#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic h ARG 3 N 0.00 0.94 0.00 0.00 2.43 -2.08 -3.41 114.38 112.25 3fic h ARG 3 Ca 0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3fic h ARG 3 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3fic h ARG 3 CO 0.00 1.16 0.00 0.54 -1.51 0.00 0.00 179.97 180.16 3fic n ARG 4 N -4.06 0.00 -1.26 0.20 1.74 -1.26 -4.91 116.66 107.11 3fic n ARG 4 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 3fic n ARG 4 Cb 0.56 -0.15 0.12 0.00 -1.02 0.00 0.00 32.46 31.96 3fic n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fic s ARG 5 N 0.00 1.71 0.12 5.56 3.00 -1.26 -4.95 118.95 123.13 3fic s ARG 5 Ca 0.00 0.93 0.27 0.00 0.00 0.00 0.00 55.73 56.92 3fic s ARG 5 Cb 0.00 -1.85 0.98 0.00 0.00 0.00 0.00 34.95 34.07 3fic s ARG 5 CO 0.00 -1.96 1.82 -2.13 0.00 0.00 0.00 175.30 173.03 3fic n ARG 6 N -3.70 0.15 -1.44 3.54 0.63 -1.26 -4.68 116.66 109.89 3fic n ARG 6 Ca 0.08 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3fic n ARG 6 Cb 0.54 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.77 3fic n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic n ALA 7 N -1.66 -2.35 -2.81 5.13 0.00 -1.26 -5.00 120.51 112.55 3fic n ALA 7 Ca 0.06 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 3fic n ALA 7 Cb 0.37 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 3fic n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fic s GLU 8 N -1.95 3.27 0.17 0.00 2.02 -1.26 -5.07 118.70 115.89 3fic s GLU 8 Ca 0.00 -0.25 -0.32 0.00 0.02 0.00 0.00 54.97 54.42 3fic s GLU 8 Cb 0.00 -3.04 -0.11 0.00 0.10 0.00 0.00 34.13 31.09 3fic s GLU 8 CO 0.00 0.74 1.62 0.08 0.02 0.00 0.00 175.26 177.72 3fic s VAL 9 N -1.00 2.45 0.25 2.63 1.01 -1.26 -4.97 120.40 119.50 3fic s VAL 9 Ca 0.15 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3fic s VAL 9 Cb -0.12 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3fic s VAL 9 CO 0.05 0.02 1.31 -0.60 0.00 0.00 0.00 175.10 175.88 3fic s ARG 10 N 1.22 4.38 0.27 2.72 3.52 -1.26 -5.02 118.95 124.78 3fic s ARG 10 Ca 0.72 2.12 -0.01 0.00 -0.13 0.00 0.00 55.73 58.42 3fic s ARG 10 Cb -0.45 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3fic s ARG 10 CO 0.32 -0.23 0.47 -1.14 -0.81 0.00 0.00 175.30 173.91 3fic s GLN 11 N -0.70 3.53 0.22 5.12 2.00 -1.26 -5.11 119.66 123.46 3fic s GLN 11 Ca 0.54 -0.29 0.10 0.00 -2.00 0.00 0.00 55.36 53.72 3fic s GLN 11 Cb -0.38 -2.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 3fic s GLN 11 CO 0.43 0.28 -0.13 -0.51 -0.50 0.00 0.00 175.29 174.87 3fic s LEU 12 N -3.72 2.83 -0.15 3.68 1.43 -1.26 -5.11 118.68 116.37 3fic s LEU 12 Ca 0.40 -0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 3fic s LEU 12 Cb -0.10 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3fic s LEU 12 CO 0.31 0.07 0.64 -1.58 0.23 0.00 0.00 176.35 176.02 3fic s GLN 13 N -3.12 4.29 0.57 1.70 0.74 -1.26 -4.92 119.66 117.66 3fic s GLN 13 Ca 0.27 0.68 -0.18 0.00 0.05 0.00 0.00 55.36 56.17 3fic s GLN 13 Cb -0.07 -3.53 -0.07 0.00 1.10 0.00 0.00 33.01 30.44 3fic s GLN 13 CO 0.15 -0.11 0.71 -2.30 -0.55 0.00 0.00 175.29 173.18 3fic n PRO 14 N 4.55 0.68 -0.65 1.67 -0.02 -1.26 -4.74 135.00 135.24 3fic n PRO 14 Ca -0.02 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3fic n PRO 14 Cb 0.50 -1.88 0.18 0.00 -0.02 0.00 0.00 33.50 32.29 3fic n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fic n ASP 15 N 0.04 -1.92 -0.02 2.55 4.64 -1.24 -4.70 116.55 115.90 3fic n ASP 15 Ca 0.12 0.01 0.06 0.00 -1.38 0.00 0.00 54.79 53.60 3fic n ASP 15 Cb 0.47 -1.13 -0.13 0.00 -1.04 0.00 0.00 41.12 39.29 3fic n ASP 15 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3fic