#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iol s VAL 30 N 0.00 4.30 0.57 12.58 1.01 -1.26 -5.01 120.40 132.58 3iol s VAL 30 Ca 0.00 1.49 -0.09 0.00 0.00 0.00 0.00 61.98 63.38 3iol s VAL 30 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3iol s VAL 30 CO 0.00 -0.43 0.94 -0.94 0.00 0.00 0.00 175.10 174.67 3iol s SER 31 N 2.26 6.26 0.17 3.32 1.04 -1.26 -4.96 113.70 120.53 3iol s SER 31 Ca 0.52 1.26 -0.15 0.00 0.48 0.00 0.00 55.95 58.07 3iol s SER 31 Cb -0.16 -2.40 0.12 0.00 0.10 0.00 0.00 66.02 63.69 3iol s SER 31 CO 0.19 -0.75 1.74 0.25 0.98 0.00 0.00 173.24 175.65 3iol h LEU 32 N -0.05 0.11 -0.37 2.42 5.85 -1.99 -2.08 115.31 119.20 3iol h LEU 32 Ca -0.45 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 3iol h LEU 32 Cb 1.19 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3iol h LEU 32 CO 0.62 0.10 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.55 3iol h TRP 33 N 0.29 0.74 -0.31 1.25 -0.00 -1.99 0.13 115.95 116.06 3iol h TRP 33 Ca 0.20 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.89 58.91 3iol h TRP 33 Cb 0.21 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 3iol h TRP 33 CO -0.17 0.77 -0.03 1.05 -0.00 0.00 0.00 178.44 180.07 3iol h GLU 34 N 0.48 0.48 -0.47 2.65 4.11 -1.93 -1.43 114.58 118.47 3iol h GLU 34 Ca 0.10 -0.11 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 3iol h GLU 34 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3iol h GLU 34 CO 0.02 0.53 -0.22 1.15 0.07 0.00 0.00 179.01 180.56 3iol h THR 35 N 0.46 1.27 -0.28 -1.06 2.02 -0.79 -1.52 112.91 113.02 3iol h THR 35 Ca 0.10 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 3iol h THR 35 Cb 0.35 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3iol h THR 35 CO 0.01 0.48 0.02 0.58 0.37 0.00 0.00 175.52 176.97 3iol h VAL 36 N 0.84 1.25 -0.34 3.16 2.07 -0.38 0.11 116.25 122.96 3iol h VAL 36 Ca 0.11 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.81 3iol h VAL 36 Cb 0.79 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3iol h VAL 36 CO 0.07 0.28 -0.06 1.56 0.02 0.00 0.00 177.57 179.44 3iol h GLN 37 N 0.28 0.02 -0.54 1.57 4.20 -1.20 0.86 115.11 120.31 3iol h GLN 37 Ca 0.08 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3iol h GLN 37 Cb 0.40 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3iol h GLN 37 CO 0.01 0.02 0.29 0.87 -0.67 0.00 0.00 178.83 179.35 3iol h LYS 38 N 0.03 0.76 -0.21 1.46 1.57 -1.09 -2.48 116.57 116.61 3iol h LYS 38 Ca 0.16 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3iol h LYS 38 Cb 0.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3iol h LYS 38 CO -0.33 0.60 0.08 2.35 -0.57 0.00 0.00 179.45 181.57 3iol h TRP 39 N 0.73 0.14 -0.76 -1.35 7.01 0.13 0.11 115.95 121.96 3iol h TRP 39 Ca 0.19 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.34 3iol h TRP 39 Cb 0.06 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 27.00 3iol h TRP 39 CO -0.01 0.07 0.31 0.00 -2.79 0.00 0.00 178.44 176.02 3iol h ARG 40 N 0.18 0.44 -0.38 2.65 3.08 -0.64 0.16 114.38 119.87 3iol h ARG 40 Ca 0.09 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3iol h ARG 40 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iol h ARG 40 CO -0.09 0.29 -0.11 1.49 -1.07 0.00 0.00 179.97 180.49 3iol h GLU 41 N 0.45 0.75 -0.37 0.04 4.57 -1.00 0.32 114.58 119.34 3iol h GLU 41 Ca 0.42 -0.29 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 3iol h GLU 41 Cb 0.63 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.11 3iol h GLU 41 CO -0.40 0.90 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.35 3iol h TYR 42 N 0.55 -0.12 -0.85 0.92 3.20 -0.14 -0.52 116.97 120.01 3iol h TYR 42 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3iol h TYR 42 Cb 0.63 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3iol h TYR 42 CO 0.05 -0.12 0.47 -0.09 -1.64 0.00 0.00 178.16 176.82 3iol h ARG 43 N 0.04 1.18 0.43 1.82 2.43 -0.58 -0.89 114.38 118.81 3iol h ARG 43 Ca 0.18 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3iol h ARG 43 Cb 0.26 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3iol h ARG 43 CO -0.35 0.87 -0.26 -0.09 -1.51 0.00 0.00 179.97 178.63 3iol h ARG 44 N 1.18 -0.64 -0.89 0.20 2.43 -0.38 0.15 114.38 116.43 3iol h ARG 44 Ca 0.30 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 3iol h ARG 44 Cb 0.03 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3iol h ARG 44 CO -0.05 -0.43 0.59 1.96 -1.51 0.00 0.00 179.97 180.54 3iol h GLN 45 N -0.66 1.10 0.07 0.20 4.20 -1.03 -2.03 115.11 116.96 3iol h GLN 45 Ca -0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3iol h GLN 45 Cb 0.54 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3iol h GLN 45 CO 0.05 0.73 -0.03 0.00 -0.67 0.00 0.00 178.83 178.91 3iol h GLN 47 N -0.31 0.75 -0.49 0.00 4.20 -0.82 0.33 115.11 118.77 3iol h GLN 47 Ca -0.01 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3iol h GLN 47 Cb 0.27 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3iol h GLN 47 CO 0.02 0.49 0.15 -0.09 -0.67 0.00 0.00 178.83 178.73 3iol h ARG 48 N 0.77 0.76 -0.50 1.46 2.43 -1.13 -2.21 114.38 115.96 3iol h ARG 48 Ca 0.47 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3iol h ARG 48 Cb 0.67 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3iol h ARG 48 CO -0.23 0.71 0.26 0.77 -1.51 0.00 0.00 179.97 179.97 3iol h SER 49 N 0.65 0.63 -0.83 -3.80 0.02 -0.78 0.11 113.55 109.56 3iol h SER 49 Ca 0.16 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 3iol h SER 49 Cb 0.27 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 3iol h SER 49 CO -0.01 0.56 0.48 -0.07 -1.14 0.00 0.00 176.83 176.66 3iol h LEU 50 N 0.66 0.71 -0.00 5.07 3.38 -0.14 -0.38 115.31 124.61 3iol h LEU 50 Ca 0.17 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 3iol h LEU 50 Cb 0.08 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.75 3iol h LEU 50 CO -0.03 0.42 -1.03 0.74 0.09 0.00 0.00 178.44 178.63 3iol h THR 51 N 0.83 1.28 0.00 0.22 2.02 -1.26 -3.39 112.91 112.61 3iol h THR 51 Ca 0.39 -2.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 3iol h THR 51 Cb 0.31 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3iol h THR 51 CO -0.23 0.69 -1.87 -0.62 0.37 0.00 0.00 175.52 173.87 3iol n GLU 52 N -3.87 0.65 -2.05 6.66 1.02 0.38 -4.92 120.64 118.52 3iol n GLU 52 Ca -0.11 -0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 56.50 3iol n GLU 52 Cb 0.88 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.71 3iol n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iol s ASP 53 N -4.75 6.55 0.70 1.62 1.01 -0.18 -4.96 116.67 116.67 3iol s ASP 53 Ca -0.07 2.72 -0.16 0.00 0.71 0.00 0.00 52.55 55.76 3iol s ASP 53 Cb 0.13 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.43 3iol s ASP 53 CO 0.88 -0.69 1.20 -2.84 0.21 0.00 0.00 175.17 173.93 3iol s PRO 54 N -2.00 2.31 0.81 8.23 0.02 -1.26 -4.97 135.00 138.15 3iol s PRO 54 Ca 0.52 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 3iol s PRO 54 Cb -0.40 -1.85 0.09 0.00 0.02 0.00 0.00 34.50 32.35 3iol s PRO 54 CO 0.53 -1.70 1.13 -2.14 -0.33 0.00 0.00 177.00 174.49 3iol s PRO 55 N -3.83 1.77 0.68 5.54 0.02 -1.26 -4.97 135.00 132.95 3iol s PRO 55 Ca 0.74 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 3iol s PRO 55 Cb -0.29 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.42 3iol s PRO 55 CO 0.43 -2.05 1.08 -1.25 -0.33 0.00 0.00 177.00 174.88 3iol s PRO 56 N -4.57 2.80 0.30 5.54 0.04 -1.26 -4.93 135.00 132.92 3iol s PRO 56 Ca 0.66 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.94 3iol s PRO 56 Cb -0.22 -1.96 0.70 0.00 0.04 0.00 0.00 34.50 33.06 3iol s PRO 56 CO 0.54 -1.22 1.78 0.00 0.04 0.00 0.00 177.00 178.14 3iol h ALA 57 N -0.36 1.62 -2.42 8.56 0.00 -2.00 -3.43 119.26 121.22 3iol h ALA 57 Ca -0.45 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3iol h ALA 57 Cb 1.23 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3iol h ALA 57 CO 0.55 -0.03 -0.69 -0.08 0.00 0.00 0.00 179.25 179.00 3iol s THR 58 N -5.88 0.27 -1.39 0.00 -1.32 -1.26 -5.03 115.64 101.03 3iol s THR 58 Ca -0.11 -1.62 0.20 0.00 -1.21 0.00 0.00 61.69 58.95 3iol s THR 58 Cb 0.24 -1.25 0.34 0.00 -1.51 0.00 0.00 72.50 70.32 3iol s THR 58 CO 0.80 -0.86 1.64 0.47 -2.21 0.00 0.00 174.62 174.46 3iol n ASP 59 N 0.44 0.00 0.18 8.08 8.00 -1.26 -1.90 116.55 130.09 3iol n ASP 59 Ca -0.16 0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.52 3iol n ASP 59 Cb 0.60 -0.31 0.56 0.00 -0.02 0.00 0.00 41.12 41.95 3iol n ASP 59 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3iol h LEU 60 N 0.00 0.00 -9.95 0.64 -0.00 -1.95 -3.45 115.31 100.61 3iol h LEU 60 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 3iol h LEU 60 Cb 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 40.66 40.95 3iol h LEU 60 CO 0.00 0.00 0.62 -0.36 -0.00 0.00 0.00 178.44 178.70 3iol s PHE 61 N -3.44 2.80 0.44 1.13 2.99 -0.80 -3.58 117.98 117.53 3iol s PHE 61 Ca 0.03 1.40 -0.25 0.00 0.00 0.00 0.00 56.93 58.12 3iol s PHE 61 Cb 0.09 -3.68 -0.08 0.00 0.00 0.00 0.00 43.02 39.35 3iol s PHE 61 CO 0.45 -2.13 1.31 0.00 -0.00 0.00 0.00 175.22 174.85 3iol s ASN 63 N -0.82 7.20 0.50 0.00 0.02 -1.26 -0.87 114.94 119.70 3iol s ASN 63 Ca 0.61 1.45 -0.19 0.00 -1.02 0.00 0.00 52.86 53.71 3iol s ASN 63 Cb -0.38 -2.50 -0.14 0.00 0.02 0.00 0.00 41.25 38.25 3iol s ASN 63 CO 0.48 -0.18 0.02 -2.11 0.02 0.00 0.00 177.10 175.33 3iol n ARG 64 N 3.77 0.09 -3.59 -0.60 1.85 -1.25 -4.74 116.66 112.19 3iol n ARG 64 Ca 0.02 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.79 3iol n ARG 64 Cb 0.51 -1.12 -0.06 0.00 -1.05 0.00 0.00 32.46 30.74 3iol n ARG 64 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3iol s THR 65 N -1.90 0.00 -0.25 8.89 -1.32 -0.57 -4.94 115.64 115.54 3iol s THR 65 Ca 0.59 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.97 3iol s THR 65 Cb -0.51 