#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 3.06 0.11 0.00 0.00 -1.23 -4.45 120.51 118.00 2pas n ALA 2 Ca 0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 53.44 51.29 2pas n ALA 2 Cb 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 18.49 2pas n ALA 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2pas h LYS 3 N 2.72 0.46 0.00 0.00 2.10 -1.93 -3.22 116.57 116.70 2pas h LYS 3 Ca 0.00 -0.78 0.00 0.00 -2.00 0.00 0.00 60.65 57.87 2pas h LYS 3 Cb 1.44 0.29 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 2pas h LYS 3 CO 0.24 1.37 0.00 -0.44 -2.00 0.00 0.00 179.45 178.62 2pas h ASP 4 N 0.12 0.00 -0.88 7.07 3.32 -1.96 -1.90 116.42 122.19 2pas h ASP 4 Ca -0.28 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.19 2pas h ASP 4 Cb 2.13 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 41.38 2pas h ASP 4 CO 0.23 0.00 0.40 -0.11 -1.72 0.00 0.00 179.24 178.04 2pas n LEU 5 N -2.96 6.62 0.00 1.55 7.94 -1.22 -4.96 117.00 123.98 2pas n LEU 5 Ca -0.01 -4.22 0.00 0.00 -1.11 0.00 0.00 56.01 50.67 2pas n LEU 5 Cb 0.17 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2pas n LEU 5 CO 0.22 1.51 0.00 0.18 -1.11 0.00 0.00 177.39 178.19 2pas n LEU 6 N -0.94 0.00 -0.05 -1.96 7.99 -0.72 -5.05 117.00 116.28 2pas n LEU 6 Ca 0.56 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.63 2pas n LEU 6 Cb 0.92 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 44.15 2pas n LEU 6 CO 0.62 0.00 -0.00 1.17 -1.51 0.00 0.00 177.39 177.67 2pas n LYS 7 N 0.00 1.51 0.00 3.23 0.00 -1.26 -5.01 118.16 116.63 2pas n LYS 7 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.21 2pas n LYS 7 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.74 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 -1.24 0.00 0.32 3.14 0.00 -1.26 -4.21 120.51 117.27 2pas n ALA 8 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.69 2pas n ALA 8 Cb 0.27 0.00 1.11 0.00 0.00 0.00 0.00 19.45 20.83 2pas n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pas h ASP 9 N 0.00 0.00 0.58 0.00 3.32 -1.98 -0.75 116.42 117.59 2pas h ASP 9 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2pas h ASP 9 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2pas h ASP 9 CO 0.00 0.01 -0.57 0.44 -1.72 0.00 0.00 179.24 177.40 2pas h ASP 10 N 0.00 0.00 1.03 6.45 5.19 -1.82 -2.27 116.42 124.99 2pas h ASP 10 Ca -0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2pas h ASP 10 Cb 0.07 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2pas h ASP 10 CO 0.00 0.57 -1.03 0.40 -3.12 0.00 0.00 179.24 176.05 2pas h ILE 11 N 0.00 0.88 0.00 0.35 2.04 -1.45 -3.05 117.51 116.29 2pas h ILE 11 Ca -0.01 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2pas h ILE 11 Cb 1.01 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2pas h ILE 11 CO 0.07 0.50 -0.14 1.17 0.00 0.00 0.00 178.15 179.76 2pas n LYS 12 N -3.11 0.19 -0.07 2.37 4.81 -1.02 -2.34 118.16 118.99 2pas n LYS 12 Ca -0.04 0.13 -0.22 0.00 -0.87 0.00 0.00 58.31 57.30 2pas n LYS 12 Cb 0.84 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 34.07 2pas n LYS 12 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2pas n LYS 13 N -2.01 0.64 -0.13 1.64 4.81 -0.87 -2.64 118.16 119.60 2pas n LYS 13 Ca 0.05 0.43 -0.13 0.00 -0.87 0.00 0.00 58.31 57.80 2pas n LYS 13 Cb 0.40 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.73 2pas n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas h ALA 14 N -0.30 0.59 -0.13 3.14 0.00 -1.63 -2.09 119.26 118.84 2pas h ALA 14 Ca -0.41 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 53.90 2pas h ALA 14 Cb 1.