n LEU 16 N -2.68 0.00 -0.12 -2.67 4.77 -1.26 -3.27 117.00 111.77 3fic n LEU 16 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 3fic n LEU 16 Cb 0.57 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 3fic n LEU 16 CO 0.53 0.07 -1.13 0.52 -1.33 0.00 0.00 177.39 176.05 3fic n VAL 17 N -2.16 1.52 0.60 4.08 0.31 -1.26 -4.67 118.33 116.74 3fic n VAL 17 Ca -0.07 -0.18 0.08 0.00 -0.01 0.00 0.00 64.34 64.16 3fic n VAL 17 Cb 0.53 -2.06 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 3fic n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3fic n TYR 18 N -4.34 0.00 -3.20 3.52 4.02 -1.26 -5.04 117.16 110.85 3fic n TYR 18 Ca -0.39 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.42 3fic n TYR 18 Cb 0.74 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 3fic n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fic n GLY 19 N 1.41 -1.21 3.38 2.72 0.00 -1.20 -4.87 105.19 105.41 3fic n GLY 19 Ca 0.02 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.59 3fic n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fic s ASP 20 N -2.89 -0.55 0.21 1.61 -1.08 -1.26 -4.49 116.67 108.22 3fic s ASP 20 Ca 0.05 1.13 -0.09 0.00 -0.52 0.00 0.00 52.55 53.12 3fic s ASP 20 Cb -0.01 1.36 0.27 0.00 -1.46 0.00 0.00 42.92 43.08 3fic s ASP 20 CO 0.79 -0.22 1.79 -0.37 0.52 0.00 0.00 175.17 177.68 3fic h VAL 21 N 5.84 0.92 0.00 1.11 -1.51 -1.91 0.22 116.25 120.91 3fic h VAL 21 Ca -0.23 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3fic h VAL 21 Cb 1.14 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3fic h VAL 21 CO 0.17 0.11 0.22 0.25 -1.23 0.00 0.00 177.57 177.10 3fic h LEU 22 N 0.63 0.00 0.00 4.19 5.85 -1.96 0.73 115.31 124.74 3fic h LEU 22 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3fic h LEU 22 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3fic h LEU 22 CO -0.21 0.00 -0.17 0.58 -0.34 0.00 0.00 178.44 178.29 3fic h VAL 23 N 0.00 0.00 -0.88 1.05 2.07 -1.00 -3.27 116.25 114.22 3fic h VAL 23 Ca 0.00 -0.69 0.20 0.00 0.82 0.00 0.00 66.70 67.04 3fic h VAL 23 Cb 0.45 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.06 3fic h VAL 23 CO 0.00 0.00 -0.08 0.71 0.02 0.00 0.00 177.57 178.22 3fic h THR 24 N -0.69 0.16 -0.76 2.57 1.35 -0.89 0.42 112.91 115.07 3fic h THR 24 Ca 0.00 -0.01 0.07 0.00 -0.55 0.00 0.00 66.41 65.92 3fic h THR 24 Cb 0.17 0.12 -0.10 0.00 -1.73 0.00 0.00 68.15 66.61 3fic h THR 24 CO 0.00 0.01 -0.53 0.00 -0.25 0.00 0.00 175.52 174.75 3fic h ALA 25 N 1.86 -0.56 0.11 6.62 0.00 -1.04 0.50 119.26 126.76 3fic h ALA 25 Ca 0.47 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.47 3fic h ALA 25 Cb 0.84 1.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 3fic h ALA 25 CO -0.84 -0.91 -0.34 0.35 0.00 0.00 0.00 179.25 177.51 3fic h PHE 26 N -0.10 -0.99 -0.96 0.00 3.57 -0.26 -0.20 116.94 118.01 3fic h PHE 26 Ca 0.12 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.93 3fic h PHE 26 Cb 0.42 0.41 -0.17 0.00 2.79 0.00 0.00 35.95 39.40 3fic h PHE 26 CO -0.94 -0.39 0.15 0.82 -2.23 0.00 0.00 178.31 175.72 3fic h ILE 27 N -0.51 0.08 0.47 1.41 5.03 -0.07 1.00 117.51 124.91 3fic h ILE 27 Ca -0.01 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 3fic h ILE 27 Cb 0.50 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.30 3fic h ILE 27 CO -0.17 0.01 -0.44 0.78 -0.68 0.00 0.00 178.15 177.65 3fic h ASN 28 N 0.05 -1.19 -0.89 1.72 2.35 0.11 0.42 115.58 118.14 3fic h ASN 28 Ca 0.63 0.09 0.26 0.00 -0.55 0.00 0.00 56.30 56.73 3fic h ASN 28 Cb 1.37 0.39 -0.04 0.00 0.05 0.00 0.00 38.32 40.09 3fic h ASN 28 CO -0.84 -0.59 0.66 0.11 -1.65 0.00 0.00 177.43 175.13 