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.43 3iol s THR 65 CO 0.64 0.00 0.15 0.12 -2.21 0.00 0.00 174.62 173.32 3iol s PHE 66 N -0.67 3.23 -0.71 9.09 5.36 -1.26 -0.47 117.98 132.55 3iol s PHE 66 Ca -0.02 0.07 0.16 0.00 -0.96 0.00 0.00 56.93 56.17 3iol s PHE 66 Cb -0.02 -2.30 0.56 0.00 -0.34 0.00 0.00 43.02 40.93 3iol s PHE 66 CO 0.01 -0.09 1.48 -0.40 -1.46 0.00 0.00 175.22 174.76 3iol n ASP 67 N 4.66 4.09 0.00 6.13 5.68 -1.14 -4.93 116.55 131.04 3iol n ASP 67 Ca -0.15 -2.55 0.00 0.00 -0.50 0.00 0.00 54.79 51.59 3iol n ASP 67 Cb 0.52 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3iol n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iol n GLU 68 N 0.41 0.00 -0.06 0.11 -0.58 -1.26 -4.78 120.64 114.48 3iol n GLU 68 Ca 0.21 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.84 3iol n GLU 68 Cb 0.80 -0.62 -0.04 0.00 -0.57 0.00 0.00 31.44 31.00 3iol n GLU 68 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3iol n TYR 69 N -2.00 0.00 -4.21 -0.32 9.36 -1.26 -5.07 117.16 113.67 3iol n TYR 69 Ca 0.00 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.07 3iol n TYR 69 Cb 0.00 -0.44 -0.11 0.00 -0.63 0.00 0.00 39.34 38.16 3iol n TYR 69 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3iol s ALA 70 N -2.46 1.26 -0.37 2.98 0.00 -1.26 -4.83 121.76 117.07 3iol s ALA 70 Ca -0.21 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 3iol s ALA 70 Cb 0.05 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3iol s ALA 70 CO 0.28 -0.04 0.70 0.00 0.00 0.00 0.00 175.76 176.71 3iol s TRP 72 N 2.91 3.38 0.99 0.00 0.52 0.38 -4.93 118.94 122.19 3iol s TRP 72 Ca 0.27 0.32 -0.14 0.00 0.02 0.00 0.00 56.10 56.57 3iol s TRP 72 Cb -0.14 -2.22 0.19 0.00 -1.15 0.00 0.00 33.47 30.15 3iol s TRP 72 CO 0.16 0.19 1.15 -1.25 0.02 0.00 0.00 176.95 177.23 3iol s PRO 73 N 0.65 0.45 0.81 4.98 0.04 -1.26 -1.52 135.00 139.15 3iol s PRO 73 Ca 0.09 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 3iol s PRO 73 Cb -0.12 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.72 3iol s PRO 73 CO 0.01 -2.64 1.10 -0.25 0.04 0.00 0.00 177.00 175.26 3iol n ASP 74 N -4.04 0.64 -4.23 6.66 8.00 -1.26 -3.88 116.55 118.44 3iol n ASP 74 Ca 0.09 0.57 -0.27 0.00 0.71 0.00 0.00 54.79 55.89 3iol n ASP 74 Cb 0.59 -1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.07 3iol n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iol s GLY 75 N -2.08 1.03 0.30 0.44 0.00 -0.05 -4.87 107.32 102.09 3iol s GLY 75 Ca 0.72 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 3iol s GLY 75 CO 0.53 -0.78 1.36 -0.54 0.00 0.00 0.00 173.10 173.67 3iol s GLU 76 N -0.58 4.32 0.30 2.90 2.02 -1.26 0.14 118.70 126.54 3iol s GLU 76 Ca 0.08 2.25 -0.30 0.00 0.02 0.00 0.00 54.97 57.02 3iol s GLU 76 Cb -0.08 -3.09 -0.12 0.00 0.10 0.00 0.00 34.13 30.94 3iol s GLU 76 CO -0.00 -0.28 1.44 -0.35 0.02 0.00 0.00 175.26 176.08 3iol n PRO 77 N 1.43 2.33 -2.56 0.39 -0.04 -1.26 -2.74 135.00 132.55 3iol n PRO 77 Ca 0.03 0.82 -0.12 0.00 -0.04 0.00 0.00 63.50 64.19 3iol n PRO 77 Cb 0.41 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.38 3iol n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iol n GLY 78 N 1.53 -0.03 3.15 0.55 0.00 0.19 -4.80 105.19 105.79 3iol n GLY 78 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3iol