#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 1.28 0.00 3.53 2.07 -2.05 -2.94 116.25 118.14 3iic h VAL 3 Ca 0.00 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3iic h VAL 3 Cb 0.00 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3iic h VAL 3 CO 0.00 0.59 -0.01 -2.24 0.02 0.00 0.00 177.57 175.94 3iic h ASP 4 N 0.58 0.00 0.10 0.57 -0.00 -2.05 0.77 116.42 116.38 3iic h ASP 4 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.82 3iic h ASP 4 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.60 3iic h ASP 4 CO 0.14 0.01 -0.93 0.15 -0.00 0.00 0.00 179.24 178.60 3iic h PHE 5 N 0.00 0.38 0.04 4.15 3.04 -2.00 -3.40 116.94 119.15 3iic h PHE 5 Ca -0.00 -0.28 -0.00 0.00 3.98 0.00 0.00 57.97 61.67 3iic h PHE 5 Cb 0.06 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.56 3iic h PHE 5 CO 0.00 1.36 -0.02 0.82 -2.02 0.00 0.00 178.31 178.45 3iic h ILE 6 N -0.50 1.20 -0.72 1.41 2.04 -1.24 -3.36 117.51 116.35 3iic h ILE 6 Ca -0.19 -0.80 0.16 0.00 1.00 0.00 0.00 64.86 65.02 3iic h ILE 6 Cb 1.56 1.74 -0.12 0.00 -0.74 0.00 0.00 36.82 39.25 3iic h ILE 6 CO 0.07 0.20 -0.01 0.78 0.00 0.00 0.00 178.15 179.19 3iic h ASN 7 N -0.41 -0.35 -0.82 1.72 2.35 -1.09 -1.94 115.58 115.04 3iic h ASN 7 Ca -0.01 0.19 0.22 0.00 -0.55 0.00 0.00 56.30 56.15 3iic h ASN 7 Cb 0.37 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 3iic h ASN 7 CO 0.01 -0.17 0.57 -0.65 -1.65 0.00 0.00 177.43 175.55 3iic h PRO 8 N 0.10 0.11 -0.00 0.81 0.11 -1.77 0.60 132.00 131.96 3iic h PRO 8 Ca 0.38 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.38 3iic h PRO 8 Cb 0.66 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.75 3iic h PRO 8 CO -0.64 0.08 -0.43 0.74 -0.21 0.00 0.00 178.00 177.54 3iic h PHE 9 N 0.12 0.44 -0.87 0.65 0.04 -1.56 -1.21 116.94 114.55 3iic h PHE 9 Ca 0.40 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 3iic h PHE 9 Cb 1.40 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.46 3iic h PHE 9 CO -0.00 1.05 0.45 -0.07 -0.60 0.00 0.00 178.31 179.14 3iic h LEU 10 N -0.29 1.10 -0.24 1.54 3.38 -1.11 -1.67 115.31 118.02 3iic h LEU 10 Ca -0.05 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 3iic h LEU 10 Cb 1.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3iic h LEU 10 CO 0.09 0.90 -0.67 0.44 0.09 0.00 0.00 178.44 179.29 3iic h ASP 11 N 1.22 0.93 -0.71 -0.43 3.32 0.09 -2.65 116.42 118.19 3iic h ASP 11 Ca 0.30 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3iic h ASP 11 Cb 0.07 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3iic h ASP 11 CO -0.04 1.35 0.41 0.28 -1.72 0.00 0.00 179.24 179.52 3iic h SER 12 N 0.58 0.87 0.58 6.45 0.02 -1.10 0.77 113.55 121.72 3iic h SER 12 Ca -0.02 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3iic h SER 12 Cb 1.29 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3iic h SER 12 CO 0.14 0.69 -0.39 0.25 -1.14 0.00 0.00 176.83 176.38 3iic h LEU 13 N 0.97 -1.00 -1.12 5.07 5.85 -1.29 0.25 115.31 124.04 3iic h LEU 13 Ca 0.25 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.05 3iic h LEU 13 Cb -0.00 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3iic h LEU 13 CO -0.04 -0.59 0.60 -0.07 -0.34 0.00 0.00 178.44 177.99 3iic h LEU 14 N -0.93 1.02 -0.36 2.25 3.38 -1.40 -1.39 115.31 117.88 3iic h LEU 14 Ca -0.07 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3iic h LEU 14 Cb 0.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3iic h LEU 14 CO 0.05 0.73 -0.01 -1.13 0.09 0.00 0.00 178.44 178.18 3iic h ASN 15 N 1.20 0.63 -0.22 -0.43 -1.24 -0.65 -0.82 115.58 114.06 3iic h ASN 15 Ca 0.34 -0.31 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 3iic h ASN 15 Cb -0.11 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 3iic h ASN 15 CO -0.08 0.79 0.12 0.58 -1.29 0.00 0.00 177.43 177.55 3iic h VAL 16 N 0.45 1.12 -0.07 2.57 2.07 -0.11 0.14 116.25 122.42 3iic h VAL 16 Ca 0.10 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3iic h VAL 16 Cb 0.47 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3iic h VAL 16 CO 0.02 0.11 -0.38 -0.07 0.02 0.00 0.00 177.57 177.27 3iic h LEU 17 N 0.24 0.15 0.20 2.57 3.38 -1.26 -3.21 115.31 117.38 3iic h LEU 17 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3iic h LEU 17 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iic h LEU 17 CO -0.01 0.53 -0.10 0.11 0.09 0.00 0.00 178.44 179.06 3iic h LYS 18 N 0.13 -0.26 -0.32 1.13 1.57 -0.95 -1.52 116.57 116.35 3iic h LYS 18 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3iic h LYS 18 Cb 0.74 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3iic h LYS 18 CO 0.06 0.14 0.00 0.25 -0.57 0.00 0.00 179.45 179.33 3iic n THR 19 N -4.99 0.00 0.00 -0.16 -2.24 0.02 -1.76 114.28 105.15 3iic n THR 19 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3iic n THR 19 Cb 0.26 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3iic n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iic n ALA 21 N -0.16 0.00 -3.07 6.98 0.00 -0.61 -5.09 120.51 118.55 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.07 -6.94 -3.15 0.00 5.15 -0.72 -4.88 115.26 104.65 3iic n ASN 22 Ca 0.00 0.66 0.05 0.00 -0.60 0.00 0.00 54.58 54.69 3iic n ASN 22 Cb 0.00 -2.