#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iic h VAL 3 N 0.00 0.90 0.00 2.41 2.07 -2.05 -1.19 116.25 118.39 3iic h VAL 3 Ca 0.00 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 3iic h VAL 3 Cb 0.00 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3iic h VAL 3 CO 0.00 0.22 -0.43 0.44 0.02 0.00 0.00 177.57 177.81 3iic h ASP 4 N 0.00 0.00 0.06 0.57 3.32 -2.06 -0.87 116.42 117.44 3iic h ASP 4 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3iic h ASP 4 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3iic h ASP 4 CO 0.03 0.43 -0.60 0.15 -1.72 0.00 0.00 179.24 177.53 3iic h PHE 5 N 0.00 0.25 -0.06 4.55 3.04 -1.90 -3.41 116.94 119.41 3iic h PHE 5 Ca -0.00 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.75 3iic h PHE 5 Cb 0.81 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.31 3iic h PHE 5 CO 0.00 1.23 -0.01 0.82 -2.02 0.00 0.00 178.31 178.33 3iic h ILE 6 N -0.69 1.29 -0.80 1.41 2.04 -1.23 -3.36 117.51 116.16 3iic h ILE 6 Ca -0.13 -0.90 0.19 0.00 1.00 0.00 0.00 64.86 65.03 3iic h ILE 6 Cb 1.35 1.77 -0.13 0.00 -0.74 0.00 0.00 36.82 39.08 3iic h ILE 6 CO 0.04 0.25 0.16 0.78 0.00 0.00 0.00 178.15 179.38 3iic h ASN 7 N -0.23 -0.07 -0.93 1.72 2.35 -1.37 -1.83 115.58 115.22 3iic h ASN 7 Ca 0.02 0.18 0.15 0.00 -0.55 0.00 0.00 56.30 56.09 3iic h ASN 7 Cb 0.40 0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.95 3iic h ASN 7 CO 0.01 -0.12 0.59 -0.65 -1.65 0.00 0.00 177.43 175.61 3iic h PRO 8 N 0.21 0.72 -0.43 0.81 0.11 -1.78 -0.01 132.00 131.63 3iic h PRO 8 Ca 0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.45 3iic h PRO 8 Cb 0.88 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3iic h PRO 8 CO -0.61 0.48 -0.09 0.74 -0.21 0.00 0.00 178.00 178.31 3iic h PHE 9 N 0.75 0.92 -0.19 0.65 0.04 -1.53 -2.30 116.94 115.29 3iic h PHE 9 Ca 0.47 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 61.01 3iic h PHE 9 Cb 0.71 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3iic h PHE 9 CO -0.00 0.93 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.55 3iic h LEU 10 N 0.65 0.33 -0.99 1.54 3.38 -1.24 -2.61 115.31 116.37 3iic h LEU 10 Ca 0.11 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iic h LEU 10 Cb 0.63 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3iic h LEU 10 CO 0.04 0.58 0.66 0.44 0.09 0.00 0.00 178.44 180.25 3iic h ASP 11 N 0.08 1.13 -0.55 -0.43 3.32 -1.07 -2.68 116.42 116.21 3iic h ASP 11 Ca 0.05 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3iic h ASP 11 Cb 0.42 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3iic h ASP 11 CO 0.01 0.80 -0.02 0.28 -1.72 0.00 0.00 179.24 178.60 3iic h SER 12 N 1.32 0.97 -0.11 6.45 0.02 -1.35 -0.40 113.55 120.45 3iic h SER 12 Ca 0.37 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3iic h SER 12 Cb -0.11 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.12 3iic h SER 12 CO -0.09 1.05 -0.16 0.25 -1.14 0.00 0.00 176.83 176.74 3iic h LEU 13 N 0.87 -0.49 -0.53 5.07 5.85 -1.29 0.33 115.31 125.12 3iic h LEU 13 Ca 0.15 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3iic h LEU 13 Cb 0.56 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3iic h LEU 13 CO 0.03 -0.21 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.85 3iic h LEU 14 N -0.20 0.93 -0.23 2.25 3.38 -1.32 -1.53 115.31 118.58 3iic h LEU 14 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3iic h LEU 14 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3iic h LEU 14 CO -0.24 1.01 0.15 -1.13 0.09 0.00 0.00 178.44 178.33 3iic h ASN 15 N 0.82 0.27 -0.28 -0.43 -1.24 -0.91 -1.27 115.58 112.54 3iic h ASN 15 Ca 0.15 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 3iic h ASN 15 Cb 0.54 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 3iic h ASN 15 CO 0.03 0.21 0.04 0.58 -1.29 0.00 0.00 177.43 177.00 3iic h VAL 16 N 0.30 1.24 -0.66 2.57 2.07 -0.25 -1.42 116.25 120.10 3iic h VAL 16 Ca 0.08 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3iic h VAL 16 Cb -0.01 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3iic h VAL 16 CO -0.02 0.26 0.39 -0.07 0.02 0.00 0.00 177.57 178.16 3iic h LEU 17 N 0.27 0.78 -0.19 2.57 3.38 -1.18 -2.85 115.31 118.10 3iic h LEU 17 Ca 0.08 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3iic h LEU 17 Cb 0.36 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iic h LEU 17 CO 0.01 0.60 -0.12 0.50 0.09 0.00 0.00 178.44 179.52 3iic h LYS 18 N 0.90 0.41 -0.01 1.13 1.63 -1.11 -2.33 116.57 117.20 3iic h LYS 18 Ca 0.24 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3iic h LYS 18 Cb -0.03 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3iic h LYS 18 CO -0.04 0.73 0.00 2.41 -3.45 0.00 0.00 179.45 179.09 3iic n THR 19 N -4.55 0.00 0.00 1.00 -1.04 -0.55 -1.07 114.28 108.07 3iic n THR 19 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3iic n THR 19 Cb 0.34 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3iic n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iic n ALA 21 N -0.36 0.94 -2.71 2.41 