n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iol s SER 79 N -2.73 0.87 0.17 1.61 1.04 -0.65 -4.97 113.70 109.03 3iol s SER 79 Ca 0.12 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 3iol s SER 79 Cb -0.05 0.15 -0.08 0.00 0.10 0.00 0.00 66.02 66.14 3iol s SER 79 CO 0.15 -0.55 0.82 -0.36 0.98 0.00 0.00 173.24 174.28 3iol s PHE 80 N -3.76 3.90 -0.11 5.02 0.08 -1.26 0.11 117.98 121.96 3iol s PHE 80 Ca 0.13 1.68 0.01 0.00 0.12 0.00 0.00 56.93 58.88 3iol s PHE 80 Cb 0.06 -2.83 -0.01 0.00 -0.57 0.00 0.00 43.02 39.67 3iol s PHE 80 CO -0.05 0.47 -0.15 0.08 -0.10 0.00 0.00 175.22 175.48 3iol s VAL 81 N -1.00 2.92 0.05 -0.44 1.01 -0.35 -4.92 120.40 117.67 3iol s VAL 81 Ca 0.37 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.72 3iol s VAL 81 Cb -0.23 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3iol s VAL 81 CO 0.27 0.54 -0.24 0.54 0.00 0.00 0.00 175.10 176.21 3iol s ASN 82 N 0.18 2.91 0.04 3.32 2.20 -1.26 -1.92 114.94 120.41 3iol s ASN 82 Ca -0.08 -0.58 0.02 0.00 -0.94 0.00 0.00 52.86 51.28 3iol s ASN 82 Cb -0.15 -0.25 -0.02 0.00 -2.00 0.00 0.00 41.25 38.82 3iol s ASN 82 CO 0.05 0.22 -0.08 0.54 -2.94 0.00 0.00 177.10 174.89 3iol s VAL 83 N -0.82 0.56 0.57 3.54 0.11 -0.55 -4.97 120.40 118.84 3iol s VAL 83 Ca 0.10 -1.05 -0.20 0.00 -2.93 0.00 0.00 61.98 57.90 3iol s VAL 83 Cb -0.10 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 3iol s VAL 83 CO 0.02 -0.35 1.10 -1.20 -3.33 0.00 0.00 175.10 171.34 3iol n SER 84 N 1.52 1.46 -4.60 3.54 7.64 -1.26 -0.40 113.62 121.52 3iol n SER 84 Ca -0.22 0.88 -0.52 0.00 1.01 0.00 0.00 58.87 60.02 3iol n SER 84 Cb 0.55 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 3iol n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iol n PRO 86 N 2.64 2.33 0.00 0.00 -0.02 -1.26 -4.83 135.00 133.86 3iol n PRO 86 Ca 0.18 0.84 0.06 0.00 -2.02 0.00 0.00 63.50 62.57 3iol n PRO 86 Cb 0.19 -2.65 0.29 0.00 -0.02 0.00 0.00 33.50 31.31 3iol n PRO 86 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3iol n TRP 87 N 4.16 0.00 1.30 6.00 4.27 -1.26 -2.36 117.44 129.55 3iol n TRP 87 Ca 0.18 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.93 3iol n TRP 87 Cb 0.31 -0.44 0.60 0.00 -1.36 0.00 0.00 31.31 30.42 3iol n TRP 87 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 3iol n TYR 88 N -1.44 0.00 -1.78 -2.67 0.18 -1.26 -4.79 117.16 105.40 3iol n TYR 88 Ca 0.04 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.41 3iol n TYR 88 Cb 0.14 -0.26 -0.01 0.00 -0.38 0.00 0.00 39.34 38.83 3iol n TYR 88 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3iol s LEU 89 N -2.64 4.32 0.51 -3.48 1.43 -1.00 -4.79 118.68 113.04 3iol s LEU 89 Ca 0.24 3.04 0.26 0.00 -1.03 0.00 0.00 54.13 56.64 3iol s LEU 89 Cb 0.20 -3.66 1.37 0.00 0.03 0.00 0.00 46.19 44.12 3iol s LEU 89 CO 0.51 -0.90 1.94 -0.65 0.23 0.00 0.00 176.35 177.47 3iol h PRO 90 N 3.61 0.08 -0.39 1.29 0.11 -1.92 -1.84 132.00 132.93 3iol h PRO 90 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iol h PRO 90 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iol h PRO 90 CO 0.69 0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 3iol n TRP 91 N -4.36 1.20 -0.20 0.65 2.14 -1.26 -4.68 117.44 110.93 3iol n TRP 91 Ca 0.14 -0.76 0.24 0.00 2.07 0.00 