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2pas h ALA 14 CO -0.11 0.66 -0.64 -0.07 0.00 0.00 0.00 179.25 179.09 2pas h LEU 15 N 0.78 0.54 -1.56 0.00 4.07 -1.65 -2.34 115.31 115.15 2pas h LEU 15 Ca 0.07 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 2pas h LEU 15 Cb 0.92 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.51 2pas h LEU 15 CO 0.09 1.04 -0.01 0.44 -1.08 0.00 0.00 178.44 178.92 2pas h ASP 16 N 0.34 0.00 0.75 -0.43 5.19 -1.40 0.14 116.42 121.01 2pas h ASP 16 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2pas h ASP 16 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2pas h ASP 16 CO 0.11 0.01 -0.95 0.00 -3.12 0.00 0.00 179.24 175.29 2pas n ALA 17 N -2.09 2.90 0.15 3.45 0.00 -0.80 -4.33 120.51 119.79 2pas n ALA 17 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.16 2pas n ALA 17 Cb 0.29 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 2pas n ALA 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pas n VAL 18 N -2.29 0.00 -0.50 0.00 0.24 -0.90 -4.71 118.33 110.17 2pas n VAL 18 Ca 0.01 -0.40 0.39 0.00 -2.04 0.00 0.00 64.34 62.30 2pas n VAL 18 Cb 0.49 0.96 0.62 0.00 -1.47 0.00 0.00 33.84 34.44 2pas n VAL 18 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2pas n LYS 19 N -1.12 -0.01 -0.61 7.34 0.00 0.45 -4.25 118.16 119.96 2pas n LYS 19 Ca 0.01 0.93 -0.23 0.00 0.00 0.00 0.00 58.31 59.02 2pas n LYS 19 Cb 0.06 -2.01 0.14 0.00 0.00 0.00 0.00 35.03 33.21 2pas n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pas n ALA 20 N -2.66 -1.78 -3.02 3.14 0.00 -1.26 -4.83 120.51 110.10 2pas n ALA 20 Ca 0.35 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 2pas n ALA 20 Cb 1.49 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2pas n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pas n GLU 21 N -1.30 4.33 0.00 0.00 4.71 -1.26 -4.15 120.64 122.96 2pas n GLU 21 Ca 0.04 -4.59 0.00 0.00 -0.01 0.00 0.00 57.16 52.59 2pas n GLU 21 Cb 0.44 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 2pas n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pas n GLY 22 N 1.07 0.21 0.58 0.62 0.00 -1.26 -4.95 105.19 101.46 2pas n GLY 22 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 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 1.73 -4.83 1.61 3.41 -1.26 -4.91 113.62 109.37 2pas n SER 23 Ca 0.00 -1.77 -0.32 0.00 -0.26 0.00 0.00 58.87 56.53 2pas n SER 23 Cb 0.00 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.73 3.28 0.00 7.33 5.36 -1.26 -4.65 117.98 126.31 2pas s PHE 24 Ca 0.31 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 2pas s PHE 24 Cb 0.16 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2pas s PHE 24 CO 0.24 -0.90 0.00 0.09 -1.46 0.00 0.00 175.22 173.19 2pas n ASN 25 N -2.48 0.00 0.00 6.13 4.13 -1.26 -5.01 115.26 116.77 2pas n ASN 25 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2pas n ASN 25 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2pas n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pas n HIS 26 N -0.87 0.00 0.02 3.10 1.44 -1.26 -4.74 115.22 112.92 2pas n HIS 26 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 2pas n HIS 26 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 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 0.29 -0.06 -1.40 1.57 -1.93 -3.05 116.57 111.99 2pas h LYS 27 Ca 0.00 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 58.14 2pas h LYS 27 Cb 0.00 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2pas h LYS 27 CO 0.00 1.23 -0.63 0.87 -0.57 0.00 0.00 179.45 180.35 2pas h LYS 28 N -0.09 0.22 0.19 3.15 6.56 -1.95 -0.54 116.57 124.12 2pas h LYS 28 Ca -0.36 -0.16 -0.01 0.00 -1.06 0.00 0.00 60.65 59.06 2pas h LYS 28 Cb 1.93 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.62 2pas h LYS 28 CO 0.09 0.78 -0.09 0.35 -2.06 0.00 0.00 179.45 178.52 2pas h PHE 29 N 0.16 -0.24 -0.14 -1.35 3.57 -1.89 -3.02 116.94 114.03 2pas h PHE 29 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2pas h PHE 29 Cb 1.15 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2pas h PHE 29 CO 0.02 -0.15 0.07 0.74 -2.23 0.00 0.00 178.31 176.76 2pas h PHE 30 N -0.50 0.18 -0.73 0.41 0.04 -1.65 -2.26 116.94 112.42 2pas h PHE 30 Ca -0.03 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.78 2pas h PHE 30 Cb 0.20 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2pas h PHE 30 CO 0.06 0.13 0.46 0.00 -0.60 0.00 0.00 178.31 178.36 2pas h ALA 31 N 1.89 0.96 0.25 2.45 0.00 -1.16 -1.58 119.26 122.07 2pas h ALA 31 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pas h ALA 31 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2pas h ALA 31 CO -0.01 0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 179.30 2pas h LEU 32 N 0.90 -0.28 -0.95 0.00 3.38 -1.28 -3.30 115.31 113.77 2pas h LEU 32 Ca 0.30 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.54 2pas h LEU 32 Cb 0.03 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 40.68 2pas h LEU 32 CO -0.11 0.13 0.09 1.62 0.09 0.00 0.00 178.44 180.26 2pas h VAL 33 N -1.01 0.10 0.00 1.22 3.04 -1.49 -3.45 116.25 114.66 2pas h VAL 33 Ca -0.03 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2pas h VAL 33 Cb 0.26 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 2pas h VAL 33 CO 0.06 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.24 2pas n GLY 34 N -1.45 1.02 1.32 3.17 0.00 -0.63 -4.63 105.19 103.99 2pas n GLY 34 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2pas n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pas n LEU 35 N 0.00 3.89 -0.61 0.99 7.94 -1.00 -4.12 117.00 124.09 2pas n LEU 35 Ca 0.00 -1.96 0.11 0.00 -1.11 0.00 0.00 56.01 53.05 2pas n LEU 35 Cb 0.00 -0.51 0.36 0.00 0.53 0.00 0.00 43.42 43.80 2pas n LEU 35 CO 0.00 0.69 0.77 1.17 -1.11 0.00 0.00 177.39 178.91 2pas n LYS 36 N 0.93 1.81 -1.62 1.96 4.81 -1.25 -4.26 118.16 120.53 2pas n LYS 36 Ca 0.21 -1.21 -0.00 0.00 -0.87 0.00 0.00 58.31 56.44 2pas n LYS 36 Cb 0.72 -1.41 0.02 0.00 0.02 0.00 0.00 35.03 34.38 2pas n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas n ALA 37 N 0.44 -1.24 -2.68 3.14 0.00 -1.26 -4.68 120.51 114.23 2pas n ALA 37 Ca 0.16 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2pas n ALA 37 Cb 0.36 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.28 2pas n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas n MET 38 N -0.22 3.86 -2.90 0.00 0.00 -1.26 -4.79 117.12 111.80 2pas n MET 38 Ca -0.03 -3.94 -0.00 0.00 0.00 0.00 0.00 57.70 53.73 2pas n MET 38 Cb 0.54 -2.79 -0.00 0.00 0.00 0.00 0.00 33.22 30.98 2pas n MET 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2pas n SER 39 N 3.21 -7.07 -0.29 3.17 3.41 -1.26 -3.86 113.62 110.92 2pas n SER 39 Ca 0.34 1.04 0.28 0.00 -0.26 0.00 0.00 58.87 60.27 2pas n SER 39 Cb 0.36 -3.81 0.52 0.00 -0.26 0.00 0.00 64.21 61.03 2pas n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pas n ALA 40 N 1.05 0.91 0.06 7.33 0.00 -1.26 0.77 120.51 129.37 2pas n ALA 40 Ca -0.02 0.93 -0.13 0.00 0.00 0.00 0.00 53.44 54.22 2pas n ALA 40 Cb 0.22 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.08 0.28 0.00 -1.24 -2.01 -0.29 115.58 112.25 2pas h ASN 41 Ca 