0.00 -0.89 -5.11 120.51 114.80 3iic n ALA 21 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3iic n ALA 21 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3iic n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iic n ASN 22 N -0.13 -3.35 -3.24 0.00 5.15 -0.24 -4.92 115.26 108.54 3iic n ASN 22 Ca 0.00 1.26 0.03 0.00 -0.60 0.00 0.00 54.58 55.27 3iic n ASN 22 Cb 0.00 -3.92 -0.04 0.00 -0.53 0.00 0.00 39.78 35.29 3iic n ASN 22 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3iic s GLU 24 N -0.42 0.09 0.09 1.20 2.02 -1.26 -4.92 118.70 115.50 3iic s GLU 24 Ca -0.17 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.09 3iic s GLU 24 Cb 0.01 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 3iic s GLU 24 CO 0.45 -0.03 0.09 -0.51 0.02 0.00 0.00 175.26 175.27 3iic s LEU 25 N 2.13 3.81 -0.24 1.80 1.43 -1.26 -4.90 118.68 121.45 3iic s LEU 25 Ca -0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3iic s LEU 25 Cb -0.02 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3iic s LEU 25 CO -0.16 0.16 0.30 -0.75 0.23 0.00 0.00 176.35 176.13 3iic s LYS 26 N -2.47 4.07 0.40 1.70 2.20 0.05 -4.83 119.74 120.86 3iic s LYS 26 Ca 0.30 -0.03 -0.25 0.00 -0.36 0.00 0.00 55.97 55.62 3iic s LYS 26 Cb -0.12 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 3iic s LYS 26 CO 0.22 -0.11 1.19 -1.25 -0.36 0.00 0.00 175.35 175.05 3iic s PRO 27 N 1.54 4.03 0.00 4.03 0.04 -1.26 -0.67 135.00 142.71 3iic s PRO 27 Ca 0.13 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3iic s PRO 27 Cb -0.15 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3iic s PRO 27 CO 0.08 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3iic n GLY 28 N 0.64 3.55 3.71 0.56 0.00 0.02 -4.92 105.19 108.76 3iic n GLY 28 Ca 0.04 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3iic n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iic s LYS 29 N -1.80 4.51 0.50 1.61 -0.14 -1.26 -4.57 119.74 118.59 3iic s LYS 29 Ca 0.00 1.55 -0.09 0.00 -1.36 0.00 0.00 55.97 56.07 3iic s LYS 29 Cb 0.00 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 3iic s LYS 29 CO 0.00 -0.13 0.86 -1.25 -0.76 0.00 0.00 175.35 174.07 3iic s PRO 30 N 1.03 3.65 -0.22 -1.68 0.04 -1.26 -4.49 135.00 132.06 3iic s PRO 30 Ca 0.55 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 3iic s PRO 30 Cb -0.24 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3iic s PRO 30 CO 0.28 -0.25 0.09 1.21 0.04 0.00 0.00 177.00 178.37 3iic s ASN 31 N -3.79 5.62 0.00 6.66 3.84 0.28 -4.95 114.94 122.60 3iic s ASN 31 Ca 0.51 0.00 0.13 0.00 0.21 0.00 0.00 52.86 53.72 3iic s ASN 31 Cb -0.10 -1.99 0.17 0.00 -0.55 0.00 0.00 41.25 38.77 3iic s ASN 31 CO 0.42 0.08 1.02 0.18 -2.79 0.00 0.00 177.10 176.01 3iic n LEU 32 N 4.18 2.37 0.00 3.21 4.77 -1.26 -0.57 117.00 129.71 3iic n LEU 32 Ca -0.16 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 3iic n LEU 32 Cb 0.52 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3iic n LEU 32 CO 0.34 0.49 -0.47 0.29 -1.33 0.00 0.00 177.39 176.70 3iic n LYS 33 N 0.76 2.54 -3.75 3.23 4.76 -1.26 -4.42 118.16 120.02 3iic n LYS 33 Ca 0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 3iic n LYS 33 Cb 0.37 -0.97 -0.13 0.00 -1.84 0.00 0.00 35.03 32.46 3iic n LYS 33 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3iic s LYS 34 N -1.94 0.18 0.00 1.97 2.47 -1.26 -5.04 119.74 116.12 3iic s LYS 34 Ca 0.00 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.83 3iic s LYS 34 Cb 0.00 -0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.30 3iic s LYS 34 CO 0.00 -0.13 0.00 -0.40 0.16 0.00 0.00 175.35 174.98 3iic n ASP 35 N 3.88 1.55 -1.39 1.43 5.68 -1.26 -4.81 116.55 121.63 3iic n ASP 35 Ca -0.22 -0.90 -0.13 0.00 -0.50 0.00 0.00 54.79 53.04 3iic n ASP 35 Cb 0.54 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 3iic n ASP 35 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3iic n ASN 36 N -1.30 -4.19 -0.04 -1.12 5.15 -0.23 -4.90 115.26 108.63 3iic n ASN 36 Ca 0.00 0.06 -0.08 0.00 -0.60 0.00 0.00 54.58 53.96 3iic n ASN 36 Cb 0.00 -3.27 -0.03 0.00 -0.53 0.00 0.00 39.78 35.95 3iic n ASN 36 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3iic n LEU 37 N -1.80 1.30 -4.74 1.20 4.77 -1.26 -4.80 117.00 111.66 3iic n LEU 37 Ca -0.15 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 3iic n LEU 37 Cb 0.58 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3iic n LEU 37 CO 0.18 0.31 0.95 0.00 -1.33 0.00 0.00 177.39 177.51 3iic s ALA 38 N -2.15 3.50 -0.02 -1.18 0.00 -1.26 -5.02 121.76 115.62 3iic s ALA 38 Ca -0.11 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 3iic s ALA 38 Cb 0.04 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3iic s ALA 38 CO 0.16 -0.50 0.04 0.15 0.00 0.00 0.00 175.76 175.61 3iic s LYS 39 N -0.43 2.96 0.31 0.00 1.02 -1.26 -4.38 119.74 117.96 3iic s LYS 39 Ca 0.54 -0.50 -0.13 0.00 0.02 0.00 0.00 55.97 55.90 3iic s LYS 39 Cb -0.36 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3iic s LYS 39 CO 0.40 0.66 0.61 0.20 -0.92 