0.00 57.50 59.19 3iol n TRP 91 Cb 0.74 -0.31 0.63 0.00 -0.81 0.00 0.00 31.31 31.56 3iol n TRP 91 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3iol h ALA 92 N 2.62 2.55 0.00 -1.67 0.00 -1.64 0.12 119.26 121.24 3iol h ALA 92 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iol h ALA 92 Cb 1.47 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3iol h ALA 92 CO 0.25 -0.82 -0.06 0.66 0.00 0.00 0.00 179.25 179.29 3iol h SER 93 N 0.18 0.00 1.47 0.00 4.64 -1.84 -2.03 113.55 115.97 3iol h SER 93 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3iol h SER 93 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3iol h SER 93 CO -0.09 0.06 -0.22 0.28 -0.87 0.00 0.00 176.83 175.99 3iol h SER 94 N 0.00 0.00 -1.36 4.97 0.02 -1.12 -3.37 113.55 112.68 3iol h SER 94 Ca -0.00 -0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 60.38 3iol h SER 94 Cb 0.37 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.49 3iol h SER 94 CO 0.01 0.02 -0.84 1.33 -1.14 0.00 0.00 176.83 176.21 3iol n VAL 95 N -2.54 2.07 0.28 2.27 0.24 -0.77 -4.93 118.33 114.95 3iol n VAL 95 Ca 0.04 -4.48 0.14 0.00 -2.04 0.00 0.00 64.34 58.01 3iol n VAL 95 Cb 0.48 -0.82 0.82 0.00 -1.47 0.00 0.00 33.84 32.85 3iol n VAL 95 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3iol h PRO 96 N 2.65 0.00 -0.06 7.34 0.13 -1.72 -2.39 132.00 137.96 3iol h PRO 96 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3iol h PRO 96 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3iol h PRO 96 CO 0.76 0.07 0.00 1.04 -0.23 0.00 0.00 178.00 179.64 3iol n GLN 97 N -3.63 1.76 -2.14 0.86 1.13 -1.26 -4.96 117.38 109.14 3iol n GLN 97 Ca -0.02 -2.55 -0.32 0.00 -1.94 0.00 0.00 57.00 52.17 3iol n GLN 97 Cb 0.18 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 3iol n GLN 97 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3iol s GLY 98 N -2.53 1.92 0.05 1.08 0.00 -0.90 -4.99 107.32 101.95 3iol s GLY 98 Ca 0.32 0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.17 3iol s GLY 98 CO 0.04 0.40 -0.07 0.30 0.00 0.00 0.00 173.10 173.77 3iol s HIS 99 N -2.80 0.65 0.14 1.90 3.76 -1.26 -1.91 115.29 115.77 3iol s HIS 99 Ca 0.58 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.95 3iol s HIS 99 Cb -0.11 -0.40 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 3iol s HIS 99 CO 0.40 -0.12 0.01 0.54 -0.85 0.00 0.00 174.74 174.72 3iol s VAL 100 N -1.92 3.91 0.02 -0.90 0.11 0.46 -4.35 120.40 117.74 3iol s VAL 100 Ca -0.06 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 57.81 3iol s VAL 100 Cb -0.06 -2.93 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 3iol s VAL 100 CO -0.01 -0.02 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.31 3iol s TYR 101 N -1.55 1.05 0.30 1.54 2.02 -0.47 -1.48 117.35 118.75 3iol s TYR 101 Ca 0.27 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3iol s TYR 101 Cb -0.10 -0.64 -0.06 0.00 -0.40 0.00 0.00 41.96 40.76 3iol s TYR 101 CO 0.19 0.01 -0.05 1.03 -1.57 0.00 0.00 175.55 175.16 3iol s ARG 102 N -0.89 1.61 -0.15 -0.62 0.52 -0.81 -1.04 118.95 117.58 3iol s ARG 102 Ca 0.01 -1.83 0.02 0.00 -0.52 0.00 0.00 55.73 53.41 3iol s ARG 102 Cb -0.07 -1.22 0.01 0.00 0.52 0.00 0.00 34.95 34.19 3iol s ARG 102 CO 0.01 0.03 -0.21 0.12 0.02 0.00 0.00 175.30 175.26 3iol