0.76 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.65 2pas h ASN 41 Cb 2.00 0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.07 2pas h ASN 41 CO -0.71 0.08 0.00 0.47 -1.29 0.00 0.00 177.43 175.98 2pas n ASP 42 N -5.06 0.00 0.05 1.15 8.00 0.23 -1.55 116.55 119.37 2pas n ASP 42 Ca -0.08 0.30 -0.23 0.00 0.71 0.00 0.00 54.79 55.50 2pas n ASP 42 Cb 0.12 -0.39 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 2pas n ASP 42 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2pas h VAL 43 N 0.00 0.89 -0.12 2.53 2.07 0.54 -2.76 116.25 119.41 2pas h VAL 43 Ca 0.00 -2.46 0.03 0.00 0.82 0.00 0.00 66.70 65.09 2pas h VAL 43 Cb 0.14 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2pas h VAL 43 CO 0.00 0.85 0.09 0.50 0.02 0.00 0.00 177.57 179.03 2pas h LYS 44 N 0.04 0.00 -0.04 1.57 3.64 -0.07 0.50 116.57 122.22 2pas h LYS 44 Ca -0.35 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 2pas h LYS 44 Cb 2.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.86 2pas h LYS 44 CO 0.15 0.00 -0.79 0.87 -2.27 0.00 0.00 179.45 177.41 2pas h LYS 45 N 0.00 0.31 -0.31 1.90 1.57 -1.49 -1.43 116.57 117.12 2pas h LYS 45 Ca 0.05 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2pas h LYS 45 Cb 0.24 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2pas h LYS 45 CO -0.00 0.95 0.02 0.28 -0.57 0.00 0.00 179.45 180.13 2pas h VAL 46 N 0.20 1.25 0.15 0.50 2.07 0.23 -2.95 116.25 117.69 2pas h VAL 46 Ca -0.04 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2pas h VAL 46 Cb 1.38 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2pas h VAL 46 CO 0.13 0.30 -0.07 0.15 0.02 0.00 0.00 177.57 178.09 2pas h PHE 47 N 0.35 -0.19 -1.70 1.57 3.04 -1.04 -0.52 116.94 118.46 2pas h PHE 47 Ca 0.09 -0.00 0.52 0.00 3.98 0.00 0.00 57.97 62.56 2pas h PHE 47 Cb 0.41 0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.89 2pas h PHE 47 CO 0.03 -0.08 1.19 -0.22 -2.02 0.00 0.00 178.31 177.21 2pas h LYS 48 N -0.25 0.01 0.19 1.11 1.63 -1.12 1.85 116.57 120.00 2pas h LYS 48 Ca -0.02 -0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.50 2pas h LYS 48 Cb 0.19 -0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2pas h LYS 48 CO 0.03 0.01 -1.24 0.00 -3.45 0.00 0.00 179.45 174.80 2pas h ALA 49 N 1.25 -0.08 -0.37 5.00 0.00 -0.98 -3.23 119.26 120.86 2pas h ALA 49 Ca 0.89 -0.84 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2pas h ALA 49 Cb 3.30 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 21.28 2pas h ALA 49 CO -0.17 0.61 0.34 0.82 0.00 0.00 0.00 179.25 180.85 2pas h ILE 50 N -0.10 0.52 -0.45 0.00 1.08 0.39 -2.14 117.51 116.80 2pas h ILE 50 Ca -0.22 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 63.92 2pas h ILE 50 Cb 1.92 0.74 -0.11 0.00 -3.07 0.00 0.00 36.82 36.29 2pas h ILE 50 CO 0.20 0.00 -0.06 -0.67 -0.69 0.00 0.00 178.15 176.93 2pas n ASP 51 N -3.94 5.76 -0.16 1.72 2.03 -0.19 -4.76 116.55 117.01 2pas n ASP 51 Ca 0.06 -2.79 0.06 0.00 0.52 0.00 0.00 54.79 52.64 2pas n ASP 51 Cb 0.52 -1.34 0.12 0.00 -0.72 0.00 0.00 41.12 39.70 2pas n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pas n ALA 52 N 1.80 0.21 -0.58 -1.67 0.00 -0.81 0.77 120.51 120.23 2pas n ALA 52 Ca 0.45 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 54.29 2pas n ALA 52 Cb 0.76 -0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.89 2pas n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pas n ASP 53 N -4.58 5.59 -2.88 0.00 5.68 -1.26 -4.85 116.55 114.24 2pas n ASP 53 Ca 0.10 -2.81 -0.15 0.00 -0.50 0.00 0.00 54.79 51.43 2pas n ASP 53 Cb 0.33 -0.99 -0.03 0.00 -1.14 0.00 0.00 41.12 39.29 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 0.53 -0.82 -0.63 2.12 0.00 0.23 -4.68 120.51 117.27 2pas n ALA 54 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2pas n ALA 54 Cb 0.62 -0.72 0.36 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.65 5.00 -0.96 0.00 3.41 -1.26 -4.87 113.62 114.29 2pas n SER 55 Ca -0.02 -2.64 -0.12 0.00 -0.26 0.00 0.00 58.87 55.83 2pas n SER 55 Cb 0.21 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 0.86 1.10 3.22 5.00 0.00 -1.26 -4.90 105.19 109.21 2pas n GLY 56 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.93 -0.17 -0.48 1.61 0.08 -1.26 -4.70 117.98 111.12 2pas s PHE 57 Ca 0.00 0.27 -0.23 0.00 0.12 0.00 0.00 56.93 57.09 2pas s PHE 57 Cb 0.00 0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.57 2pas s PHE 57 CO 0.00 -0.36 0.81 0.42 -0.10 0.00 0.00 175.22 175.99 2pas s ILE 58 N -1.22 4.60 0.47 0.64 -1.09 -0.97 -4.56 121.20 119.07 2pas s ILE 58 Ca -0.13 0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 2pas s ILE 58 Cb -0.05 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.42 2pas s ILE 58 CO 0.04 -0.83 0.75 -1.61 -1.23 0.00 0.00 174.94 172.05 2pas s GLU 59 N 3.40 3.45 0.35 2.79 0.41 -1.26 -2.32 118.70 125.52 2pas s GLU 59 Ca 0.28 0.05 0.12 0.00 -0.41 0.00 0.00 54.97 55.01 2pas s GLU 59 Cb -0.13 -2.43 0.91 0.00 -1.78 0.00 0.00 34.13 30.71 2pas s GLU 59 CO 0.21 -0.19 1.78 0.93 -0.49 0.00 0.00 175.26 177.50 2pas h GLU 60 N 0.29 0.57 -0.21 1.61 4.39 -1.97 0.32 114.58 119.58 2pas h GLU 60 Ca -0.47 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.10 2pas h GLU 60 Cb 1.21 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2pas h GLU 60 CO 0.61 0.38 -0.29 1.49 -1.16 0.00 0.00 179.01 180.04 2pas h GLU 61 N 0.59 0.42 0.00 2.33 4.81 -1.96 -2.11 114.58 118.65 2pas h GLU 61 Ca 0.57 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2pas h GLU 61 Cb 1.15 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2pas h GLU 61 CO -0.34 0.67 -0.52 0.93 -0.73 0.00 0.00 179.01 179.02 2pas h GLU 62 N 0.37 0.00 -0.38 1.92 3.07 -0.76 -2.82 114.58 115.98 2pas h GLU 62 Ca 0.05 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.78 2pas h GLU 62 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 2pas h GLU 62 CO 0.05 0.52 -0.27 -0.07 -1.40 0.00 0.00 179.01 177.84 2pas h LEU 63 N 0.00 0.81 -0.45 1.33 3.38 -0.52 1.62 115.31 121.49 2pas h LEU 63 Ca -0.01 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2pas h LEU 63 Cb 1.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2pas h LEU 63 CO 0.07 1.04 0.22 0.50 0.09 0.00 0.00 178.44 180.36 2pas h LYS 64 N 0.67 0.64 -0.47 1.13 3.64 -1.17 -2.55 116.57 118.47 2pas h LYS 64 Ca 0.08 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2pas h LYS 64 Cb 0.80 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2pas h LYS 64 CO 0.07 0.54 0.00 1.19 -2.27 0.00 0.00 179.45 178.98 2pas n PHE 65 N -4.66 0.61 -0.40 1.91 3.72 -1.15 -3.43 117.46 114.07 2pas n PHE 65 Ca 0.01 -0.31 0.35 0.00 -0.05 0.00 0.00 57.45 57.45 2pas n PHE 65 Cb 0.11 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.52 0.00 -1.41 -4.37 3.14 0.55 0.14 118.33 117.90 2pas n VAL 66 Ca 0.21 1.16 -0.34 0.00 -2.96 0.00 0.00 64.34 62.40 2pas n VAL 66 Cb 0.61 -1.99 0.07 0.00 -1.06 0.00 0.00 33.84 31.46 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 -3.28 7.55 -0.03 6.55 0.00 -1.26 -4.26 117.00 122.28 2pas n LEU 67 Ca 0.29 -4.31 0.06 0.00 0.00 0.00 0.00 56.01 52.06 2pas n LEU 67 Cb 1.50 -1.01 -0.16 0.00 0.00 0.00 0.00 43.42 43.76 2pas n LEU 67 CO 0.29 