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.51 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 -1.32 0.23 0.41 1.20 2.02 -1.26 -4.98 118.70 114.99 3iic s GLU 24 Ca 0.03 0.22 -0.22 0.00 0.02 0.00 0.00 54.97 55.02 3iic s GLU 24 Cb -0.00 0.10 -0.10 0.00 0.10 0.00 0.00 34.13 34.22 3iic s GLU 24 CO 0.30 -0.42 0.97 -0.51 0.02 0.00 0.00 175.26 175.62 3iic s LEU 25 N 2.92 4.04 -0.37 1.80 1.43 -1.26 -4.92 118.68 122.32 3iic s LEU 25 Ca 0.24 1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 54.97 3iic s LEU 25 Cb -0.03 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3iic s LEU 25 CO -0.24 -0.38 0.45 -0.75 0.23 0.00 0.00 176.35 175.67 3iic s LYS 26 N -2.85 3.47 0.15 1.70 2.47 0.12 -4.84 119.74 119.96 3iic s LYS 26 Ca 0.60 -0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 54.31 3iic s LYS 26 Cb -0.14 -3.85 -0.08 0.00 -1.46 0.00 0.00 37.83 32.30 3iic s LYS 26 CO 0.18 -0.67 1.35 -1.25 0.16 0.00 0.00 175.35 175.12 3iic s PRO 27 N 2.23 4.35 0.13 4.03 0.04 -1.26 -1.08 135.00 143.45 3iic s PRO 27 Ca 0.15 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3iic s PRO 27 Cb -0.16 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.17 3iic s PRO 27 CO 0.13 -0.35 0.18 0.41 0.04 0.00 0.00 177.00 177.41 3iic n GLY 28 N 2.98 1.76 3.69 0.56 0.00 0.07 -4.96 105.19 109.30 3iic n GLY 28 Ca 0.09 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.62 4.26 0.69 1.61 3.01 -1.26 -4.61 119.74 120.81 3iic s LYS 29 Ca 0.13 2.07 -0.11 0.00 -1.01 0.00 0.00 55.97 57.05 3iic s LYS 29 Cb -0.01 -3.57 0.01 0.00 -1.01 0.00 0.00 37.83 33.25 3iic s LYS 29 CO 0.08 -0.61 1.06 -1.25 0.51 0.00 0.00 175.35 175.14 3iic s PRO 30 N 2.41 2.95 -0.17 -1.68 0.04 -1.26 -4.50 135.00 132.79 3iic s PRO 30 Ca 0.67 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.69 3iic s PRO 30 Cb -0.34 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.23 3iic s PRO 30 CO 0.28 -1.09 -0.19 1.21 0.04 0.00 0.00 177.00 177.25 3iic s ASN 31 N -3.73 3.06 0.00 6.66 3.84 -0.06 -4.99 114.94 119.72 3iic s ASN 31 Ca 0.58 -0.62 0.18 0.00 0.21 0.00 0.00 52.86 53.22 3iic s ASN 31 Cb -0.14 -1.43 0.50 0.00 -0.55 0.00 0.00 41.25 39.63 3iic s ASN 31 CO 0.54 0.01 1.42 0.00 -2.79 0.00 0.00 177.10 176.27 3iic n LEU 32 N 4.54 3.53 -1.05 3.21 -0.00 -1.26 -1.17 117.00 124.80 3iic n LEU 32 Ca -0.20 -1.94 -0.04 0.00 -0.00 0.00 0.00 56.01 53.83 3iic n LEU 32 Cb 0.50 -0.37 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 3iic n LEU 32 CO 0.26 0.87 0.28 2.29 -0.00 0.00 0.00 177.39 181.09 3iic n LYS 33 N 1.23 0.00 -3.25 1.47 2.85 -1.26 -4.71 118.16 114.49 3iic n LYS 33 Ca 0.19 -1.12 0.04 0.00 -1.05 0.00 0.00 58.31 56.37 3iic n LYS 33 Cb 0.55 0.33 -0.04 0.00 -0.65 0.00 0.00 35.03 35.21 3iic n LYS 33 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3iic s LYS 34 N 0.00 0.02 0.21 -1.58 0.00 -1.26 -5.19 119.74 111.94 3iic s LYS 34 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 55.97 56.09 3iic s LYS 34 Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 37.83 37.94 3iic s LYS 34 CO -0.03 -0.01 0.05 -0.40 0.00 0.00 0.00 175.35 174.96 3iic n ASP 35 N 4.25 2.27 -1.56 0.03 5.68 -1.26 -4.83 116.55 121.14 3iic n ASP 35 Ca -0.08 -1.84 -0.13 0.00 -0.50 0.00 0.00 54.79 52.24 3iic n ASP 35 Cb 0.56 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.40 -4.05 0.02 -1.12 5.15 -0.69 -4.91 115.26 108.26 3iic n ASN 36 Ca -0.06 -0.05 -0.02 0.00 -0.60 0.00 0.00 54.58 53.84 3iic n ASN 36 Cb 0.25 -3.17 -0.01 0.00 -0.53 0.00 0.00 39.78 36.33 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 -2.00 1.12 -4.66 1.20 4.77 -1.26 -4.95 117.00 111.22 3iic n LEU 37 Ca -0.13 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3iic n LEU 37 Cb 0.60 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3iic n LEU 37 CO 0.20 -0.54 1.59 0.00 -1.33 0.00 0.00 177.39 177.31 3iic s ALA 38 N -2.15 3.60 0.16 -1.18 0.00 -1.26 -4.99 121.76 115.94 3iic s ALA 38 Ca -0.06 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 3iic s ALA 38 Cb 0.01 -3.84 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 3iic s ALA 38 CO 0.08 -1.54 0.67 0.15 0.00 0.00 0.00 175.76 175.12 3iic s LYS 39 N 4.31 4.27 0.17 0.00 -0.14 -1.26 -4.45 119.74 122.63 3iic s LYS 39 Ca 0.88 0.84 -0.02 0.00 -1.36 0.00 0.00 55.97 56.31 3iic s LYS 39 Cb -0.43 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 3iic s