0.00 0.00 175.35 176.30 3iic s GLY 40 N -1.46 0.58 -0.06 -3.33 0.00 -0.86 -4.79 107.32 97.40 3iic s GLY 40 Ca 0.19 -0.87 0.12 0.00 0.00 0.00 0.00 44.72 44.16 3iic s GLY 40 CO 0.10 -0.51 0.19 1.22 0.00 0.00 0.00 173.10 174.09 3iic n ASP 41 N -0.92 2.04 -3.74 1.64 8.00 -0.20 -1.05 116.55 122.32 3iic n ASP 41 Ca -0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 3iic n ASP 41 Cb 0.61 1.29 -0.12 0.00 -0.02 0.00 0.00 41.12 42.87 3iic n ASP 41 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iic s VAL 42 N -2.67 -0.03 0.00 2.53 0.11 -1.10 -0.67 120.40 118.58 3iic s VAL 42 Ca -0.05 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 3iic s VAL 42 Cb 0.06 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 3iic s VAL 42 CO 0.52 0.04 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.82 3iic s SER 43 N 0.96 0.85 -0.16 3.54 0.01 0.03 -0.75 113.70 118.18 3iic s SER 43 Ca -0.07 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 3iic s SER 43 Cb -0.08 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 3iic s SER 43 CO -0.07 0.04 0.13 -0.83 0.41 0.00 0.00 173.24 172.92 3iic s GLY 44 N -0.43 2.08 -0.04 3.44 0.00 0.44 -0.78 107.32 112.04 3iic s GLY 44 Ca 0.01 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3iic s GLY 44 CO -0.00 -0.12 -0.11 1.08 0.00 0.00 0.00 173.10 173.96 3iic s LEU 45 N -0.30 1.76 -0.12 0.66 1.02 0.17 -0.81 118.68 121.06 3iic s LEU 45 Ca 0.11 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.95 3iic s LEU 45 Cb -0.12 -0.66 0.04 0.00 0.02 0.00 0.00 46.19 45.48 3iic s LEU 45 CO 0.01 0.07 0.30 -0.51 0.02 0.00 0.00 176.35 176.24 3iic s ILE 46 N 0.28 -0.02 0.02 -0.59 2.07 -0.18 -0.39 121.20 122.39 3iic s ILE 46 Ca -0.05 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3iic s ILE 46 Cb -0.11 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.04 3iic s ILE 46 CO 0.01 0.03 0.03 0.61 -1.91 0.00 0.00 174.94 173.71 3iic n GLY 47 N 3.61 0.48 0.00 1.50 0.00 -1.26 -0.40 105.19 109.12 3iic n GLY 47 Ca -0.19 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3iic n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iic n VAL 49 N -1.51 0.00 -4.75 1.61 0.31 -0.48 -0.74 118.33 112.77 3iic n VAL 49 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 3iic n VAL 49 Cb 0.02 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 3iic n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iic n GLY 50 N 0.00 3.51 3.63 2.92 0.00 -0.26 -0.73 105.19 114.27 3iic n GLY 50 Ca 0.00 -2.35 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 3iic n GLY 50 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iic s PRO 51 N -3.86 3.77 -1.92 1.61 0.02 -1.26 -2.40 135.00 130.96 3iic s PRO 51 Ca 0.02 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.17 3iic s PRO 51 Cb 0.00 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.36 3iic s PRO 51 CO 0.02 -1.36 0.00 0.00 -0.33 0.00 0.00 177.00 175.33 3iic n GLN 52 N 7.86 -1.61 -3.86 5.54 -0.00 -1.26 -4.99 117.38 119.06 3iic n GLN 52 Ca 0.22 1.08 -0.11 0.00 -0.00 0.00 0.00 57.00 58.19 3iic n GLN 52 Cb 0.44 -5.65 -0.10 0.00 -0.00 0.00 0.00 30.24 24.93 3iic n GLN 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3iic s THR 53 N -2.94 0.09 -0.01 -0.39 -4.23 -1.01 -4.60 115.64 102.55 3iic s THR 53 Ca 0.00 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 3iic s THR 53 Cb 0.00 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.30 3iic s THR 53 CO 0.00 -0.40 0.16 -1.59 -0.54 0.00 0.00 174.62 172.25 3iic s LYS 54 N -1.63 0.47 0.25 3.99 -2.85 -0.67 -1.10 119.74 118.20 3iic s LYS 54 Ca -0.13 -0.30 -0.08 0.00 -1.00 0.00 0.00 55.97 54.47 3iic s LYS 54 Cb -0.06 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.94 3iic s LYS 54 CO 0.01 -0.11 0.48 0.41 0.10 0.00 0.00 175.35 176.23 3iic n GLY 55 N 1.63 1.54 3.49 0.59 0.00 -1.26 -1.06 105.19 110.12 3iic n GLY 55 Ca -0.21 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 3iic n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iic s SER 56 N -2.35 -0.60 -0.01 1.61 1.04 0.45 -4.57 113.70 109.27 3iic s SER 56 Ca 0.12 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.40 3iic s SER 56 Cb -0.03 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 3iic s SER 56 CO 0.09 -0.47 -0.13 -0.22 0.98 0.00 0.00 173.24 173.49 3iic s LEU 57 N -0.75 1.99 0.01 2.42 0.20 0.46 -0.93 118.68 122.08 3iic s LEU 57 Ca -0.08 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.53 3iic s LEU 57 Cb -0.02 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 3iic s LEU 57 CO 0.07 0.15 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.26 3iic s SER 58 N -0.22 0.78 -0.15 3.68 1.04 -0.22 -1.01 113.70 117.60 3iic s SER 58 Ca 0.03 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 3iic s SER 58 Cb -0.06 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.05 3iic s SER 58 CO -0.00 -0.01 -0.06 -0.63 0.98 0.00 0.00 173.24 173.52 3iic s ILE 59 N -0.54 1.08 -0.08 -1.02 1.01 0.01 -0.69 121.20 120.97 3iic s ILE 59 