3fic h LYS 29 N -0.89 0.00 -0.08 0.81 1.79 0.25 0.97 116.57 119.42 3fic h LYS 29 Ca -0.06 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.23 3fic h LYS 29 Cb 0.77 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 3fic h LYS 29 CO -0.04 0.00 -0.73 0.82 -1.08 0.00 0.00 179.45 178.42 3fic h ILE 30 N 0.00 1.38 -2.63 1.86 1.08 0.21 -3.45 117.51 115.96 3fic h ILE 30 Ca 0.42 -2.14 -0.52 0.00 -0.39 0.00 0.00 64.86 62.23 3fic h ILE 30 Cb 1.75 2.11 0.04 0.00 -3.07 0.00 0.00 36.82 37.65 3fic h ILE 30 CO -0.00 0.64 1.04 -0.32 -0.69 0.00 0.00 178.15 178.82 3fic s MET 31 N -3.62 4.15 -0.28 2.37 1.75 0.34 -4.90 119.30 119.10 3fic s MET 31 Ca -0.06 2.54 0.02 0.00 -1.25 0.00 0.00 55.69 56.94 3fic s MET 31 Cb 0.10 -3.39 0.08 0.00 2.84 0.00 0.00 34.83 34.46 3fic s MET 31 CO 0.84 -0.77 -0.02 0.50 -0.65 0.00 0.00 175.02 174.92 3fic s ARG 32 N 2.07 1.60 0.00 4.11 3.52 -1.26 -4.71 118.95 124.28 3fic s ARG 32 Ca 0.77 -1.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3fic s ARG 32 Cb -0.46 -2.77 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3fic s ARG 32 CO 0.34 -0.75 0.00 -0.25 -0.81 0.00 0.00 175.30 173.83 3fic n ASP 33 N 4.51 -0.65 -3.04 -2.12 8.00 -1.26 -4.53 116.55 117.47 3fic n ASP 33 Ca -0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.34 3fic n ASP 33 Cb 0.43 -0.32 0.01 0.00 -0.02 0.00 0.00 41.12 41.22 3fic n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fic n GLY 34 N -1.02 -1.15 1.58 0.44 0.00 -1.26 -4.98 105.19 98.80 3fic n GLY 34 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3fic n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fic n LYS 35 N -0.91 0.27 0.00 1.61 5.02 -1.26 -5.02 118.16 117.87 3fic n LYS 35 Ca 0.03 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 3fic n LYS 35 Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3fic n LYS 35 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fic n LYS 36 N 0.14 0.00 -0.32 1.97 4.81 -1.26 0.97 118.16 124.47 3fic n LYS 36 Ca -0.04 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.58 3fic n LYS 36 Cb 0.98 0.00 0.36 0.00 0.02 0.00 0.00 35.03 36.39 3fic n LYS 36 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3fic h ASN 37 N 0.00 0.01 0.53 3.14 2.35 -1.99 1.79 115.58 121.40 3fic h ASN 37 Ca 0.00 0.22 -0.20 0.00 -0.55 0.00 0.00 56.30 55.77 3fic h ASN 37 Cb 0.00 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3fic h ASN 37 CO 0.00 -0.24 -0.89 0.25 -1.65 0.00 0.00 177.43 174.90 3fic h LEU 38 N 0.15 0.31 -0.06 1.61 5.85 0.16 -2.32 115.31 121.02 3fic h LEU 38 Ca 0.63 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3fic h LEU 38 Cb 1.38 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3fic h LEU 38 CO -0.73 1.05 -0.02 0.00 -0.34 0.00 0.00 178.44 178.41 3fic h ALA 39 N 0.93 0.08 0.68 1.25 0.00 0.21 -2.89 119.26 119.53 3fic h ALA 39 Ca -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3fic h ALA 39 Cb 1.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.29 3fic h ALA 39 CO 0.14 -0.20 -0.33 0.00 0.00 0.00 0.00 179.25 178.86 3fic h ALA 40 N 0.66 -1.12 -0.11 0.00 0.00 0.16 -2.86 119.26 116.00 3fic h ALA 40 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fic h ALA 40 Cb 0.41 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3fic h ALA 40 CO 0.01 -1.05 -0.07 0.54 0.00 0.00 0.00 179.25 178.68 3fic n ARG 41 N -4.74 -0.05 -0.19 0.00 1.74 -0.87 -0.24 116.66 112.31 3fic n ARG 41 Ca -0.11 0.86 -0.05 0.00 -0.77 0.00 0.00 57.85 57.78 3fic n ARG 41 Cb 0.36 -1.29 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 3fic n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3fic n ILE 42 N -3.11 -0.30 -0.12 0.55 5.41 -1.09 0.22 119.36 120.93 3fic n ILE 42 Ca 0.00 1.53 -0.07 0.00 1.00 0.00 0.00 62.75 65.21 3fic n ILE 42 Cb 0.03 -1.93 -0.05 0.00 -0.71 0.00 0.00 39.64 36.98 3fic n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3fic h PHE 43 N 0.00 -0.97 -0.13 1.39 3.57 -0.36 0.41 116.94 120.85 3fic h PHE 43 Ca 0.07 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3fic h PHE 43 Cb 0.18 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3fic h PHE 43 CO -0.74 -0.25 0.03 1.88 -2.23 0.00 0.00 178.31 176.99 3fic h TYR 44 N -0.16 0.04 -0.85 0.41 -1.99 0.18 0.23 116.97 114.82 3fic h TYR 44 Ca 0.05 0.01 0.25 0.00 2.00 0.00 0.00 58.73 61.04 3fic h TYR 44 Cb 0.30 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 3fic h TYR 44 CO -0.75 0.02 0.61 -0.44 -0.00 0.00 0.00 178.16 177.60 3fic h ASP 45 N 0.08 0.01 -0.51 3.88 3.45 0.35 0.95 116.42 124.64 3fic h ASP 45 Ca 0.06 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.40 3fic h ASP 45 Cb 0.05 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3fic h ASP 45 CO -0.08 0.00 -0.12 0.00 -1.57 0.00 0.00 179.24 177.48 3fic h ALA 46 N 1.57 0.79 -0.09 3.45 0.00 0.19 -2.46 119.26 122.72 3fic h ALA 46 Ca 0.41 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3fic h ALA 46 Cb 1.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3fic h ALA 46 CO -0.01 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.45 3fic n LYS 48 N -3.99 0.14 -0.61 0.00 5.02 0.13 -0.48 118.16 118.37 3fic n LYS 48 Ca -0.02 0.19 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 3fic n LYS 48 Cb 0.51 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.22 3fic n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3fic n ILE 49 N -1.30 2.09 -0.07 -0.18 2.08 0.08 -4.58 119.36 117.48 3fic n ILE 49 Ca 0.05 -3.09 -0.16 0.00 0.56 0.00 0.00 62.75 60.11 3fic n ILE 49 Cb 0.09 -0.18 -0.05 0.00 -0.75 0.00 0.00 39.64 38.74 3fic n ILE 49 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3fic n ILE 50 N -1.06 0.99 -0.35 1.39 2.08 0.36 -4.19 119.36 118.58 3fic n ILE 50 Ca 0.18 -0.15 0.12 0.00 0.56 0.00 0.00 62.75 63.46 3fic n ILE 50 Cb 0.71 -1.78 0.31 0.00 -0.75 0.00 0.00 39.64 38.13 3fic n ILE 50 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3fic h GLN 51 N -0.59 0.76 0.20 0.38 1.08 -1.53 0.68 115.11 116.09 3fic h GLN 51 Ca -0.35 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.79 3fic h GLN 51 Cb 1.24 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3fic h GLN 51 CO -0.21 0.50 -0.10 0.93 -0.95 0.00 0.00 178.83 179.00 3fic h GLU 52 N 0.78 -0.27 0.00 1.46 4.39 -1.81 -3.12 114.58 116.01 3fic h GLU 52 Ca 0.57 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3fic h GLU 52 Cb 0.85 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3fic h GLU 52 CO -0.37 -0.18 0.00 1.63 -1.16 0.00 0.00 179.01 178.93 3fic n LYS 53 N -3.02 0.06 -3.65 2.33 4.76 -1.07 -4.62 118.16 112.94 3fic n LYS 53 Ca -0.03 0.27 -0.01 0.00 -2.87 0.00 0.00 58.31 55.67 3fic n LYS 53 Cb 0.11 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 3fic n LYS 53 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3fic s THR 54 N -2.65 0.00 -0.29 -0.18 -1.32 0.24 -5.01 115.64 106.43 3fic s THR 54 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3fic s THR 54 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 3fic s THR 54 CO 0.07 0.00 0.84 0.61 -2.21 0.00 0.00 174.62 173.94 3fic n GLY 55 N 3.20 1.82 3.91 6.08 0.00 -1.23 -2.86 105.19 116.11 3fic n GLY 55 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3fic n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fic s GLN 56 N -0.27 3.62 -0.18 1.61 -1.52 -1.26 -5.03 119.66 116.62 3fic s GLN 56 Ca 0.00 0.07 -0.29 0.00 -1.95 0.00 0.00 55.36 53.19 3fic s GLN 56 Cb 0.00 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 3fic s GLN 56 CO 0.00 0.08 1.55 -1.21 -0.25 0.00 0.00 175.29 175.46 3fic s GLU 57 N -3.94 3.95 0.18 2.91 2.02 -1.26 -4.57 118.70 117.98 3fic s GLU 57 Ca 0.45 1.74 -0.25 0.00 0.02 0.00 0.00 54.97 56.94 3fic s GLU 57 Cb -0.10 -3.98 0.06 0.00 0.10 0.00 0.00 34.13 30.21 3fic s GLU 57 CO 0.34 -1.10 1.57 -1.00 0.02 0.00 0.00 175.26 175.08 3fic h PRO 58 N 10.02 -0.18 -1.00 0.39 0.13 -1.94 -0.94 132.00 138.49 3fic h PRO 58 Ca -0.33 0.01 0.38 0.00 -0.87 0.00 0.00 66.00 65.19 3fic h PRO 58 Cb 1.15 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 3fic h PRO 58 CO 0.99 -0.12 0.43 1.25 -0.23 0.00 0.00 178.00 180.32 3fic h LEU 59 N -0.18 0.16 -0.49 1.56 5.85 -2.00 -0.02 115.31 120.19 3fic h LEU 59 Ca 0.20 0.26 -0.16 0.00 0.84 0.00 0.00 57.88 59.02 3fic h LEU 59 Cb 0.56 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3fic h LEU 59 CO -0.74 -0.39 -0.75 0.50 -0.34 0.00 0.00 178.44 176.72 3fic h LYS 60 N 0.04 0.02 -0.02 1.25 1.63 -1.56 -1.75 116.57 116.16 3fic h LYS 60 Ca 0.78 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.56 3fic h LYS 60 Cb 1.96 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.60 3fic h LYS 60 CO -0.79 0.76 -0.01 0.28 -3.45 0.00 0.00 179.45 176.24 3fic h VAL 61 N 0.01 1.34 -0.27 2.00 2.07 -0.94 0.10 116.25 120.57 3fic h VAL 61 Ca -0.01 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3fic h VAL 61 Cb 1.33 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 3fic h VAL 61 CO 0.10 0.28 0.03 0.15 0.02 0.00 0.00 177.57 178.15 3fic h PHE 62 N -0.37 0.04 -0.68 1.57 3.57 -1.53 0.54 116.94 120.08 3fic h PHE 62 Ca 0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3fic h PHE 62 Cb 0.45 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3fic h PHE 62 CO 0.07 -0.01 0.38 -0.22 -2.23 0.00 0.00 178.31 176.30 3fic h LYS 63 N 0.12 0.66 0.27 1.11 1.63 -1.24 -1.73 116.57 117.40 3fic h LYS 63 Ca 0.13 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3fic h LYS 63 Cb 0.15 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3fic h LYS 63 CO -0.19 0.44 -0.13 0.37 -3.45 0.00 0.00 179.45 176.49 3fic h GLN 64 N 0.68 -0.35 -0.99 1.90 5.75 -0.27 -2.63 115.11 119.20 3fic h GLN 64 Ca 0.31 0.02 0.22 0.00 -0.15 0.00 0.00 58.65 59.06 3fic h GLN 64 Cb 0.22 0.08 -0.19 0.00 1.07 0.00 0.00 27.48 28.66 3fic h GLN 64 CO -0.20 0.00 -0.15 0.00 -2.65 0.00 0.00 178.83 175.83 3fic n ALA 65 N -2.52 0.33 0.16 3.38 0.00 0.18 -0.27 120.51 121.77 3fic n ALA 65 Ca -0.09 1.08 -0.10 0.00 0.00 0.00 0.00 53.44 54.33 3fic n ALA 65 Cb 0.26 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 3fic n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fic h VAL 66 N 0.00 0.00 -0.93 0.00 2.07 -1.26 -2.63 116.25 113.51 3fic h VAL 66 Ca 0.52 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.29 3fic h VAL 66 Cb 0.90 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.53 3fic h VAL 66 CO -0.99 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 176.95 3fic h GLU 67 N -0.54 0.35 0.00 1.57 4.57 -0.39 0.39 114.58 120.53 3fic h GLU 67 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3fic h GLU 67 Cb 0.46 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3fic h GLU 67 CO -0.02 0.23 0.00 0.09 -1.18 0.00 0.00 179.01 178.13 3fic n ASN 68 N -5.07 0.00 0.00 1.04 3.02 0.63 -3.09 115.26 111.79 3fic n ASN 68 Ca 0.25 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3fic n ASN 68 Cb 0.75 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 3fic