LYS 39 CO 0.41 0.51 0.12 0.20 -0.76 0.00 0.00 175.35 175.83 3iic s GLY 40 N -1.42 1.10 -0.16 -3.33 0.00 -0.41 -4.76 107.32 98.33 3iic s GLY 40 Ca 0.37 -1.48 0.12 0.00 0.00 0.00 0.00 44.72 43.73 3iic s GLY 40 CO 0.21 -1.30 0.01 1.22 0.00 0.00 0.00 173.10 173.25 3iic n ASP 41 N -0.18 1.39 -3.81 1.64 8.00 0.46 -0.82 116.55 123.22 3iic n ASP 41 Ca -0.03 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 3iic n ASP 41 Cb 0.64 0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.38 -0.00 -0.00 2.53 0.11 -0.98 -1.67 120.40 118.00 3iic s VAL 42 Ca -0.11 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 3iic s VAL 42 Cb 0.05 -0.24 -0.00 0.00 -1.53 0.00 0.00 36.38 34.65 3iic s VAL 42 CO 0.61 0.00 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.89 3iic s SER 43 N 0.17 0.61 -0.17 3.54 0.01 -0.40 -0.40 113.70 117.06 3iic s SER 43 Ca -0.01 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 3iic s SER 43 Cb -0.02 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 3iic s SER 43 CO -0.00 0.06 0.07 -0.83 0.41 0.00 0.00 173.24 172.94 3iic s GLY 44 N -0.16 1.93 -0.02 3.44 0.00 0.94 -1.45 107.32 111.99 3iic s GLY 44 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3iic s GLY 44 CO -0.00 -0.02 -0.12 1.08 0.00 0.00 0.00 173.10 174.04 3iic s LEU 45 N 0.15 1.88 -0.13 0.66 1.02 0.49 -0.03 118.68 122.72 3iic s LEU 45 Ca 0.05 -0.23 -0.09 0.00 0.02 0.00 0.00 54.13 53.87 3iic s LEU 45 Cb -0.12 -0.66 0.04 0.00 0.02 0.00 0.00 46.19 45.46 3iic s LEU 45 CO 0.00 0.11 0.32 -0.51 0.02 0.00 0.00 176.35 176.29 3iic s ILE 46 N 0.02 -0.01 0.14 -0.59 2.07 -0.11 -0.21 121.20 122.51 3iic s ILE 46 Ca -0.01 0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.28 3iic s ILE 46 Cb -0.08 -0.46 0.03 0.00 0.13 0.00 0.00 42.46 42.08 3iic s ILE 46 CO 0.01 0.02 0.19 0.61 -1.91 0.00 0.00 174.94 173.86 3iic n GLY 47 N 3.43 0.69 0.00 1.50 0.00 -1.26 -0.73 105.19 108.81 3iic n GLY 47 Ca -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.68 0.00 -4.55 1.61 0.31 -0.40 -0.59 118.33 113.02 3iic n VAL 49 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.09 3iic n VAL 49 Cb 0.11 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.96 3iic n VAL 49 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iic s GLY 50 N 0.00 2.72 -0.11 2.92 0.00 0.42 -0.21 107.32 113.07 3iic s GLY 50 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 3iic s GLY 50 CO 0.00 -1.88 1.99 2.56 0.00 0.00 0.00 173.10 175.76 3iic s PRO 51 N -3.71 3.70 -1.56 2.90 0.04 -1.26 -1.87 135.00 133.24 3iic s PRO 51 Ca 0.20 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3iic s PRO 51 Cb 0.02 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.34 3iic s PRO 51 CO 0.13 -1.45 0.00 1.04 0.04 0.00 0.00 177.00 176.76 3iic n GLN 52 N 8.01 -1.69 -3.93 4.56 3.00 -1.26 -4.98 117.38 121.08 3iic n GLN 52 Ca 0.23 0.88 -0.10 0.00 -0.01 0.00 0.00 57.00 58.00 3iic n GLN 52 Cb 0.43 -5.37 -0.12 0.00 0.00 0.00 0.00 30.24 25.18 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 -2.63 0.06 -0.04 5.09 -4.23 -0.78 -4.55 115.64 108.56 3iic s THR 53 Ca 0.00 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.93 3iic s THR 53 Cb 0.00 -0.15 0.01 0.00 1.34 0.00 0.00 72.50 73.71 3iic s THR 53 CO 0.00 -0.27 0.21 -1.59 -0.54 0.00 0.00 174.62 172.43 3iic s LYS 54 N -0.79 0.44 0.07 3.99 -2.85 -1.10 -0.43 119.74 119.07 3iic s LYS 54 Ca -0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 55.97 54.80 3iic s LYS 54 Cb -0.05 0.19 0.01 0.00 -2.06 0.00 0.00 37.83 35.92 3iic s LYS 54 CO -0.01 -0.10 0.12 0.41 0.10 0.00 0.00 175.35 175.88 3iic n GLY 55 N 2.02 2.08 3.54 0.59 0.00 -1.26 -0.63 105.19 111.53 3iic n GLY 55 Ca -0.18 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.36 -0.67 -0.01 1.61 1.04 -0.30 -4.57 113.70 109.45 3iic s SER 56 Ca 0.03 0.96 0.04 0.00 0.48 0.00 0.00 55.95 57.46 3iic s SER 56 Cb -0.01 0.88 -0.01 0.00 0.10 0.00 0.00 66.02 66.98 3iic s SER 56 CO 0.02 -0.46 -0.12 -0.22 0.98 0.00 0.00 173.24 173.44 3iic s LEU 57 N -0.58 2.01 -0.01 2.42 0.20 0.09 -0.54 118.68 122.28 3iic s LEU 57 Ca -0.07 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.55 3iic s LEU 57 Cb -0.02 -0.64 -0.00 0.00 -0.43 0.00 0.00 46.19 45.10 3iic s LEU 57 CO 0.06 0.15 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.26 3iic s SER 58 N -0.27 0.81 -0.22 3.68 1.04 -0.34 -0.93 113.70 117.47 3iic s SER 58 Ca 0.04 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.36 3iic s SER 58 Cb -0.05 -0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.02 3iic s SER 58 CO -0.00 0.08 -0.08 -0.63 0.98 0.00 0.00 173.24 173.58 3iic s ILE 59 N -0.12 1.63 -0.09 -1.02 1.01 0.95 -1.10 121.20 122.46 3iic s ILE 59 Ca 0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 3iic s ILE 59 Cb -0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3iic s ILE 59 CO -0.00 0.04 -0.03 -0.89 0.00 0.00 0.00 174.94 174.06 3iic s THR 60 N 1.38 3.98 -0.03 2.92 2.01 -0.06 -0.04 115.64 125.80 3iic s THR 60 Ca -0.04 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.65 3iic s THR 60 Cb -0.18 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 3iic s THR 60 CO -0.07 0.58 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.91 3iic s PHE 61 N -0.61 1.66 0.48 4.92 0.40 0.46 -0.78 117.98 124.50 3iic s PHE 61 Ca 0.10 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 3iic s PHE 61 Cb -0.12 -1.10 -0.07 0.00 0.51 0.00 0.00 43.02 42.25 3iic s PHE 61 CO 0.02 -0.11 1.18 -1.21 0.70 0.00 0.00 175.22 175.81 3iic s GLU 62 N -0.15 3.65 0.19 0.44 2.02 -0.87 -0.41 118.70 123.56 3iic s GLU 62 Ca 0.01 1.82 -0.13 0.00 0.02 0.00 0.00 54.97 56.68 3iic s GLU 62 Cb -0.10 -2.35 0.19 0.00 0.10 0.00 0.00 34.13 31.98 3iic s GLU 62 CO 0.01 -0.66 1.71 1.49 0.02 0.00 0.00 175.26 177.83 3iic h GLU 63 N 1.90 0.20 -0.67 1.61 4.81 -1.93 -2.02 114.58 118.49 3iic h GLU 63 Ca -0.50 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3iic h GLU 63 Cb 1.26 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3iic h GLU 63 CO 0.60 0.13 0.44 1.79 -0.73 0.00 0.00 179.01 181.24 3iic h THR 64 N 0.21 1.05 0.18 0.32 1.35 -1.93 -1.83 112.91 112.25 3iic h THR 64 Ca 0.25 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3iic h THR 64 Cb 0.35 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 3iic h THR 64 CO -0.35 0.13 -0.09 0.25 -0.25 0.00 0.00 175.52 175.22 3iic h LEU 65 N 0.74 -0.21 -1.13 3.87 5.85 -0.50 -2.68 115.31 121.25 3iic h LEU 65 Ca 0.28 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3iic h LEU 65 Cb 0.17 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3iic h LEU 65 CO -0.08 0.27 0.59 -0.29 -0.34 0.00 0.00 178.44 178.58 3iic h ILE 66 N -0.75 1.22 -0.38 4.05 6.09 -1.37 -1.02 117.51 125.36 3iic h ILE 66 Ca -0.02 -0.41 -0.06 0.00 -1.37 0.00 0.00 64.86 63.00 3iic h ILE 66 Cb 0.51 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.70 3iic h ILE 66 CO 0.04 0.22 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.26 3iic h LEU 67 N 1.19 0.57 -0.48 2.19 3.38 -1.41 -2.65 115.31 118.10 3iic h LEU 67 Ca 0.33 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 3iic h LEU 67 Cb -0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3iic h LEU 67 CO -0.08 0.64 -0.65 -0.08 0.09 0.00 0.00 178.44 178.37 3iic h GLU 68 N 0.57 0.44 -0.88 1.13 4.57 -1.06 -1.88 114.58 117.46 3iic h GLU 68 Ca 0.12 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3iic h GLU 68 Cb 0.37 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3iic h GLU 68 CO 0.01 0.94 0.00 -0.89 -1.18 0.00 0.00 179.01 177.89 3iic n ILE 69 N -3.89 0.02 0.00 2.32 5.41 -0.44 -1.55 119.36 121.24 3iic n ILE 69 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3iic n ILE 69 Cb 0.66 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 0.70 0.00 -0.72 4.38 5.15 -0.71 -4.52 115.26 119.54 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 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.76 0.00 1.20 5.02 -0.59 -0.35 118.16 124.19 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 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.34 0.00 0.00 -0.35 4.77 -1.26 -4.85 117.00 115.64 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 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 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 -0.01 0.25 3.37 -0.72 0.00 0.52 -4.97 105.19 103.63 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 1.85 0.00 0.00 0.00 173.32 175.17 3iic s GLU 76 N -1.06 0.56 -0.26 1.61 2.12 -1.23 -4.99 118.70 115.46 3iic s GLU 76 Ca 0.00 0.63 -0.10 0.00 0.36 0.00 0.00 54.97 55.86 3iic s GLU 76 Cb 0.00 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.62 3iic s GLU 76 CO 0.00 -0.07 0.15 0.21 -0.54 0.00 0.00 175.26 175.01 3iic s LYS 77 N 0.20 3.93 0.00 4.30 2.20 -1.26 -3.63 119.74 125.47 3iic s LYS 77 Ca -0.00 -0.34 0.20 0.00 -0.36 0.00 0.00 55.97 55.46 3iic s LYS 77 Cb -0.03 -3.53 0.97 0.00 -1.51 0.00 0.00 37.83 33.73 3iic s LYS 77 CO 0.01 -0.08 1.61 -2.30 -0.36 0.00 0.00 175.35 174.22 3iic n PRO 78 N 4.72 0.26 0.00 4.03 -0.02 -1.26 -4.94 135.00 137.78 3iic n PRO 78 Ca -0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3iic n PRO 78 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.30 0.00 -4.18 -0.52 1.02 -1.26 -4.88 120.64 109.52 3iic n GLU 79 Ca 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3iic n GLU 79 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.48 3iic n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3iic s SER 80 N 0.00 0.87 -0.18 1.62 0.01 -1.26 -5.11 113.70 109.65 3iic s SER 80 Ca 0.00 -1.12 -0.29 