1.51 -0.82 2.29 0.00 0.00 0.00 177.39 180.66 2pas n LYS 68 N -0.70 0.67 0.20 1.96 2.85 0.37 -3.52 118.16 119.99 2pas n LYS 68 Ca 0.58 -0.15 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 2pas n LYS 68 Cb 0.57 -1.49 0.15 0.00 -0.65 0.00 0.00 35.03 33.61 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 0.68 -5.58 0.02 -1.79 1.73 113.55 108.62 2pas h SER 69 Ca -0.10 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2pas h SER 69 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2pas h SER 69 CO 0.01 0.00 -1.33 0.49 -1.14 0.00 0.00 176.83 174.86 2pas n PHE 70 N -3.02 0.69 0.00 3.45 3.01 -1.26 -3.49 117.46 116.84 2pas n PHE 70 Ca 0.03 0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.70 2pas n PHE 70 Cb 0.53 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 2pas n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pas n ALA 71 N -2.23 0.63 0.00 4.37 0.00 -1.20 -4.94 120.51 117.14 2pas n ALA 71 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2pas n ALA 71 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2pas n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pas n ALA 72 N -0.44 0.00 -2.39 0.00 0.00 0.59 -4.38 120.51 113.89 2pas n ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2pas n ALA 72 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2pas n ALA 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pas n ASP 73 N 1.17 -0.14 0.00 0.00 2.03 -1.26 -4.67 116.55 113.68 2pas n ASP 73 Ca 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.27 2pas n ASP 73 Cb 0.00 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.24 0.92 3.58 0.27 0.00 -1.24 -4.75 105.19 103.73 2pas n GLY 74 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2pas n GLY 74 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pas s ARG 75 N -0.35 3.66 -0.61 1.61 3.00 -1.25 -4.98 118.95 120.03 2pas s ARG 75 Ca 0.00 0.30 -0.04 0.00 -1.00 0.00 0.00 55.73 54.99 2pas s ARG 75 Cb 0.00 -3.86 0.16 0.00 0.00 0.00 0.00 34.95 31.24 2pas s ARG 75 CO 0.00 -1.05 0.43 -0.51 0.00 0.00 0.00 175.30 174.17 2pas s ASP 76 N 2.05 5.41 0.24 -2.12 1.11 -1.26 -4.45 116.67 117.64 2pas s ASP 76 Ca 0.36 -2.67 -0.25 0.00 0.18 0.00 0.00 52.55 50.16 2pas s ASP 76 Cb -0.11 -1.89 -0.16 0.00 1.07 0.00 0.00 42.92 41.82 2pas s ASP 76 CO 0.22 -0.43 0.39 0.18 1.18 0.00 0.00 175.17 176.71 2pas n LEU 77 N 3.77 -1.58 0.16 1.23 4.77 -1.22 -4.83 117.00 119.30 2pas n LEU 77 Ca 0.06 1.00 0.12 0.00 -0.03 0.00 0.00 56.01 57.16 2pas n LEU 77 Cb 0.39 -0.89 0.12 0.00 -2.33 0.00 0.00 43.42 40.71 2pas n LEU 77 CO 0.34 -3.14 0.50 0.71 -1.33 0.00 0.00 177.39 174.48 2pas h THR 78 N 0.79 0.00 0.00 -5.08 1.35 -1.92 -3.47 112.91 104.58 2pas h THR 78 Ca -0.29 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2pas h THR 78 Cb 1.37 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 2pas h THR 78 CO 0.52 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.12 2pas n ASP 79 N -2.85 0.00 0.10 5.36 2.03 -1.26 -4.80 116.55 115.12 2pas n ASP 79 Ca 0.03 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.38 2pas n ASP 79 Cb 0.53 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.40 2pas n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pas h ALA 80 N 0.00 1.73 0.00 -1.67 0.00 -1.97 0.10 119.26 117.45 2pas h ALA 80 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2pas h ALA 80 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pas h ALA 80 CO 0.00 0.22 -0.36 0.93 0.00 0.00 0.00 179.25 180.05 2pas h GLU 81 N 0.33 0.00 0.00 0.00 5.08 -1.92 -1.47 114.58 116.60 2pas h GLU 81 Ca 