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3iic s ILE 59 Cb -0.05 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3iic s ILE 59 CO 0.00 0.21 -0.15 -0.89 0.00 0.00 0.00 174.94 174.11 3iic s THR 60 N 1.66 2.96 0.03 2.92 2.01 0.70 -0.42 115.64 125.51 3iic s THR 60 Ca 0.02 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.37 3iic s THR 60 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 3iic s THR 60 CO -0.08 0.57 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.80 3iic s PHE 61 N -0.33 2.33 0.45 4.92 0.40 0.07 -0.24 117.98 125.58 3iic s PHE 61 Ca 0.03 -0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 55.72 3iic s PHE 61 Cb -0.13 -1.42 -0.08 0.00 0.51 0.00 0.00 43.02 41.90 3iic s PHE 61 CO 0.02 0.09 1.09 -1.21 0.70 0.00 0.00 175.22 175.91 3iic s GLU 62 N -1.08 3.90 0.18 0.44 2.02 -0.96 -1.03 118.70 122.16 3iic s GLU 62 Ca 0.11 1.56 -0.14 0.00 0.02 0.00 0.00 54.97 56.53 3iic s GLU 62 Cb -0.10 -2.36 0.16 0.00 0.10 0.00 0.00 34.13 31.93 3iic s GLU 62 CO 0.01 -0.39 1.70 1.49 0.02 0.00 0.00 175.26 178.10 3iic h GLU 63 N 2.05 0.14 -0.64 1.61 4.81 -1.93 -2.59 114.58 118.02 3iic h GLU 63 Ca -0.49 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3iic h GLU 63 Cb 1.23 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3iic h GLU 63 CO 0.60 0.09 0.43 1.79 -0.73 0.00 0.00 179.01 181.19 3iic h THR 64 N 0.15 1.04 0.01 0.32 1.35 -1.94 -1.49 112.91 112.35 3iic h THR 64 Ca 0.23 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3iic h THR 64 Cb 0.33 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3iic h THR 64 CO -0.36 0.13 -0.01 0.25 -0.25 0.00 0.00 175.52 175.28 3iic h LEU 65 N 0.69 -0.01 -0.87 3.87 5.85 -0.92 -2.27 115.31 121.65 3iic h LEU 65 Ca 0.27 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 3iic h LEU 65 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3iic h LEU 65 CO -0.08 0.47 -0.24 -0.29 -0.34 0.00 0.00 178.44 177.96 3iic h ILE 66 N -0.50 1.27 -0.13 4.05 6.09 -1.27 -1.30 117.51 125.71 3iic h ILE 66 Ca -0.00 -1.29 -0.10 0.00 -1.37 0.00 0.00 64.86 62.10 3iic h ILE 66 Cb 0.49 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 3iic h ILE 66 CO 0.00 0.41 -0.37 -0.07 -3.07 0.00 0.00 178.15 175.05 3iic h LEU 67 N 0.49 0.29 -0.32 2.19 3.38 -1.34 -3.03 115.31 116.96 3iic h LEU 67 Ca 0.07 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3iic h LEU 67 Cb 0.68 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3iic h LEU 67 CO 0.05 0.64 -0.37 -0.08 0.09 0.00 0.00 178.44 178.77 3iic h GLU 68 N 0.24 0.82 -0.07 1.13 4.57 -1.06 -0.88 114.58 119.34 3iic h GLU 68 Ca 0.03 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3iic h GLU 68 Cb 0.77 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 3iic h GLU 68 CO 0.06 1.09 0.00 -0.89 -1.18 0.00 0.00 179.01 178.09 3iic n ILE 69 N -4.14 0.00 0.00 2.32 5.41 -0.52 -0.53 119.36 121.90 3iic n ILE 69 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3iic n ILE 69 Cb 0.53 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 3iic n ILE 69 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3iic n ASN 71 N 0.35 0.00 -0.53 4.38 5.15 -0.34 -4.71 115.26 119.56 3iic n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3iic n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3iic n ASN 71 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3iic n LYS 72 N 0.00 0.35 0.00 1.20 5.02 0.31 -0.52 118.16 124.52 3iic n LYS 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3iic n LYS 72 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3iic n LYS 72 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iic n LEU 74 N 0.35 0.00 0.00 -0.35 4.77 -1.26 -4.99 117.00 115.53 3iic n LEU 74 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3iic n LEU 74 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iic n LEU 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3iic n GLY 75 N -0.12 1.11 3.31 -0.72 0.00 0.32 -5.04 105.19 104.05 3iic n GLY 75 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3iic n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iic s GLU 76 N -0.36 0.48 0.07 1.61 -1.05 -1.23 -5.02 118.70 113.19 3iic s GLU 76 Ca 0.00 0.63 -0.31 0.00 -0.15 0.00 0.00 54.97 55.14 3iic s GLU 76 Cb 0.00 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 3iic s GLU 76 CO 0.00 -0.08 1.21 0.15 0.95 0.00 0.00 175.26 177.49 3iic s LYS 77 N 0.45 4.43 0.00 -4.83 1.02 -1.26 -4.05 119.74 115.50 3iic s LYS 77 Ca -0.02 1.79 0.12 0.00 0.02 0.00 0.00 55.97 57.89 3iic s LYS 77 Cb -0.04 -3.34 0.67 0.00 -0.52 0.00 0.00 37.83 34.61 3iic s LYS 77 CO -0.02 -0.26 1.24 -2.30 -0.92 0.00 0.00 175.35 173.09 3iic n PRO 78 N 3.88 0.27 0.00 -1.68 -0.02 -1.26 -4.93 135.00 131.25 3iic n PRO 78 Ca 0.09 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3iic n PRO 78 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3iic n PRO 78 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iic n GLU 79 N -1.15 0.00 -4.25 -0.52 1.02 -1.26 -4.84 120.64 109.63 3iic n GLU 79 Ca 