0.00 1.31 0.00 0.00 55.95 55.85 3iic s SER 80 Cb 0.00 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 3iic s SER 80 CO 0.00 -0.59 1.78 -0.63 0.41 0.00 0.00 173.24 174.21 3iic s ILE 81 N -3.78 3.47 0.00 1.44 1.01 -1.26 -4.95 121.20 117.12 3iic s ILE 81 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3iic s ILE 81 Cb 0.06 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3iic s ILE 81 CO -0.01 -0.20 0.00 -0.90 0.00 0.00 0.00 174.94 173.84 3iic n ASP 82 N 8.86 1.79 -0.02 3.58 5.75 -1.26 -5.01 116.55 130.24 3iic n ASP 82 Ca 0.21 -0.83 -0.11 0.00 -0.01 0.00 0.00 54.79 54.05 3iic n ASP 82 Cb 0.44 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.49 3iic n ASP 82 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3iic h GLU 83 N 0.00 0.19 -0.93 0.11 4.57 -2.00 -2.37 114.58 114.15 3iic h GLU 83 Ca 0.00 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 3iic h GLU 83 Cb 0.00 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 3iic h GLU 83 CO 0.00 0.20 0.60 1.49 -1.18 0.00 0.00 179.01 180.12 3iic h GLU 84 N 0.13 0.92 -0.61 1.92 4.81 -1.98 -1.29 114.58 118.49 3iic h GLU 84 Ca 0.05 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3iic h GLU 84 Cb 0.06 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3iic h GLU 84 CO -0.01 0.61 0.19 0.28 -0.73 0.00 0.00 179.01 179.35 3iic h VAL 85 N 0.95 1.24 -0.51 0.32 2.07 -1.87 -1.68 116.25 116.78 3iic h VAL 85 Ca 0.44 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3iic h VAL 85 Cb 0.40 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3iic h VAL 85 CO -0.20 0.31 0.22 0.71 0.02 0.00 0.00 177.57 178.64 3iic h THR 86 N 0.86 1.18 -0.36 2.57 1.35 -0.74 -0.92 112.91 116.86 3iic h THR 86 Ca 0.20 -0.54 -0.03 0.00 -0.55 0.00 0.00 66.41 65.49 3iic h THR 86 Cb 0.29 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 3iic h THR 86 CO -0.01 0.22 0.12 0.44 -0.25 0.00 0.00 175.52 176.04 3iic h ASP 87 N 0.71 0.52 -0.47 5.36 3.32 -1.13 -1.22 116.42 123.51 3iic h ASP 87 Ca 0.18 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3iic h ASP 87 Cb 0.12 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3iic h ASP 87 CO -0.02 0.58 0.20 0.25 -1.72 0.00 0.00 179.24 178.53 3iic h LEU 88 N 0.43 0.24 -0.83 1.55 5.85 -0.74 0.06 115.31 121.86 3iic h LEU 88 Ca 0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3iic h LEU 88 Cb 0.24 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3iic h LEU 88 CO -0.00 0.17 0.48 0.58 -0.34 0.00 0.00 178.44 179.33 3iic h VAL 89 N 0.39 1.24 -0.04 1.05 2.07 -1.04 0.99 116.25 120.91 3iic h VAL 89 Ca 0.22 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3iic h VAL 89 Cb 0.19 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3iic h VAL 89 CO -0.19 0.26 0.02 1.23 0.02 0.00 0.00 177.57 178.91 3iic h GLY 90 N 1.15 0.05 1.00 2.17 0.00 -0.64 -0.87 103.07 105.93 3iic h GLY 90 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3iic h GLY 90 CO -0.05 0.02 0.39 0.83 0.00 0.00 0.00 176.54 177.73 3iic h GLU 91 N 0.02 0.83 -0.85 4.80 4.39 -0.66 -1.28 114.58 121.82 3iic h GLU 91 Ca 0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3iic h GLU 91 Cb 0.03 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3iic h GLU 91 CO -0.00 0.57 0.47 -0.07 -1.16 0.00 0.00 179.01 178.82 3iic h LEU 92 N 0.84 1.06 -0.57 1.33 3.38 -0.65 -2.67 115.31 118.03 3iic h LEU 92 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3iic h LEU 92 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3iic h LEU 92 CO -0.05 0.85 0.32 0.74 0.09 0.00 0.00 178.44 180.40 3iic h THR 93 N 1.19 1.18 0.00 0.22 2.02 -0.70 -0.67 112.91 116.15 3iic h THR 93 Ca 0.30 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3iic h THR 93 Cb 0.02 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3iic h THR 93 CO -0.05 0.19 0.00 0.59 0.37 0.00 0.00 175.52 176.62 3iic n ASN 94 N -4.62 0.12 0.00 4.18 3.02 -0.52 -1.50 115.26 115.94 3iic n ASN 94 Ca 0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3iic n ASN 94 Cb 0.07 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.55 0.00 -0.04 2.41 0.31 -0.26 -0.66 118.33 120.64 3iic n VAL 96 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3iic n VAL 96 Cb 0.03 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.02 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 1.29 -0.26 2.52 2.02 -1.51 -2.37 112.91 114.61 3iic h THR 97 Ca 0.00 -1.58 -0.15 0.00 0.77 0.00 0.00 66.41 65.46 3iic h THR 97 Cb 0.00 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3iic h THR 97 CO 0.00 0.51 -0.41 1.23 0.37 0.00 0.00 175.52 177.22 3iic h GLY 98 N 0.97 0.80 1.35 2.16 0.00 -1.13 -1.30 103.07 105.92 3iic h GLY 98 Ca 0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 3iic h GLY 98 CO 0.08 0.81 0.21 -1.33 0.00 0.00 0.00 176.54 