0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2pas h GLU 81 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2pas h GLU 81 CO -0.01 0.36 -0.46 1.15 -1.00 0.00 0.00 179.01 179.05 2pas h THR 82 N 0.00 0.89 0.00 1.13 2.02 -1.21 -1.77 112.91 113.96 2pas h THR 82 Ca -0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2pas h THR 82 Cb 0.64 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2pas h THR 82 CO 0.05 0.45 -0.16 0.29 0.37 0.00 0.00 175.52 176.52 2pas n LYS 83 N -3.36 0.17 -0.10 6.66 5.02 -0.44 -2.19 118.16 123.93 2pas n LYS 83 Ca 0.01 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.20 2pas n LYS 83 Cb 0.64 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 2pas n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pas n ALA 84 N -1.69 0.78 -0.15 7.82 0.00 -0.87 -2.64 120.51 123.76 2pas n ALA 84 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 2pas n ALA 84 Cb 0.40 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.34 2pas n ALA 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2pas h PHE 85 N -1.00 0.52 -0.39 0.00 3.04 -1.42 0.28 116.94 117.98 2pas h PHE 85 Ca -0.34 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.52 2pas h PHE 85 Cb 1.27 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 2pas h PHE 85 CO 0.08 0.30 -0.19 1.25 -2.02 0.00 0.00 178.31 177.73 2pas h LEU 86 N 0.56 0.75 -0.01 0.59 5.85 -1.61 0.61 115.31 122.05 2pas h LEU 86 Ca 0.19 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2pas h LEU 86 Cb 0.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2pas h LEU 86 CO -0.08 0.93 -0.09 1.17 -0.34 0.00 0.00 178.44 180.03 2pas n LYS 87 N -4.13 0.04 0.00 1.25 4.81 -0.87 -1.59 118.16 117.67 2pas n LYS 87 Ca 0.00 -0.01 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2pas n LYS 87 Cb 0.41 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 2pas n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pas n ALA 88 N -1.48 2.84 -0.09 3.14 0.00 0.93 -4.59 120.51 121.26 2pas n ALA 88 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2pas n ALA 88 Cb 0.33 -0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.88 1.60 -2.28 0.00 0.00 0.21 -4.90 120.51 114.26 2pas n ALA 89 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2pas n ALA 89 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.82 0.00 0.00 0.00 2.03 -0.62 -4.67 116.55 110.47 2pas n ASP 90 Ca -0.30 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.15 2pas n ASP 90 Cb 0.94 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -0.86 0.00 0.27 -0.67 4.81 -1.26 -4.89 118.16 115.56 2pas n LYS 91 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2pas n LYS 91 Cb 0.00 0.00 0.77 0.00 0.02 0.00 0.00 35.03 35.82 2pas n LYS 91 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2pas h ASP 92 N 0.00 0.00 0.00 3.14 2.03 -1.96 -3.44 116.42 116.19 2pas h ASP 92 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2pas h ASP 92 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2pas h ASP 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2pas n GLY 93 N -1.30 0.69 0.08 7.15 0.00 -1.26 -4.96 105.19 105.59 2pas n GLY 93 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 1.37 0.54 0.00 1.61 5.75 -1.26 -4.97 116.55 119.59 2pas n ASP 94 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 2pas n ASP 94 Cb 0.13 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.49 1.03 3.17 6.12 0.00 -1.26 -5.04 105.19 110.70 2pas n GLY 95 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2pas n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pas