127.61 2pas n LEU 67 Ca 0.24 -5.01 0.02 0.00 -1.11 0.00 0.00 56.01 50.14 2pas n LEU 67 Cb 1.42 -0.50 -0.15 0.00 0.53 0.00 0.00 43.42 44.72 2pas n LEU 67 CO 0.24 2.12 -0.84 2.29 -1.11 0.00 0.00 177.39 180.09 2pas n LYS 68 N -0.57 0.67 0.19 1.96 2.85 0.11 -3.35 118.16 120.01 2pas n LYS 68 Ca 0.43 -0.07 0.06 0.00 -1.05 0.00 0.00 58.31 57.68 2pas n LYS 68 Cb 0.71 -1.56 0.32 0.00 -0.65 0.00 0.00 35.03 33.85 2pas n LYS 68 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2pas h SER 69 N 0.00 0.00 1.06 -5.58 0.02 -1.82 -2.65 113.55 104.58 2pas h SER 69 Ca -0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2pas h SER 69 Cb 1.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2pas h SER 69 CO 0.02 0.38 -0.95 -0.26 -1.14 0.00 0.00 176.83 174.87 2pas h PHE 70 N 0.00 0.00 -1.29 3.45 0.04 -1.89 -3.37 116.94 113.88 2pas h PHE 70 Ca -0.00 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 2pas h PHE 70 Cb 0.93 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.82 2pas h PHE 70 CO 0.00 0.06 0.34 0.00 -0.60 0.00 0.00 178.31 178.11 2pas s ALA 71 N -3.30 -2.48 0.51 2.45 0.00 -1.00 -4.90 121.76 113.04 2pas s ALA 71 Ca -0.00 2.13 0.40 0.00 0.00 0.00 0.00 51.96 54.49 2pas s ALA 71 Cb 0.09 -1.87 1.58 0.00 0.00 0.00 0.00 23.12 22.92 2pas s ALA 71 CO 0.78 -0.59 1.64 0.00 0.00 0.00 0.00 175.76 177.59 2pas h ALA 72 N 6.59 3.29 -0.51 0.00 0.00 -1.81 -1.88 119.26 124.94 2pas h ALA 72 Ca -0.23 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 2pas h ALA 72 Cb 1.16 0.16 -0.28 0.00 0.00 0.00 0.00 17.79 18.82 2pas h ALA 72 CO 0.15 -1.84 -0.80 -3.47 0.00 0.00 0.00 179.25 173.30 2pas n ASP 73 N -4.27 -0.11 0.00 0.00 2.03 -1.26 -4.81 116.55 108.13 2pas n ASP 73 Ca 0.38 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 53.14 2pas n ASP 73 Cb 1.64 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 42.23 2pas n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pas n GLY 74 N -0.37 -1.16 0.03 0.27 0.00 -0.71 -4.71 105.19 98.54 2pas n GLY 74 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2pas n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pas h ARG 75 N 0.00 0.00 -3.89 1.61 1.12 -1.85 -3.50 114.38 107.87 2pas h ARG 75 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2pas h ARG 75 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 2pas h ARG 75 CO 0.00 0.00 -0.73 -3.47 -3.11 0.00 0.00 179.97 172.66 2pas n ASP 76 N -3.45 -5.95 -4.71 -3.80 2.03 -1.26 -4.90 116.55 94.50 2pas n ASP 76 Ca -0.03 1.18 -0.35 0.00 0.52 0.00 0.00 54.79 56.11 2pas n ASP 76 Cb 0.10 -3.81 0.10 0.00 -0.72 0.00 0.00 41.12 36.79 2pas n ASP 76 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pas s LEU 77 N -0.41 3.33 0.00 -2.67 2.01 -1.07 -4.91 118.68 114.96 2pas s LEU 77 Ca -0.03 2.49 0.22 0.00 0.01 0.00 0.00 54.13 56.82 2pas s LEU 77 Cb 0.00 -4.60 -0.03 0.00 0.01 0.00 0.00 46.19 41.57 2pas s LEU 77 CO 0.09 -2.39 1.06 0.41 1.01 0.00 0.00 176.35 176.53 2pas n THR 78 N -2.70 0.00 0.00 5.49 -1.04 -1.26 -4.98 114.28 109.79 2pas n THR 78 Ca 0.15 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2pas n THR 78 Cb 0.49 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 70.06 2pas n THR 78 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2pas n ASP 79 N -0.71 0.00 -0.20 8.00 -0.08 -1.26 -4.70 116.55 117.61 2pas n ASP 79 Ca 0.07 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.32 2pas n ASP 79 Cb 0.40 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.02 2pas n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pas h ALA 80 N 0.00 1.22 0.00 -1.67 0.00 -1.94 -0.61 119.26 116.26 2pas h ALA 80 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pas h ALA 80 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pas h ALA 80 CO 0.00 0.57 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2pas h GLU 81 N 0.97 0.00 0.00 0.00 5.08 -1.92 -0.80 114.58 