176.32 3iic h GLY 99 N 0.46 0.89 1.05 4.60 0.00 -1.78 -2.26 103.07 106.03 3iic h GLY 99 Ca 0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 3iic h GLY 99 CO 0.09 0.43 -0.39 0.00 0.00 0.00 0.00 176.54 176.67 3iic h ALA 100 N 1.42 0.46 -0.95 3.60 0.00 -1.39 -3.02 119.26 119.38 3iic h ALA 100 Ca 0.19 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3iic h ALA 100 Cb 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3iic h ALA 100 CO -0.02 0.56 0.60 -0.22 0.00 0.00 0.00 179.25 180.18 3iic h LYS 101 N 0.57 1.06 -0.20 0.00 3.64 -0.93 -0.55 116.57 120.17 3iic h LYS 101 Ca 0.04 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3iic h LYS 101 Cb 0.99 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3iic h LYS 101 CO 0.09 0.70 -0.04 -0.91 -2.27 0.00 0.00 179.45 177.02 3iic h ASN 102 N 1.09 0.38 0.13 4.20 2.35 -1.43 -0.92 115.58 121.38 3iic h ASN 102 Ca 0.41 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3iic h ASN 102 Cb 0.18 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3iic h ASN 102 CO -0.18 0.65 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.12 3iic h LEU 103 N 0.10 -0.15 -1.72 1.61 3.38 -1.40 -3.05 115.31 114.08 3iic h LEU 103 Ca 0.05 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3iic h LEU 103 Cb 0.49 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3iic h LEU 103 CO 0.02 0.11 0.22 -0.07 0.09 0.00 0.00 178.44 178.80 3iic h LEU 104 N -0.41 0.33 -1.12 1.67 3.38 -1.14 -1.89 115.31 116.13 3iic h LEU 104 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3iic h LEU 104 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3iic h LEU 104 CO 0.03 0.23 0.07 -1.28 0.09 0.00 0.00 178.44 177.58 3iic h SER 105 N 0.38 0.64 0.14 -0.43 0.87 -0.96 -0.28 113.55 113.91 3iic h SER 105 Ca 0.13 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 3iic h SER 105 Cb 0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3iic h SER 105 CO -0.03 0.67 -0.34 0.44 -0.53 0.00 0.00 176.83 177.05 3iic h ASP 106 N 0.66 0.30 0.32 6.23 3.32 -1.24 -2.94 116.42 123.07 3iic h ASP 106 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3iic h ASP 106 Cb 0.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3iic h ASP 106 CO 0.00 0.62 0.00 0.29 -1.72 0.00 0.00 179.24 178.44 3iic n LYS 107 N -4.08 0.64 -0.24 3.56 5.02 -0.89 -4.93 118.16 117.24 3iic n LYS 107 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3iic n LYS 107 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 1.06 0.72 3.51 0.72 0.00 -0.99 -5.07 105.19 105.15 3iic n GLY 108 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.29 3.21 -0.09 1.61 2.02 -0.17 -4.99 117.35 116.65 3iic s TYR 109 Ca 0.00 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 3iic s TYR 109 Cb 0.00 -2.68 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 3iic s TYR 109 CO 0.00 -0.52 -0.10 -1.83 -1.57 0.00 0.00 175.55 171.53 3iic s GLU 110 N 1.93 2.92 0.05 -0.62 -1.05 -1.26 -2.74 118.70 117.93 3iic s GLU 110 Ca 0.10 -0.62 -0.27 0.00 -0.15 0.00 0.00 54.97 54.03 3iic s GLU 110 Cb -0.17 -2.58 0.07 0.00 -0.44 0.00 0.00 34.13 31.01 3iic s GLU 110 CO 0.12 0.51 0.63 -0.59 0.95 0.00 0.00 175.26 176.88 3iic s PHE 111 N -0.40 -0.59 0.00 4.83 -0.12 -1.26 -4.32 117.98 116.12 3iic s PHE 111 Ca 0.05 0.74 0.00 0.00 -0.05 0.00 0.00 56.93 57.67 3iic s PHE 111 Cb -0.12 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 3iic s PHE 111 CO 0.02 -0.72 0.00 -0.25 -0.05 0.00 0.00 175.22 174.23 3iic n ASP 112 N 0.32 1.02 -1.68 1.98 8.00 0.71 -4.95 116.55 121.94 3iic n ASP 112 Ca -0.18 -0.41 -0.03 0.00 0.71 0.00 0.00 54.79 54.88 3iic n ASP 112 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.09 -2.00 2.24 0.00 0.24 -1.28 120.51 116.81 3iic n ALA 114 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3iic n ALA 114 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 3iic n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iic s THR 115 N -1.87 3.32 0.44 0.00 2.01 -1.26 -4.78 115.64 113.49 3iic s THR 115 Ca 0.04 1.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.93 3iic s THR 115 Cb 0.00 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 3iic s THR 115 CO 0.03 0.18 1.05 -2.16 -0.69 0.00 0.00 174.62 173.03 3iic s PRO 116 N -0.33 4.00 -0.09 4.92 0.04 -1.26 -4.61 135.00 137.66 3iic s PRO 116 Ca 0.54 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.08 3iic s PRO 116 Cb -0.35 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 3iic s PRO 116 CO 0.39 -0.28 -0.17 0.42 0.04 0.00 0.00 177.00 177.40 3iic s ILE 117 N -1.77 2.78 -0.16 0.56 1.01 0.70 -4.96 121.20 119.35 3iic s ILE 117 Ca 0.62 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3iic s ILE 117 Cb -0.20 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3iic s ILE 117 CO 0.25 