s PHE 103 N -2.97 2.69 -0.38 -0.53 5.36 -1.26 -1.21 117.98 119.67 3iol s PHE 103 Ca 0.31 -1.37 -0.21 0.00 -0.96 0.00 0.00 56.93 54.71 3iol s PHE 103 Cb 0.04 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.90 3iol s PHE 103 CO 0.13 -0.63 0.64 0.00 -1.46 0.00 0.00 175.22 173.90 3iol s THR 105 N 2.76 2.61 -0.19 0.00 -4.23 -0.40 0.54 115.64 116.74 3iol s THR 105 Ca 0.24 0.20 0.28 0.00 -1.18 0.00 0.00 61.69 61.23 3iol s THR 105 Cb -0.14 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.26 3iol s THR 105 CO 0.16 -0.26 1.84 0.00 -0.54 0.00 0.00 174.62 175.82 3iol h ALA 106 N -1.51 1.00 -0.27 3.99 0.00 -1.87 -1.64 119.26 118.96 3iol h ALA 106 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iol h ALA 106 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3iol h ALA 106 CO 0.56 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.20 3iol n GLU 107 N -2.57 1.98 -1.38 0.00 4.71 -1.26 -4.75 120.64 117.36 3iol n GLU 107 Ca 0.01 -1.48 -0.07 0.00 -0.01 0.00 0.00 57.16 55.61 3iol n GLU 107 Cb 0.23 -1.41 -0.02 0.00 -1.01 0.00 0.00 31.44 29.22 3iol n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iol n GLY 108 N 1.24 0.72 3.65 0.62 0.00 -0.63 -4.97 105.19 105.82 3iol n GLY 108 Ca 0.17 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3iol n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iol s LEU 109 N -1.57 3.45 0.29 0.99 2.01 -1.26 -4.13 118.68 118.46 3iol s LEU 109 Ca 0.00 0.06 -0.29 0.00 0.01 0.00 0.00 54.13 53.91 3iol s LEU 109 Cb 0.00 -1.83 -0.10 0.00 0.01 0.00 0.00 46.19 44.27 3iol s LEU 109 CO 0.00 0.35 1.42 0.26 1.01 0.00 0.00 176.35 179.39 3iol s TRP 110 N -0.91 2.95 0.15 0.29 0.52 -1.26 -1.27 118.94 119.41 3iol s TRP 110 Ca 0.14 1.14 -0.34 0.00 0.02 0.00 0.00 56.10 57.06 3iol s TRP 110 Cb -0.11 -3.82 -0.15 0.00 -1.15 0.00 0.00 33.47 28.24 3iol s TRP 110 CO 0.04 -2.55 1.48 -0.11 0.02 0.00 0.00 176.95 175.83 3iol n LEU 111 N 1.65 2.62 -4.80 2.99 7.94 0.54 -4.86 117.00 123.09 3iol n LEU 111 Ca 0.04 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.76 3iol n LEU 111 Cb 0.40 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 3iol n LEU 111 CO 0.61 -0.56 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.99 3iol s GLN 112 N 0.61 2.93 0.16 1.96 -0.21 -1.26 0.15 119.66 123.99 3iol s GLN 112 Ca 0.79 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 3iol s GLN 112 Cb -0.76 -2.71 -0.07 0.00 1.00 0.00 0.00 33.01 30.47 3iol s GLN 112 CO 0.42 0.53 0.97 0.15 -2.12 0.00 0.00 175.29 175.24 3iol s LYS 113 N -2.75 4.74 0.55 2.91 1.02 0.10 -4.61 119.74 121.70 3iol s LYS 113 Ca 0.30 1.49 -0.19 0.00 0.02 0.00 0.00 55.97 57.60 3iol s LYS 113 Cb -0.11 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.77 3iol s LYS 113 CO 0.23 0.30 0.51 -0.25 -0.92 0.00 0.00 175.35 175.22 3iol n ASP 114 N 2.32 -1.09 0.00 2.83 8.00 -1.26 -2.13 116.55 125.22 3iol n ASP 114 Ca 0.01 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.27 3iol n ASP 114 Cb 0.48 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 3iol n ASP 114 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3iol n ASN 115 N 0.67 0.00 -4.17 -2.24 0.23 -1.26 -4.93 115.26 103.55 3iol n ASN 115 Ca 0.11 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.87 3iol n ASN 115 Cb 0.46 