117.90 2pas h GLU 81 Ca 0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2pas h GLU 81 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2pas h GLU 81 CO -0.02 0.00 -0.86 1.15 -1.00 0.00 0.00 179.01 178.28 2pas h THR 82 N 0.00 0.60 0.00 1.13 2.02 -1.49 -2.70 112.91 112.47 2pas h THR 82 Ca 0.00 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2pas h THR 82 Cb 0.25 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2pas h THR 82 CO 0.00 0.34 -0.18 0.11 0.37 0.00 0.00 175.52 176.16 2pas h LYS 83 N 0.00 0.00 0.00 6.66 1.79 -0.78 -2.72 116.57 121.52 2pas h LYS 83 Ca -0.06 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.28 2pas h LYS 83 Cb 1.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 2pas h LYS 83 CO 0.05 0.00 -0.72 0.00 -1.08 0.00 0.00 179.45 177.69 2pas h ALA 84 N 2.34 0.14 -0.54 3.86 0.00 -1.45 -2.97 119.26 120.64 2pas h ALA 84 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 54.91 54.13 2pas h ALA 84 Cb 0.83 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2pas h ALA 84 CO 0.00 0.42 0.19 0.35 0.00 0.00 0.00 179.25 180.22 2pas h PHE 85 N -1.00 0.33 -0.70 0.00 3.04 -1.57 -1.68 116.94 115.36 2pas h PHE 85 Ca -0.19 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.74 2pas h PHE 85 Cb 1.07 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 2pas h PHE 85 CO 0.12 0.10 0.27 1.25 -2.02 0.00 0.00 178.31 178.03 2pas h LEU 86 N 0.37 0.98 0.00 0.59 5.85 -1.63 0.40 115.31 121.87 2pas h LEU 86 Ca 0.26 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2pas h LEU 86 Cb 0.30 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2pas h LEU 86 CO -0.27 0.89 0.00 1.17 -0.34 0.00 0.00 178.44 179.89 2pas n LYS 87 N -4.36 0.00 -0.00 1.25 3.00 -0.70 -1.44 118.16 115.92 2pas n LYS 87 Ca 0.05 0.26 0.03 0.00 -0.00 0.00 0.00 58.31 58.66 2pas n LYS 87 Cb 0.19 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.68 2pas n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas n ALA 88 N -1.50 2.65 0.03 3.14 0.00 -0.69 -4.52 120.51 119.62 2pas n ALA 88 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.38 2pas n ALA 88 Cb 0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 2pas n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas n ALA 89 N -1.30 2.46 -3.37 0.00 0.00 0.13 -4.92 120.51 113.52 2pas n ALA 89 Ca 0.01 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2pas n ALA 89 Cb 0.11 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 18.73 2pas n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pas n ASP 90 N -2.54 1.82 0.00 0.00 2.03 -0.52 -4.65 116.55 112.69 2pas n ASP 90 Ca -0.06 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.07 2pas n ASP 90 Cb 0.65 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2pas n ASP 90 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2pas n LYS 91 N -1.66 0.00 0.03 -0.67 4.81 -1.26 -4.91 118.16 114.50 2pas n LYS 91 Ca 0.05 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.56 2pas n LYS 91 Cb 0.43 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.78 2pas n LYS 91 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2pas n ASP 92 N 0.00 0.15 -0.45 3.14 5.68 -1.26 -4.84 116.55 118.96 2pas n ASP 92 Ca 0.00 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2pas n ASP 92 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 2pas n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pas n GLY 93 N -0.29 0.95 0.59 6.12 0.00 -1.26 -4.97 105.19 106.33 2pas n GLY 93 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.51 2pas n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pas n ASP 94 N 1.26 2.53 -1.58 1.61 5.75 -1.26 -4.94 116.55 119.92 2pas n ASP 94 Ca 0.00 -1.76 -0.12 0.00 -0.01 0.00 0.00 54.79 52.90 2pas n ASP 94 Cb 0.44 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.36 2pas n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pas