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 175.00 3iic s VAL 118 N -0.10 3.55 -0.16 2.92 1.01 -1.26 -0.38 120.40 125.98 3iic s VAL 118 Ca -0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3iic s VAL 118 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3iic s VAL 118 CO 0.04 0.48 -0.00 -0.69 0.00 0.00 0.00 175.10 174.93 3iic s VAL 119 N 0.61 4.22 -0.15 2.92 1.01 -0.53 -4.98 120.40 123.50 3iic s VAL 119 Ca -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3iic s VAL 119 Cb -0.15 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3iic s VAL 119 CO 0.03 0.49 -0.19 -0.44 0.00 0.00 0.00 175.10 174.99 3iic s SER 120 N 0.25 2.94 -0.30 3.32 0.01 -1.26 -1.27 113.70 117.39 3iic s SER 120 Ca -0.00 -0.57 -0.20 0.00 1.31 0.00 0.00 55.95 56.49 3iic s SER 120 Cb -0.13 -1.35 0.20 0.00 0.21 0.00 0.00 66.02 64.94 3iic s SER 120 CO 0.02 0.03 1.33 -0.83 0.41 0.00 0.00 173.24 174.19 3iic s GLY 121 N 1.07 0.49 0.04 3.44 0.00 -0.67 -5.03 107.32 106.66 3iic s GLY 121 Ca -0.02 3.68 -0.30 0.00 0.00 0.00 0.00 44.72 48.08 3iic s GLY 121 CO -0.06 2.40 1.84 1.25 0.00 0.00 0.00 173.10 178.53 3iic s LYS 122 N 0.61 4.16 -1.36 2.90 2.20 -1.26 -3.40 119.74 123.58 3iic s LYS 122 Ca -0.01 2.49 -0.06 0.00 -0.36 0.00 0.00 55.97 58.03 3iic s LYS 122 Cb -0.03 -3.94 0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3iic s LYS 122 CO -0.12 -0.88 0.97 0.09 -0.36 0.00 0.00 175.35 175.05 3iic n ASN 123 N 6.84 -3.73 -4.85 1.43 3.02 -0.80 -4.97 115.26 112.19 3iic n ASN 123 Ca 0.18 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.73 3iic n ASN 123 Cb 0.41 -4.51 -0.04 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.41 3.43 0.16 3.10 -3.43 0.00 -4.69 115.29 110.45 3iic s HIS 124 Ca 0.33 1.30 0.07 0.00 -0.80 0.00 0.00 55.06 55.97 3iic s HIS 124 Cb -0.16 -2.64 -0.04 0.00 -1.43 0.00 0.00 32.58 28.31 3iic s HIS 124 CO 0.78 -0.18 -0.03 0.95 -2.00 0.00 0.00 174.74 174.25 3iic s THR 125 N -2.39 3.57 -0.02 -5.38 -4.23 -1.26 -1.29 115.64 104.65 3iic s THR 125 Ca 0.56 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 3iic s THR 125 Cb -0.10 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3iic s THR 125 CO 0.27 -0.07 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.46 3iic s ILE 126 N -1.64 2.67 -0.04 2.99 1.01 -1.26 -5.00 121.20 119.91 3iic s ILE 126 Ca 0.26 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 3iic s ILE 126 Cb -0.09 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.37 3iic s ILE 126 CO 0.17 0.53 -0.00 0.00 0.00 0.00 0.00 174.94 175.64 3iic s ALA 127 N -0.73 0.46 -0.37 9.38 0.00 -1.26 -1.70 121.76 127.54 3iic s ALA 127 Ca 0.12 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 3iic s ALA 127 Cb -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3iic s ALA 127 CO 0.01 -0.21 0.58 -1.01 0.00 0.00 0.00 175.76 175.13 3iic s HIS 128 N 1.37 3.15 -0.72 0.00 3.76 -1.26 -5.02 115.29 116.56 3iic s HIS 128 Ca -0.05 0.17 -0.19 0.00 -0.15 0.00 0.00 55.06 54.84 3iic s HIS 128 Cb -0.13 -3.08 0.12 0.00 1.11 0.00 0.00 32.58 30.59 3iic s HIS 128 CO -0.02 -0.64 0.87 0.15 -0.85 0.00 0.00 174.74 174.24 3iic s LYS 129 N 2.58 3.27 -0.15 1.40 -0.14 -1.26 -4.95 119.74 120.48 3iic s LYS 129 Ca 0.21 -1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.05 3iic s LYS 129 Cb -0.15 -4.45 0.12 0.00 -1.68 0.00 0.00 37.83 31.67 3iic s LYS 129 CO 0.15 -1.63 0.94 0.45 -0.76 0.00 0.00 175.35 174.50 3iic s SER 130 N 3.47 -0.44 0.00 2.83 0.15 -1.26 -5.03 113.70 113.43 3iic s SER 130 Ca 0.20 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.63 3iic s SER 130 Cb -0.16 0.42 1.31 0.00 -1.71 0.00 0.00 66.02 65.88 3iic s SER 130 CO 0.01 -0.37 1.89 0.47 1.20 0.00 0.00 173.24 176.44 3iic n ASP 131 N 0.94 0.00 -3.49 5.45 8.00 -1.26 -4.89 116.55 121.30 3iic n ASP 131 Ca -0.12 -0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 3iic n ASP 131 Cb 0.57 -0.31 0.28 0.00 -0.02 0.00 0.00 41.12 41.65 3iic n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iic s GLY 132 N -2.61 1.47 0.03 0.44 0.00 -1.26 -5.00 107.32 100.38 3iic s GLY 132 Ca 0.24 -0.90 -0.27 0.00 0.00 0.00 0.00 44.72 43.78 3iic s GLY 132 CO 0.41 0.09 0.87 1.20 0.00 0.00 0.00 173.10 175.66 3iic s GLN 133 N -5.22 4.56 0.21 2.90 -0.21 -0.90 -4.85 119.66 116.15 3iic s GLN 133 Ca 0.70 1.23 0.11 0.00 0.02 0.00 0.00 55.36 57.42 3iic s GLN 133 Cb -0.11 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 3iic s GLN 133 CO 0.57 0.13 -0.20 0.15 -2.12 0.00 0.00 175.29 173.82 3iic s LYS 134 N 0.41 1.67 -0.07 2.91 1.02 -1.26 -2.28 119.74 122.15 3iic s LYS 134 Ca 0.44 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 3iic s LYS 134 Cb -0.21 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 3iic s LYS 134 CO 0.25 0.39 0.16 -1.50 -0.92 0.00 0.00 175.35 173.73 