0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 3iic n GLU 79 Cb 0.07 -0.07 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3iic n GLU 79 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3iic s SER 80 N 0.00 0.92 -0.48 1.62 1.04 -1.26 -5.12 113.70 110.42 3iic s SER 80 Ca 0.00 -1.55 -0.24 0.00 0.48 0.00 0.00 55.95 54.64 3iic s SER 80 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3iic s SER 80 CO 0.00 -0.93 0.86 -0.63 0.98 0.00 0.00 173.24 173.52 3iic s ILE 81 N -3.81 4.54 0.00 -1.02 1.01 -1.26 -4.95 121.20 115.70 3iic s ILE 81 Ca 0.39 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.53 3iic s ILE 81 Cb 0.05 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3iic s ILE 81 CO 0.19 -0.85 0.00 -0.90 0.00 0.00 0.00 174.94 173.38 3iic n ASP 82 N 7.02 1.55 -0.30 3.58 5.68 -1.26 -4.96 116.55 127.87 3iic n ASP 82 Ca 0.03 -0.91 -0.03 0.00 -0.50 0.00 0.00 54.79 53.39 3iic n ASP 82 Cb 0.48 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.60 3iic n ASP 82 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3iic h GLU 83 N 0.00 1.18 -0.54 0.11 4.81 -1.98 -0.60 114.58 117.56 3iic h GLU 83 Ca 0.00 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3iic h GLU 83 Cb 0.00 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3iic h GLU 83 CO 0.00 0.84 0.35 0.93 -0.73 0.00 0.00 179.01 180.40 3iic h GLU 84 N 1.19 0.68 -0.49 1.92 4.39 -1.98 0.19 114.58 120.48 3iic h GLU 84 Ca 0.31 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 3iic h GLU 84 Cb -0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3iic h GLU 84 CO -0.05 0.45 0.21 0.28 -1.16 0.00 0.00 179.01 178.73 3iic h VAL 85 N 0.70 1.21 -0.36 3.13 2.07 -1.84 -2.21 116.25 118.96 3iic h VAL 85 Ca 0.20 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 3iic h VAL 85 Cb -0.05 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3iic h VAL 85 CO -0.06 0.24 -0.29 0.71 0.02 0.00 0.00 177.57 178.19 3iic h THR 86 N 0.66 1.28 -0.93 2.57 1.35 -0.82 -1.67 112.91 115.35 3iic h THR 86 Ca 0.17 -1.42 0.06 0.00 -0.55 0.00 0.00 66.41 64.66 3iic h THR 86 Cb 0.18 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.85 3iic h THR 86 CO -0.02 0.47 0.61 0.44 -0.25 0.00 0.00 175.52 176.77 3iic h ASP 87 N 0.64 0.96 -0.36 5.36 3.32 -0.48 -2.09 116.42 123.79 3iic h ASP 87 Ca 0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3iic h ASP 87 Cb 0.81 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3iic h ASP 87 CO 0.07 0.63 -0.17 0.25 -1.72 0.00 0.00 179.24 178.30 3iic h LEU 88 N 1.10 0.77 -0.72 1.55 7.12 -0.95 -2.27 115.31 121.90 3iic h LEU 88 Ca 0.39 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 3iic h LEU 88 Cb 0.13 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 3iic h LEU 88 CO -0.14 1.00 0.36 0.58 -0.13 0.00 0.00 178.44 180.12 3iic h VAL 89 N 0.53 1.23 -0.39 1.05 2.07 -1.19 0.14 116.25 119.69 3iic h VAL 89 Ca 0.08 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3iic h VAL 89 Cb 0.71 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3iic h VAL 89 CO 0.05 0.27 0.19 1.23 0.02 0.00 0.00 177.57 179.33 3iic h GLY 90 N 1.01 0.60 0.91 2.17 0.00 -1.31 -0.28 103.07 106.17 3iic h GLY 90 Ca 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3iic h GLY 90 CO -0.03 0.28 0.03 -2.09 0.00 0.00 0.00 176.54 174.72 3iic h GLU 91 N 0.50 0.07 -0.69 4.80 4.81 -1.22 -1.67 114.58 121.18 3iic h GLU 91 Ca 0.14 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3iic h GLU 91 Cb 0.11 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 3iic h GLU 91 CO -0.02 0.15 0.37 1.25 -0.73 0.00 0.00 179.01 180.03 3iic h LEU 92 N -0.02 0.52 -0.42 1.64 6.46 -0.57 -2.64 115.31 120.28 3iic h LEU 92 Ca 0.02 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3iic h LEU 92 Cb 0.10 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 3iic h LEU 92 CO -0.00 0.32 0.24 0.74 -0.62 0.00 0.00 178.44 179.13 3iic h THR 93 N 0.66 1.03 0.00 1.05 2.02 -0.87 -0.15 112.91 116.65 3iic h THR 93 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3iic h THR 93 Cb 0.26 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3iic h THR 93 CO -0.22 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.35 3iic n ASN 94 N -4.86 0.41 0.00 4.18 3.02 -0.64 -2.13 115.26 115.24 3iic n ASN 94 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3iic n ASN 94 Cb 0.07 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3iic n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3iic n VAL 96 N 0.47 0.00 -0.05 2.41 0.31 -0.07 -0.80 118.33 120.60 3iic n VAL 96 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3iic n VAL 96 Cb 0.09 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.98 3iic n VAL 96 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3iic h THR 97 N 0.00 1.12 -0.85 2.52 2.02 -1.67 -1.20 112.91 114.85 3iic h THR 97 Ca 0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 3iic h THR 97 Cb 0.00 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3iic h THR 97 CO 0.00 0.12 0.47 1.23 0.37 0.00 0.00 