n GLY 95 N 0.63 0.77 3.08 6.12 0.00 -1.26 -4.88 105.19 109.65 2pas n GLY 95 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2pas n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pas s LYS 96 N -3.44 0.27 -0.40 1.61 2.20 -1.26 -4.49 119.74 114.23 2pas s LYS 96 Ca 0.00 0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2pas s LYS 96 Cb 0.00 0.13 0.11 0.00 -1.51 0.00 0.00 37.83 36.56 2pas s LYS 96 CO 0.00 -0.04 0.18 0.42 -0.36 0.00 0.00 175.35 175.55 2pas s ILE 97 N -0.17 3.08 0.00 5.43 1.09 -1.09 -4.86 121.20 124.68 2pas s ILE 97 Ca -0.03 -2.17 0.00 0.00 -1.10 0.00 0.00 60.65 57.35 2pas s ILE 97 Cb -0.02 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2pas s ILE 97 CO 0.01 -0.68 0.00 0.61 -0.10 0.00 0.00 174.94 174.77 2pas n GLY 98 N 4.46 -2.42 0.00 6.18 0.00 -1.26 -2.29 105.19 109.86 2pas n GLY 98 Ca -0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2pas n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pas n ILE 99 N -1.46 0.00 -0.39 -0.61 2.08 -1.26 -0.98 119.36 116.74 2pas n ILE 99 Ca 0.00 0.65 0.36 0.00 0.56 0.00 0.00 62.75 64.32 2pas n ILE 99 Cb 0.00 -1.29 0.63 0.00 -0.75 0.00 0.00 39.64 38.23 2pas n ILE 99 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2pas n ASP 100 N -0.94 0.28 -0.10 4.38 -0.08 -1.26 0.22 116.55 119.06 2pas n ASP 100 Ca 0.00 1.53 -0.13 0.00 -1.51 0.00 0.00 54.79 54.68 2pas n ASP 100 Cb 0.00 -0.75 -0.04 0.00 2.34 0.00 0.00 41.12 42.67 2pas n ASP 100 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2pas h GLU 101 N 0.00 0.71 0.13 -0.67 4.57 -1.91 -1.57 114.58 115.83 2pas h GLU 101 Ca 0.87 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 2pas h GLU 101 Cb 2.54 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 31.14 2pas h GLU 101 CO -0.62 0.98 -0.06 0.35 -1.18 0.00 0.00 179.01 178.47 2pas h PHE 102 N 0.45 -0.16 0.00 0.92 3.04 0.46 -3.05 116.94 118.60 2pas h PHE 102 Ca 0.05 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2pas h PHE 102 Cb 0.84 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.40 2pas h PHE 102 CO 0.07 0.31 0.00 0.39 -2.02 0.00 0.00 178.31 177.06 2pas n GLU 103 N -4.88 0.22 0.01 1.11 -0.58 0.22 -1.91 120.64 114.84 2pas n GLU 103 Ca -0.07 0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 2pas n GLU 103 Cb 0.27 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.50 2pas n GLU 103 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2pas h THR 104 N 0.00 0.96 -0.05 2.62 2.02 -1.29 -3.02 112.91 114.15 2pas h THR 104 Ca 0.00 -2.39 -0.16 0.00 0.77 0.00 0.00 66.41 64.63 2pas h THR 104 Cb 0.14 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2pas h THR 104 CO 0.00 0.72 -0.67 0.25 0.37 0.00 0.00 175.52 176.19 2pas h LEU 105 N -0.26 0.25 -0.61 2.58 7.12 -1.36 -1.87 115.31 121.16 2pas h LEU 105 Ca -0.32 -0.16 -0.09 0.00 0.13 0.00 0.00 57.88 57.44 2pas h LEU 105 Cb 1.80 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.84 2pas h LEU 105 CO 0.06 0.84 0.04 0.58 -0.13 0.00 0.00 178.44 179.84 2pas h VAL 106 N 0.15 1.26 -0.19 1.05 2.07 -1.50 -1.62 116.25 117.47 2pas h VAL 106 Ca -0.01 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.22 2pas h VAL 106 Cb 1.20 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2pas h VAL 106 CO 0.10 0.40 -0.66 0.45 0.02 0.00 0.00 177.57 177.88 2pas h HIS 107 N 0.95 0.94 0.00 1.57 3.86 -1.45 -2.79 115.15 118.23 2pas h HIS 107 Ca 0.18 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2pas h HIS 107 Cb 0.50 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2pas h HIS 107 CO 0.04 1.18 0.00 0.93 0.86 0.00 0.00 177.93 180.93 2pas h GLU 108 N 0.52 0.00 0.00 2.45 5.08 -1.15 -3.44 114.58 118.04 2pas h GLU 108 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2pas h GLU 108 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2pas h GLU 108 CO 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.14