3iic s ILE 135 N -1.86 -0.06 0.53 2.17 2.07 -0.83 -4.66 121.20 118.56 3iic s ILE 135 Ca 0.24 0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.69 3iic s ILE 135 Cb -0.07 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.28 3iic s ILE 135 CO 0.12 0.08 0.20 -0.38 -1.91 0.00 0.00 174.94 173.05 3iic n ILE 136 N 4.28 0.00 -4.03 2.00 -0.00 -0.32 -1.61 119.36 119.68 3iic n ILE 136 Ca -0.25 -2.29 -0.12 0.00 -0.00 0.00 0.00 62.75 60.08 3iic n ILE 136 Cb 0.52 0.23 -0.12 0.00 -0.00 0.00 0.00 39.64 40.27 3iic n ILE 136 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3iic s PRO 138 N -4.04 0.38 -0.10 0.38 0.04 -1.26 -0.88 135.00 129.52 3iic s PRO 138 Ca 0.15 -0.52 -0.01 0.00 0.04 0.00 0.00 61.00 60.66 3iic s PRO 138 Cb -0.01 -0.16 0.03 0.00 0.04 0.00 0.00 34.50 34.40 3iic s PRO 138 CO 0.10 0.03 -0.03 -0.06 0.04 0.00 0.00 177.00 177.08 3iic s PHE 139 N -1.02 1.02 0.19 0.56 0.08 0.10 -0.75 117.98 118.16 3iic s PHE 139 Ca -0.08 -0.44 0.09 0.00 0.12 0.00 0.00 56.93 56.62 3iic s PHE 139 Cb -0.07 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 3iic s PHE 139 CO -0.00 -0.42 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.07 3iic s SER 140 N 1.86 4.27 0.29 1.36 1.04 -0.24 -0.75 113.70 121.54 3iic s SER 140 Ca 0.05 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.91 3iic s SER 140 Cb -0.13 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 3iic s SER 140 CO -0.07 0.10 0.30 -0.94 0.98 0.00 0.00 173.24 173.61 3iic s SER 141 N -2.88 0.97 0.61 7.02 1.04 -0.41 0.12 113.70 120.17 3iic s SER 141 Ca 0.25 -1.54 0.32 0.00 0.48 0.00 0.00 55.95 55.47 3iic s SER 141 Cb -0.09 0.54 1.93 0.00 0.10 0.00 0.00 66.02 68.50 3iic s SER 141 CO 0.15 -1.06 2.27 0.16 0.98 0.00 0.00 173.24 175.74 3iic h ILE 142 N 2.27 0.43 -0.12 -1.02 3.07 -2.01 -2.73 117.51 117.40 3iic h ILE 142 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3iic h ILE 142 Cb 1.24 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3iic h ILE 142 CO 0.41 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.29 3iic n TYR 143 N -3.71 0.15 0.00 0.16 4.01 -1.26 -5.04 117.16 111.47 3iic n TYR 143 Ca -0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3iic n TYR 143 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.08 0.76 3.34 2.72 0.00 -1.03 -1.39 105.19 110.65 3iic n GLY 144 Ca 0.16 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.02 2.06 0.08 2.61 2.01 -1.26 -1.28 115.64 118.84 3iic s THR 145 Ca 0.00 -1.47 0.09 0.00 0.31 0.00 0.00 61.69 60.63 3iic s THR 145 Cb 0.00 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 3iic s THR 145 CO 0.00 0.24 -0.24 0.00 -0.69 0.00 0.00 174.62 173.93 3iic s ALA 146 N -0.89 2.40 -0.11 7.40 0.00 0.08 -2.06 121.76 128.57 3iic s ALA 146 Ca 0.11 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3iic s ALA 146 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3iic s ALA 146 CO 0.03 0.55 -0.18 0.71 0.00 0.00 0.00 175.76 176.87 3iic s TYR 147 N -0.93 2.22 -0.20 0.00 2.02 0.04 -0.72 117.35 119.77 3iic s TYR 147 Ca 0.14 -1.04 -0.05 0.00 -0.37 0.00 0.00 57.07 55.75 3iic s TYR 147 Cb -0.10 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3iic s TYR 147 CO 0.05 -0.50 0.00 -1.50 -1.57 0.00 0.00 175.55 172.03 3iic s ILE 148 N 0.83 3.97 -0.11 2.71 2.07 -1.26 -0.88 121.20 128.53 3iic s ILE 148 Ca -0.09 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 58.88 3iic s ILE 148 Cb -0.16 -2.79 0.00 0.00 0.13 0.00 0.00 42.46 39.64 3iic s ILE 148 CO 0.00 0.43 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.53 3iic s GLU 149 N 0.98 3.07 -0.08 3.50 2.12 -0.26 -4.28 118.70 123.74 3iic s GLU 149 Ca 0.02 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 54.52 3iic s GLU 149 Cb -0.14 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.91 3iic s GLU 149 CO 0.02 0.16 -0.22 0.42 -0.54 0.00 0.00 175.26 175.10 3iic s ILE 150 N 0.39 1.85 -0.02 -3.70 1.01 -0.63 -1.20 121.20 118.91 3iic s ILE 150 Ca -0.17 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.59 3iic s ILE 150 Cb -0.18 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 3iic s ILE 150 CO 0.08 0.52 -0.11 0.00 0.00 0.00 0.00 174.94 175.42 3iic s PHE 152 N -0.11 -0.31 0.04 0.00 0.08 -0.96 -1.15 117.98 115.58 3iic s PHE 152 Ca 0.02 0.69 0.06 0.00 0.12 0.00 0.00 56.93 57.82 3iic s PHE 152 Cb -0.06 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.47 3iic s PHE 152 CO -0.00 -0.25 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.53 3iic s GLU 153 N -0.33 2.24 0.00 0.44 2.02 0.20 -2.12 118.70 121.15 3iic s GLU 153 Ca -0.05 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.04 3iic s GLU 153 Cb -0.03 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3iic s GLU 153 CO 0.02 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.26