s LYS 96 N -0.98 2.95 -0.58 1.61 1.02 -1.26 -4.22 119.74 118.28 2pas s LYS 96 Ca 0.00 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 2pas s LYS 96 Cb 0.00 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 35.02 2pas s LYS 96 CO 0.00 0.01 0.78 0.42 -0.92 0.00 0.00 175.35 175.63 2pas s ILE 97 N 0.77 4.66 0.00 2.17 1.09 -0.98 -4.83 121.20 124.08 2pas s ILE 97 Ca -0.09 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2pas s ILE 97 Cb -0.16 -4.50 0.00 0.00 -1.06 0.00 0.00 42.46 36.75 2pas s ILE 97 CO -0.00 -1.13 0.00 0.61 -0.10 0.00 0.00 174.94 174.32 2pas n GLY 98 N 5.25 -2.39 0.00 6.18 0.00 -1.26 -2.30 105.19 110.67 2pas n GLY 98 Ca -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.80 0.00 -0.33 -0.61 2.08 -1.26 -1.24 119.36 116.20 2pas n ILE 99 Ca 0.00 0.85 0.31 0.00 0.56 0.00 0.00 62.75 64.48 2pas n ILE 99 Cb 0.00 -1.70 0.57 0.00 -0.75 0.00 0.00 39.64 37.76 2pas n ILE 99 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2pas n ASP 100 N -1.55 0.30 -0.07 4.38 5.68 -1.26 0.24 116.55 124.27 2pas n ASP 100 Ca 0.00 1.51 -0.12 0.00 -0.50 0.00 0.00 54.79 55.68 2pas n ASP 100 Cb 0.00 -0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 39.19 2pas n ASP 100 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2pas h GLU 101 N 0.00 0.41 0.50 0.11 4.57 -1.90 -0.85 114.58 117.42 2pas h GLU 101 Ca 0.80 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.80 2pas h GLU 101 Cb 2.21 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.78 2pas h GLU 101 CO -0.67 0.65 -0.24 0.35 -1.18 0.00 0.00 179.01 177.92 2pas h PHE 102 N 0.15 -0.62 0.00 0.92 3.57 0.46 -1.77 116.94 119.65 2pas h PHE 102 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pas h PHE 102 Cb 0.49 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2pas h PHE 102 CO 0.05 -0.30 0.00 -1.91 -2.23 0.00 0.00 178.31 173.92 2pas n GLU 103 N -5.26 0.14 -0.09 1.11 2.13 0.12 -0.40 120.64 118.39 2pas n GLU 103 Ca -0.10 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.78 2pas n GLU 103 Cb 0.31 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 2pas n GLU 103 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2pas n THR 104 N -1.30 1.47 0.69 6.31 -1.04 -0.32 -2.59 114.28 117.50 2pas n THR 104 Ca 0.05 0.09 0.11 0.00 -2.04 0.00 0.00 64.05 62.26 2pas n THR 104 Cb 0.08 -2.22 0.46 0.00 -1.82 0.00 0.00 70.33 66.83 2pas n THR 104 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2pas n LEU 105 N -4.52 0.21 -0.01 -4.42 4.32 -0.68 -1.08 117.00 110.82 2pas n LEU 105 Ca -0.20 0.53 -0.12 0.00 -0.02 0.00 0.00 56.01 56.20 2pas n LEU 105 Cb 0.47 -0.48 -0.14 0.00 -1.62 0.00 0.00 43.42 41.65 2pas n LEU 105 CO 0.14 -0.19 -0.60 0.52 -1.22 0.00 0.00 177.39 176.04 2pas n VAL 106 N -1.72 1.67 0.50 4.08 0.31 0.46 -3.48 118.33 120.16 2pas n VAL 106 Ca 0.05 -0.75 0.12 0.00 -0.01 0.00 0.00 64.34 63.74 2pas n VAL 106 Cb 0.28 -1.26 0.13 0.00 -0.91 0.00 0.00 33.84 32.08 2pas n VAL 106 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2pas h HIS 107 N 0.02 0.00 -0.55 3.52 3.86 -1.31 -3.32 115.15 117.37 2pas h HIS 107 Ca -0.32 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.64 2pas h HIS 107 Cb 2.02 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 30.34 2pas h HIS 107 CO 0.02 0.00 0.16 0.39 0.86 0.00 0.00 177.93 179.37 2pas n GLU 108 N -2.19 2.32 0.00 2.45 -0.58 -0.24 -4.85 120.64 117.54 2pas n GLU 108 Ca 0.03 -3.09 0.08 0.00 -0.42 0.00 0.00 57.16 53.75 2pas n GLU 108 Cb 0.46 -1.96 0.45 0.00 -0.57 0.00 0.00 31.44 29.81 2pas n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65