175.52 177.70 3iic h GLY 98 N 0.21 1.27 0.99 2.16 0.00 -1.23 0.30 103.07 106.77 3iic h GLY 98 Ca 0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3iic h GLY 98 CO -0.01 0.55 0.32 -1.33 0.00 0.00 0.00 176.54 176.07 3iic h GLY 99 N 1.19 0.84 0.96 4.60 0.00 -1.74 -2.31 103.07 106.61 3iic h GLY 99 Ca 0.30 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 3iic h GLY 99 CO -0.05 0.36 -0.08 0.00 0.00 0.00 0.00 176.54 176.77 3iic h ALA 100 N 1.14 0.53 -0.79 3.60 0.00 -0.83 -3.00 119.26 119.92 3iic h ALA 100 Ca 0.20 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 54.98 3iic h ALA 100 Cb 0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 3iic h ALA 100 CO -0.03 0.38 0.23 -0.22 0.00 0.00 0.00 179.25 179.60 3iic h LYS 101 N 0.54 0.28 -0.12 0.00 3.64 -0.22 -0.69 116.57 120.01 3iic h LYS 101 Ca 0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3iic h LYS 101 Cb 0.60 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3iic h LYS 101 CO 0.04 0.19 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.35 3iic h ASN 102 N 0.29 0.34 -0.82 4.20 2.35 -1.40 -1.88 115.58 118.66 3iic h ASN 102 Ca 0.46 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3iic h ASN 102 Cb 0.82 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 3iic h ASN 102 CO -0.54 0.77 0.53 -0.07 -1.65 0.00 0.00 177.43 176.48 3iic h LEU 103 N -0.09 0.95 -0.94 1.61 4.07 -1.34 -2.91 115.31 116.67 3iic h LEU 103 Ca 0.02 -0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 3iic h LEU 103 Cb 0.69 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3iic h LEU 103 CO 0.03 0.70 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.58 3iic h LEU 104 N 1.12 0.00 -0.71 1.67 3.38 -1.16 -3.15 115.31 116.46 3iic h LEU 104 Ca 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 3iic h LEU 104 Cb -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iic h LEU 104 CO -0.06 0.45 -0.12 -1.28 0.09 0.00 0.00 178.44 177.51 3iic h SER 105 N 0.00 0.86 -0.31 -0.43 0.87 -1.13 0.79 113.55 114.19 3iic h SER 105 Ca -0.00 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.22 3iic h SER 105 Cb 0.92 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3iic h SER 105 CO 0.06 0.99 -0.00 0.44 -0.53 0.00 0.00 176.83 177.79 3iic h ASP 106 N 0.77 0.62 0.94 6.23 3.32 -1.50 -2.45 116.42 124.35 3iic h ASP 106 Ca 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3iic h ASP 106 Cb 0.64 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3iic h ASP 106 CO 0.04 0.69 0.00 0.29 -1.72 0.00 0.00 179.24 178.55 3iic n LYS 107 N -4.24 0.01 0.00 3.56 5.02 -1.12 -4.95 118.16 116.45 3iic n LYS 107 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3iic n LYS 107 Cb 0.28 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3iic n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iic n GLY 108 N 1.26 0.87 3.65 0.72 0.00 -0.92 -5.07 105.19 105.69 3iic n GLY 108 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3iic n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iic s TYR 109 N -2.13 3.30 -0.04 1.61 2.02 0.23 -4.95 117.35 117.39 3iic s TYR 109 Ca 0.00 1.32 0.07 0.00 -0.37 0.00 0.00 57.07 58.08 3iic s TYR 109 Cb 0.00 -3.25 -0.02 0.00 -0.40 0.00 0.00 41.96 38.29 3iic s TYR 109 CO 0.00 -0.49 -0.24 -1.21 -1.57 0.00 0.00 175.55 172.04 3iic s GLU 110 N 3.14 2.32 0.02 -0.62 0.41 -1.26 -2.79 118.70 119.91 3iic s GLU 110 Ca 0.41 -0.88 -0.28 0.00 -0.41 0.00 0.00 54.97 53.81 3iic s GLU 110 Cb -0.15 -2.14 0.08 0.00 -1.78 0.00 0.00 34.13 30.14 3iic s GLU 110 CO 0.08 0.52 0.70 -0.59 -0.49 0.00 0.00 175.26 175.48 3iic s PHE 111 N -0.49 -0.55 0.00 1.61 -0.12 -1.26 -4.34 117.98 112.82 3iic s PHE 111 Ca 0.06 0.69 0.00 0.00 -0.05 0.00 0.00 56.93 57.63 3iic s PHE 111 Cb -0.11 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3iic s PHE 111 CO 0.01 -0.67 0.00 -0.25 -0.05 0.00 0.00 175.22 174.26 3iic n ASP 112 N 0.29 0.89 -3.07 1.98 8.00 0.10 -4.95 116.55 119.78 3iic n ASP 112 Ca -0.16 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.15 3iic n ASP 112 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 3iic n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iic n ALA 114 N -3.00 0.29 -1.78 2.24 0.00 0.08 -1.38 120.51 116.97 3iic n ALA 114 Ca 0.00 -1.20 -0.37 0.00 0.00 0.00 0.00 53.44 51.86 3iic n ALA 114 Cb 0.00 0.75 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 3iic n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iic s THR 115 N -2.26 4.17 0.41 0.00 -4.23 -1.26 -4.78 115.64 107.70 3iic s THR 115 Ca 0.07 1.85 -0.22 0.00 -1.18 0.00 0.00 61.69 62.22 3iic s THR 115 Cb 0.00 -4.05 -0.11 0.00 1.34 0.00 0.00 72.50 69.69 3iic s THR 115 CO 0.05 0.20 0.96 -2.16 -0.54 0.00 0.00 174.62 173.12 3iic s PRO 116 N -1.92 4.27 -0.03 3.99 0.04 -1.26 -4.66 135.00 135.43 3iic s PRO 116 Ca 0.49 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.78 3iic s PRO 116 Cb -0.20 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3iic s PRO 116 CO 0.25 0.00 -0.22 0.42 0.04 0.00 0.00 177.00 177.49 3iic