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.42 3iol n ASN 115 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3iol s SER 116 N -1.02 0.41 0.00 0.53 1.04 -0.91 -4.94 113.70 108.81 3iol s SER 116 Ca 0.00 1.24 0.26 0.00 0.48 0.00 0.00 55.95 57.93 3iol s SER 116 Cb 0.00 -1.88 0.65 0.00 0.10 0.00 0.00 66.02 64.89 3iol s SER 116 CO 0.00 -4.51 1.50 -0.24 0.98 0.00 0.00 173.24 170.97 3iol n SER 117 N -5.10 1.03 -4.78 7.02 2.88 -1.26 -4.62 113.62 108.79 3iol n SER 117 Ca 0.06 -0.85 -0.37 0.00 -1.33 0.00 0.00 58.87 56.38 3iol n SER 117 Cb 0.56 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.18 3iol n SER 117 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3iol s LEU 118 N -2.57 4.15 0.28 2.46 1.43 -1.26 -4.85 118.68 118.32 3iol s LEU 118 Ca 0.22 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 55.15 3iol s LEU 118 Cb 0.19 -4.15 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 3iol s LEU 118 CO 0.55 -0.55 0.98 -2.16 0.23 0.00 0.00 176.35 175.40 3iol s PRO 119 N -2.45 4.69 0.30 1.29 0.04 -1.26 -0.73 135.00 136.89 3iol s PRO 119 Ca 0.58 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 3iol s PRO 119 Cb -0.24 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 3iol s PRO 119 CO 0.30 0.35 1.57 -0.46 0.04 0.00 0.00 177.00 178.80 3iol s TRP 120 N -1.34 2.74 0.02 0.56 -0.00 0.12 -4.65 118.94 116.38 3iol s TRP 120 Ca 0.46 0.86 -0.07 0.00 -0.00 0.00 0.00 56.10 57.34 3iol s TRP 120 Cb -0.24 -4.05 -0.00 0.00 -0.00 0.00 0.00 33.47 29.18 3iol s TRP 120 CO 0.31 -3.44 0.13 1.03 -0.00 0.00 0.00 176.95 174.98 3iol s ARG 121 N -0.77 0.53 -0.27 5.86 0.52 -1.26 -4.43 118.95 119.13 3iol s ARG 121 Ca 0.61 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 3iol s ARG 121 Cb -0.47 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.25 3iol s ARG 121 CO 0.50 -0.13 -0.03 0.34 0.02 0.00 0.00 175.30 176.00 3iol s ASP 122 N -1.64 4.61 -0.05 0.23 -1.08 -0.21 -4.97 116.67 113.57 3iol s ASP 122 Ca -0.11 -1.09 0.13 0.00 -0.52 0.00 0.00 52.55 50.96 3iol s ASP 122 Cb -0.05 -1.68 0.41 0.00 -1.46 0.00 0.00 42.92 40.14 3iol s ASP 122 CO -0.00 -0.20 1.34 0.18 0.52 0.00 0.00 175.17 177.01 3iol n LEU 123 N 4.64 3.37 0.07 -1.34 4.32 -1.26 -1.37 117.00 125.43 3iol n LEU 123 Ca -0.15 -2.24 0.00 0.00 -0.02 0.00 0.00 56.01 53.60 3iol n LEU 123 Cb 0.45 -0.35 0.31 0.00 -1.62 0.00 0.00 43.42 42.21 3iol n LEU 123 CO 0.26 0.75 0.83 0.77 -1.22 0.00 0.00 177.39 178.78 3iol h SER 124 N 2.34 0.32 0.47 -1.43 4.64 -1.93 -0.62 113.55 117.34 3iol h SER 124 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3iol h SER 124 Cb 0.96 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3iol h SER 124 CO 0.07 0.52 0.00 -0.62 -0.87 0.00 0.00 176.83 175.93 3iol n GLU 125 N -4.20 0.01 -0.10 4.77 1.02 -1.26 -2.88 120.64 118.00 3iol n GLU 125 Ca -0.00 0.26 0.06 0.00 -0.02 0.00 0.00 57.16 57.45 3iol n GLU 125 Cb 0.33 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 3iol n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iol s GLU 127 N -1.00 2.60 0.00 0.00 2.02 -1.14 -5.03 118.70 116.15 3iol s GLU 127 Ca 0.19 1.56 0.12 0.00 0.02 0.00 0.00 54.97 56.86 3iol s GLU 127 Cb 0.11 -1.91 0.73 0.00 0.10 0.00 0.00 34.13 33.17 3iol s GLU 127 CO 0.16 -1.44 1.16 -1.91 0.02 0.00 0.00 175.26 173.26