s ILE 117 N -2.05 2.39 -0.14 0.56 1.01 0.47 -4.96 121.20 118.48 3iic s ILE 117 Ca 0.60 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3iic s ILE 117 Cb -0.12 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3iic s ILE 117 CO 0.16 0.58 -0.11 -0.69 0.00 0.00 0.00 174.94 174.88 3iic s VAL 118 N -0.64 3.21 -0.16 2.92 1.01 -1.26 0.46 120.40 125.94 3iic s VAL 118 Ca 0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3iic s VAL 118 Cb -0.10 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3iic s VAL 118 CO -0.00 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 3iic s VAL 119 N 0.44 4.01 -0.10 2.92 1.01 0.04 -4.96 120.40 123.76 3iic s VAL 119 Ca -0.08 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3iic s VAL 119 Cb -0.15 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3iic s VAL 119 CO 0.04 0.49 -0.20 -0.44 0.00 0.00 0.00 175.10 175.00 3iic s SER 120 N 0.34 3.48 0.00 3.32 0.01 -1.26 -0.79 113.70 118.80 3iic s SER 120 Ca -0.03 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3iic s SER 120 Cb -0.14 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.76 3iic s SER 120 CO 0.03 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3iic n GLY 121 N 3.32 2.18 3.70 3.44 0.00 0.15 -4.99 105.19 112.98 3iic n GLY 121 Ca -0.18 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3iic n GLY 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iic n LYS 122 N -0.22 2.73 -3.87 1.61 0.00 -1.26 -3.30 118.16 113.84 3iic n LYS 122 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 58.31 59.01 3iic n LYS 122 Cb 0.00 -2.86 0.03 0.00 0.00 0.00 0.00 35.03 32.20 3iic n LYS 122 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3iic n ASN 123 N 5.12 -4.50 -4.87 3.14 3.02 -0.89 -4.95 115.26 111.34 3iic n ASN 123 Ca 0.18 -0.77 -0.31 0.00 -0.03 0.00 0.00 54.58 53.65 3iic n ASN 123 Cb 0.36 -3.99 -0.01 0.00 -0.61 0.00 0.00 39.78 35.53 3iic n ASN 123 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3iic s HIS 124 N -3.35 3.55 0.27 3.10 -3.43 -0.22 -4.66 115.29 110.56 3iic s HIS 124 Ca 0.58 1.26 0.11 0.00 -0.80 0.00 0.00 55.06 56.20 3iic s HIS 124 Cb -0.29 -2.66 -0.05 0.00 -1.43 0.00 0.00 32.58 28.15 3iic s HIS 124 CO 0.82 -0.48 -0.17 0.95 -2.00 0.00 0.00 174.74 173.86 3iic s THR 125 N -2.87 2.26 -0.07 -5.38 -4.23 -1.26 -2.03 115.64 102.06 3iic s THR 125 Ca 0.55 -2.33 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3iic s THR 125 Cb -0.11 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.45 3iic s THR 125 CO 0.44 -0.41 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.39 3iic s ILE 126 N -2.64 0.95 -0.17 2.99 1.01 -1.26 -5.00 121.20 117.08 3iic s ILE 126 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3iic s ILE 126 Cb -0.03 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.56 3iic s ILE 126 CO 0.13 0.32 -0.17 0.00 0.00 0.00 0.00 174.94 175.23 3iic s ALA 127 N 0.91 2.14 -0.35 9.38 0.00 -1.26 -1.07 121.76 131.52 3iic s ALA 127 Ca -0.10 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 3iic s ALA 127 Cb -0.15 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 3iic s ALA 127 CO 0.01 -0.41 0.59 -1.01 0.00 0.00 0.00 175.76 174.95 3iic s HIS 128 N 1.37 3.17 -0.96 0.00 3.76 -1.26 -5.01 115.29 116.35 3iic s HIS 128 Ca 0.04 0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 55.11 3iic s HIS 128 Cb -0.13 -3.04 0.15 0.00 1.11 0.00 0.00 32.58 30.66 3iic s HIS 128 CO -0.12 -0.57 1.14 0.15 -0.85 0.00 0.00 174.74 174.49 3iic s LYS 129 N 2.58 3.68 0.04 1.40 -0.14 -1.26 -4.97 119.74 121.08 3iic s LYS 129 Ca 0.23 -1.97 -0.12 0.00 -1.36 0.00 0.00 55.97 52.74 3iic s LYS 129 Cb -0.15 -4.89 0.01 0.00 -1.68 0.00 0.00 37.83 31.13 3iic s LYS 129 CO 0.14 -1.72 0.26 0.45 -0.76 0.00 0.00 175.35 173.72 3iic s SER 130 N 3.34 -0.06 0.12 2.83 0.15 -1.26 -5.03 113.70 113.79 3iic s SER 130 Ca 0.33 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.99 3iic s SER 130 Cb -0.05 0.33 0.84 0.00 -1.71 0.00 0.00 66.02 65.42 3iic s SER 130 CO -0.08 -0.59 1.72 0.47 1.20 0.00 0.00 173.24 175.96 3iic n ASP 131 N 0.64 0.55 -2.98 5.45 8.00 -1.26 -4.90 116.55 122.05 3iic n ASP 131 Ca -0.19 0.42 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 3iic n ASP 131 Cb 0.59 -0.49 0.11 0.00 -0.02 0.00 0.00 41.12 41.31 3iic n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iic n GLY 132 N 1.38 -2.87 3.82 0.44 0.00 -1.26 -5.02 105.19 101.67 3iic n GLY 132 Ca 0.06 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 3iic n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iic s GLN 133 N -4.01 4.21 0.10 1.61 -1.52 -1.04 -4.88 119.66 114.13 3iic s GLN 133 Ca 0.30 0.78 0.10 0.00 -1.95 0.00 0.00 55.36 54.58 3iic s GLN 133 Cb -0.03 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 3iic s GLN 133 CO 0.23 0.50 -0.26 0.15 -0.25 0.00 0.00 175.29 175.67 3iic s LYS 134 N -1.65 1.47 -0.03 2.91 1.02 -1.26 -2.77 119.74 119.43 3iic s LYS 134 Ca 0.37 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.13 3iic s LYS 134 Cb -0.18 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3iic s LYS 134 CO 0.21 0.44 0.00 -1.50 -0.92 0.00 0.00 175.35 173.58 3iic s ILE 135 N -0.99 0.16 0.34 2.17 2.07 -0.78 -4.39 121.20 119.79 3iic s ILE 135 Ca 0.12 0.11 0.07 0.00 -1.41 0.00 0.00 60.65 59.54 3iic s ILE 135 Cb -0.10 -0.27 -0.07 0.00 0.13 0.00 0.00 42.46 42.16 3iic s ILE 135 CO 0.04 0.15 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.55 3iic s ILE 136 N 1.11 1.90 0.01 2.00 1.09 0.26 -1.49 121.20 126.09 3iic s ILE 136 Ca -0.09 -2.12 -0.01 0.00 -1.10 0.00 0.00 60.65 57.34 3iic s ILE 136 Cb -0.13 -2.68 -0.01 0.00 -1.06 0.00 0.00 42.46 38.57 3iic s ILE 136 CO -0.02 -0.17 0.00 -2.16 -0.10 0.00 0.00 174.94 172.49 3iic s PRO 138 N -3.70 0.26 -0.17 2.79 0.04 -1.26 -0.56 135.00 132.40 3iic s PRO 138 Ca 0.33 -0.43 -0.02 0.00 0.04 0.00 0.00 61.00 60.92 3iic s PRO 138 Cb 0.05 0.10 0.05 0.00 0.04 0.00 0.00 34.50 34.74 3iic s PRO 138 CO 0.15 -0.05 0.00 -0.06 0.04 0.00 0.00 177.00 177.09 3iic s PHE 139 N -1.08 1.26 0.29 0.56 0.08 0.12 -0.80 117.98 118.41 3iic s PHE 139 Ca -0.12 -0.89 0.08 0.00 0.12 0.00 0.00 56.93 56.12 3iic s PHE 139 Cb -0.07 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 3iic s PHE 139 CO -0.00 -0.58 0.17 -1.54 -0.10 0.00 0.00 175.22 173.16 3iic s SER 140 N 1.78 5.13 0.22 1.36 1.04 0.15 0.08 113.70 123.46 3iic s SER 140 Ca -0.00 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 55.73 3iic s SER 140 Cb -0.16 -1.08 0.05 0.00 0.10 0.00 0.00 66.02 64.94 3iic s SER 140 CO -0.07 -0.15 0.89 -0.94 0.98 0.00 0.00 173.24 173.94 3iic s SER 141 N -3.85 -0.15 0.50 7.02 1.04 -0.92 -0.77 113.70 116.58 3iic s SER 141 Ca 0.35 -0.59 0.34 0.00 0.48 0.00 0.00 55.95 56.53 3iic s SER 141 Cb -0.06 0.60 1.82 0.00 0.10 0.00 0.00 66.02 68.48 3iic s SER 141 CO 0.24 -1.13 2.04 0.16 0.98 0.00 0.00 173.24 175.52 3iic h ILE 142 N 2.00 0.00 -0.02 -1.02 3.07 -2.01 -2.24 117.51 117.29 3iic h ILE 142 Ca -0.24 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3iic h ILE 142 Cb 1.24 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3iic h ILE 142 CO 0.28 0.00 -0.13 -1.22 -1.05 0.00 0.00 178.15 176.03 3iic n TYR 143 N -2.70 0.00 0.00 0.16 4.01 -1.26 -5.08 117.16 112.28 3iic n TYR 143 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3iic n TYR 143 Cb 0.07 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3iic n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iic n GLY 144 N 1.36 0.61 3.46 2.72 0.00 -0.85 -1.60 105.19 110.89 3iic n GLY 144 Ca 0.13 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3iic n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iic s THR 145 N -0.73 2.96 0.10 2.61 2.01 -1.26 -2.16 115.64 119.17 3iic s THR 145 Ca 0.00 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.30 3iic s THR 145 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3iic s THR 145 CO 0.00 0.59 -0.09 0.00 -0.69 0.00 0.00 174.62 174.43 3iic s ALA 146 N -0.72 2.99 -0.05 7.40 0.00 0.11 -2.28 121.76 129.21 3iic s ALA 146 Ca 0.11 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3iic s ALA 146 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.09 3iic s ALA 146 CO 0.00 0.65 -0.16 0.71 0.00 0.00 0.00 175.76 176.96 3iic s TYR 147 N -1.22 1.71 -0.13 0.00 2.02 0.67 0.14 117.35 120.54 3iic s TYR 147 Ca 0.22 -0.54 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3iic s TYR 147 Cb -0.11 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.28 3iic s TYR 147 CO 0.14 -0.21 -0.19 -1.50 -1.57 0.00 0.00 175.55 172.22 3iic s ILE 148 N 0.21 2.44 -0.14 2.71 2.07 -1.26 -0.21 121.20 127.02 3iic s ILE 148 Ca -0.08 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 3iic s ILE 148 Cb -0.13 -1.99 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 3iic s ILE 148 CO 0.03 0.54 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.76 3iic s GLU 149 N 0.57 3.29 -0.10 3.50 2.12 0.13 -4.26 118.70 123.95 3iic s GLU 149 Ca -0.11 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3iic s GLU 149 Cb -0.16 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 3iic s GLU 149 CO 0.04 0.10 -0.21 0.42 -0.54 0.00 0.00 175.26 175.07 3iic s ILE 150 N 0.61 2.32 -0.02 -3.70 1.09 -0.55 -1.05 121.20 119.89 3iic s ILE 150 Ca -0.08 -0.94 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 3iic s ILE 150 Cb -0.16 -1.90 0.01 0.00 -1.06 0.00 0.00 42.46 39.35 3iic s ILE 150 CO 0.03 0.55 -0.04 0.00 -0.10 0.00 0.00 174.94 175.39 3iic s PHE 152 N 0.53 -0.43 -0.02 0.00 2.19 -1.11 -0.41 117.98 118.74 3iic s PHE 152 Ca -0.06 0.99 0.01 0.00 0.33 0.00 0.00 56.93 58.19 3iic s PHE 152 Cb -0.10 0.16 0.01 0.00 -1.31 0.00 0.00 43.02 41.79 3iic s PHE 152 CO -0.00 -0.28 -0.01 -1.83 1.83 0.00 0.00 175.22 174.93 3iic s GLU 153 N -0.14 0.28 0.00 10.12 -1.05 -0.22 -2.49 118.70 125.20 3iic s GLU 153 Ca -0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3iic s GLU 153 Cb -0.03 -0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.28 3iic s GLU 153 CO 0.02 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.59