n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3fic n VAL 69 N -0.92 0.00 -1.49 2.41 0.31 0.13 -4.66 118.33 114.11 3fic n VAL 69 Ca 0.06 -0.01 -0.47 0.00 -0.01 0.00 0.00 64.34 63.90 3fic n VAL 69 Cb 0.03 0.28 -0.06 0.00 -0.91 0.00 0.00 33.84 33.18 3fic n VAL 69 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3fic n LYS 70 N -0.70 1.18 -1.99 5.55 5.02 -0.93 -4.60 118.16 121.68 3fic n LYS 70 Ca 0.00 0.29 -0.43 0.00 -2.02 0.00 0.00 58.31 56.15 3fic n LYS 70 Cb 0.00 -2.66 -0.03 0.00 -0.02 0.00 0.00 35.03 32.32 3fic n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fic s PRO 71 N 6.63 3.65 0.54 1.97 0.04 -1.26 -4.88 135.00 141.69 3fic s PRO 71 Ca 1.08 1.75 0.25 0.00 0.04 0.00 0.00 61.00 64.12 3fic s PRO 71 Cb -0.71 -4.12 1.42 0.00 0.04 0.00 0.00 34.50 31.13 3fic s PRO 71 CO 0.44 -1.47 2.01 -0.09 0.04 0.00 0.00 177.00 177.93 3fic h ARG 72 N 11.67 0.00 -1.83 4.56 9.65 -1.94 -3.44 114.38 133.06 3fic h ARG 72 Ca -0.36 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3fic h ARG 72 Cb 1.17 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.54 3fic h ARG 72 CO 1.00 0.00 0.31 -1.64 2.80 0.00 0.00 179.97 182.43 3fic s MET 73 N -4.95 0.81 0.22 0.20 -1.94 -1.26 -4.02 119.30 108.36 3fic s MET 73 Ca -0.05 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 3fic s MET 73 Cb 0.19 0.39 -0.05 0.00 2.01 0.00 0.00 34.83 37.37 3fic s MET 73 CO 0.70 -0.20 0.10 -1.83 -0.01 0.00 0.00 175.02 173.77 3fic s GLU 74 N -0.61 1.27 -0.13 2.03 -1.05 -1.22 -4.21 118.70 114.80 3fic s GLU 74 Ca -0.04 -1.67 -0.02 0.00 -0.15 0.00 0.00 54.97 53.08 3fic s GLU 74 Cb -0.02 -0.02 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 3fic s GLU 74 CO 0.03 -0.32 -0.04 0.14 0.95 0.00 0.00 175.26 176.02 3fic s VAL 75 N -3.93 3.87 -0.10 1.83 -7.23 -1.26 -1.82 120.40 111.76 3fic s VAL 75 Ca 0.36 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.19 3fic s VAL 75 Cb 0.07 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.36 3fic s VAL 75 CO 0.12 0.53 -0.23 -0.13 -0.31 0.00 0.00 175.10 175.08 3fic s ARG 76 N -0.05 2.90 1.01 4.82 0.52 -0.01 -4.95 118.95 123.19 3fic s ARG 76 Ca 0.01 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.25 3fic s ARG 76 Cb -0.13 -2.21 0.15 0.00 0.52 0.00 0.00 34.95 33.28 3fic s ARG 76 CO 0.03 0.16 0.22 0.45 0.02 0.00 0.00 175.30 176.17 3fic n SER 77 N 3.58 -2.93 -3.65 0.23 2.88 -1.26 -2.44 113.62 110.03 3fic n SER 77 Ca -0.19 -0.34 -0.02 0.00 -1.33 0.00 0.00 58.87 56.99 3fic n SER 77 Cb 0.53 -0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 3fic n SER 77 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3fic s ARG 78 N -3.40 0.02 0.11 -1.46 6.06 -1.11 -4.62 118.95 114.54 3fic s ARG 78 Ca 0.38 0.01 0.05 0.00 -2.50 0.00 0.00 55.73 53.67 3fic s ARG 78 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 34.95 34.92 3fic s ARG 78 CO 0.38 -0.00 -0.00 0.50 -2.50 0.00 0.00 175.30 173.67 3fic s ARG 79 N -0.72 2.51 0.22 5.12 3.00 -1.26 -2.84 118.95 124.98 3fic s ARG 79 Ca 0.09 -0.90 0.00 0.00 -1.00 0.00 0.00 55.73 53.92 3fic s ARG 79 Cb -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 34.95 32.43 3fic s ARG 79 CO -0.11 0.52 0.00 0.28 0.00 0.00 0.00 175.30 175.99 3fic n VAL 80 N 0.41 0.00 0.00 7.11 0.31 -1.25 -4.97 118.33 119.95 3fic n VAL 80 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3fic n VAL 80 Cb 0.53 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3fic n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fic n GLY 81 N 0.73 3.01 1.86 2.92 0.00 -1.26 -4.99 105.19 107.46 3fic n GLY 81 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fic n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLY 82 N 0.00 2.20 3.78 -0.02 0.00 -1.26 -4.89 105.19 105.01 3fic n GLY 82 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 3fic n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic s ALA 83 N -0.65 -1.62 -0.21 4.61 0.00 -1.26 -5.15 121.76 117.47 3fic s ALA 83 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3fic s ALA 83 Cb 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3fic s ALA 83 CO 0.00 -1.05 -0.05 -0.80 0.00 0.00 0.00 175.76 173.87 3fic s ASN 84 N -3.06 4.30 0.13 0.00 0.02 -1.26 -3.88 114.94 111.18 3fic s ASN 84 Ca 0.15 -0.38 -0.18 0.00 -1.02 0.00 0.00 52.86 51.43 3fic s ASN 84 Cb -0.02 -1.73 -0.07 0.00 0.02 0.00 0.00 41.25 39.45 3fic s ASN 84 CO 0.03 -0.01 0.60 -0.31 0.02 0.00 0.00 177.10 177.43 3fic s TYR 85 N 1.40 3.71 -0.52 2.20 4.12 -1.13 -4.90 117.35 122.24 3fic s TYR 85 Ca 0.05 1.23 -0.17 0.00 0.02 0.00 0.00 57.07 58.20 3fic s TYR 85 Cb -0.14 -2.48 0.09 0.00 -1.52 0.00 0.00 41.96 37.91 3fic s TYR 85 CO -0.03 0.49 0.52 -0.65 0.02 0.00 0.00 175.55 175.90 3fic s GLN 86 N -1.56 3.02 0.22 -0.62 -0.21 -1.26 -2.75 119.66 116.49 3fic s GLN 86 Ca 0.35 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.05 3fic s GLN 86 Cb -0.18 -4.20 -0.08 0.00 1.00 0.00 0.00 33.01 29.55 3fic s GLN 86 CO 0.20 -1.24 0.99 0.08 -2.12 0.00 0.00 175.29 173.19 3fic s VAL 87 N 1.97 4.03 -0.15 1.09 1.01 -1.02 -4.81 120.40 122.52 3fic s VAL 87 Ca 0.07 1.94 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 3fic s VAL 87 Cb -0.25 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 3fic s VAL 87 CO 0.06 0.42 0.14 -2.16 0.00 0.00 0.00 175.10 173.56 3fic s PRO 88 N -0.92 3.70 0.17 2.72 0.04 -1.26 -0.83 135.00 138.61 3fic s PRO 88 Ca 0.44 -0.16 -0.20 0.00 0.04 0.00 0.00 61.00 61.12 3fic s PRO 88 Cb -0.27 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.05 3fic s PRO 88 CO 0.33 0.61 0.53 0.00 0.04 0.00 0.00 177.00 178.52 3fic s MET 89 N -0.55 1.28 1.05 4.56 0.23 -0.76 -4.86 119.30 120.26 3fic s MET 89 Ca 0.13 -0.67 -0.23 0.00 -1.03 0.00 0.00 55.69 53.89 3fic s MET 89 Cb -0.12 0.54 -0.06 0.00 -1.53 0.00 0.00 34.83 33.66 3fic s MET 89 CO 0.02 -0.54 -0.84 0.39 -2.03 0.00 0.00 175.02 172.01 3fic n GLU 90 N -0.33 -0.71 -3.55 3.16 1.02 -1.26 -3.38 120.64 115.58 3fic n GLU 90 Ca -0.14 -0.20 -0.15 0.00 -0.02 0.00 0.00 57.16 56.65 3fic n GLU 90 Cb 0.64 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.62 3fic n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fic s VAL 91 N -2.11 -0.39 0.36 2.62 1.01 -1.26 -4.73 120.40 115.91 3fic s VAL 91 Ca 0.45 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.23 3fic s VAL 91 Cb -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 3fic s VAL 91 CO 0.67 -0.05 1.29 -0.55 0.00 0.00 0.00 175.10 176.45 3fic s SER 92 N 2.39 6.60 0.33 3.32 0.15 -1.26 -4.72 113.70 120.51 3fic s SER 92 Ca 0.05 2.64 0.10 0.00 0.70 0.00 0.00 55.95 59.44 3fic s SER 92 Cb -0.14 -2.64 0.99 0.00 -1.71 0.00 0.00 66.02 62.52 3fic s SER 92 CO -0.11 -0.65 1.60 1.55 1.20 0.00 0.00 173.24 176.83 3fic h PRO 93 N 3.07 0.08 -0.85 5.44 0.13 -1.98 0.21 132.00 138.11 3fic h PRO 93 Ca -0.49 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 3fic h PRO 93 Cb 1.23 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 3fic h PRO 93 CO 0.64 0.05 -0.50 0.54 -0.23 0.00 0.00 178.00 178.51 3fic n ARG 94 N -5.31 -0.37 -0.00 0.86 1.74 -1.26 0.15 116.66 112.46 3fic n ARG 94 Ca 0.29 1.41 -0.08 0.00 -0.77 0.00 0.00 57.85 58.70 3fic n ARG 94 Cb 0.95 -2.08 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 3fic n ARG 94 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3fic h ARG 95 N 0.00 0.56 0.26 5.56 2.43 -1.00 -2.52 114.38 119.67 3fic h ARG 95 Ca 0.14 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3fic h ARG 95 Cb 0.35 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3fic h ARG 95 CO -0.79 0.91 -0.42 1.96 -1.51 0.00 0.00 179.97 180.12 3fic h GLN 96 N 0.45 -0.69 -0.51 0.20 4.20 0.11 0.41 115.11 119.27 3fic h GLN 96 Ca 0.03 0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.89 3fic h GLN 96 Cb 0.99 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.83 3fic h GLN 96 CO 0.09 -0.46 -0.19 0.37 -0.67 0.00 0.00 178.83 177.97 3fic h GLN 97 N -0.72 -0.07 -0.08 1.46 4.15 0.13 0.21 115.11 120.20 3fic h GLN 97 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.41 3fic h GLN 97 Cb 0.67 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3fic h GLN 97 CO -0.14 -0.05 -0.37 0.77 -1.93 0.00 0.00 178.83 177.12 3fic h SER 98 N -0.07 -1.15 -0.00 -0.69 0.02 -0.93 0.28 113.55 110.99 3fic h SER 98 Ca 0.24 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3fic h SER 98 Cb 0.44 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3fic h SER 98 CO -0.56 -0.33 -0.01 -0.07 -1.14 0.00 0.00 176.83 174.72 3fic h LEU 99 N -0.40 -0.03 0.00 5.07 3.38 0.96 0.83 115.31 125.12 3fic h LEU 99 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fic h LEU 99 Cb 0.46 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3fic h LEU 99 CO -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.24 3fic n ALA 100 N -2.61 0.00 -0.35 1.53 0.00 0.64 0.11 120.51 119.83 3fic n ALA 100 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3fic n ALA 100 Cb 0.01 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3fic n ALA 100 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fic n LEU 101 N -2.11 -0.67 0.01 0.00 4.77 0.07 -1.41 117.00 117.66 3fic n LEU 101 Ca 0.00 1.55 -0.02 0.00 -0.03 0.00 0.00 56.01 57.51 3fic n LEU 101 Cb 0.00 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3fic n LEU 101 CO 0.00 -1.36 0.50 -0.09 -1.33 0.00 0.00 177.39 175.11 3fic h ARG 102 N 0.00 -0.09 -0.94 3.23 2.43 0.22 -1.71 114.38 117.52 3fic h ARG 102 Ca 0.26 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.74 3fic h ARG 102 Cb 0.48 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 29.88 3fic h ARG 102 CO -0.87 -0.06 0.17 0.91 -1.51 0.00 0.00 179.97 178.61 3fic n TRP 103 N -2.89 0.75 0.07 2.20 8.01 0.18 -0.56 117.44 125.20 3fic n TRP 103 Ca -0.01 1.13 -0.13 0.00 -1.31 0.00 0.00 57.50 57.18 3fic n TRP 103 Cb 0.05 -1.30 -0.08 0.00 -2.01 0.00 0.00 31.31 27.97 3fic n TRP 103 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 3fic h LEU 104 N 0.00 -1.33 0.07 -0.99 -0.00 -0.31 0.32 115.31 113.06 3fic h LEU 104 Ca 0.64 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 58.69 3fic h LEU 104 Cb 1.46 0.50 -0.05 0.00 -0.00 0.00 0.00 40.66 42.57 3fic h LEU 104 CO -0.84 -0.44 -0.38 0.58 -0.00 0.00 0.00 178.44 177.36 3fic h VAL 105 N -0.59 0.21 0.04 1.22 2.07 -0.48 0.78 116.25 119.51 3fic h VAL 105 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3fic h VAL 105 Cb 0.61 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3fic h VAL 105 CO -0.26 0.00 -0.54 1.56 0.02 0.00 0.00 177.57 178.35 3fic h GLN 106 N -0.58 -0.68 -0.69 1.57 4.20 -1.20 -1.25 115.11 116.48 3fic h GLN 106 Ca 0.04 0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.91 3fic h GLN 106 Cb 0.63 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.44 3fic h GLN 106 CO -0.26 -0.45 -0.37 0.00 -0.67 0.00 0.00 178.83 177.08 3fic h ALA 107 N -0.47 -0.05 -0.06 3.87 0.00 -0.12 -0.64 119.26 121.80 3fic h ALA 107 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fic h ALA 107 Cb 0.74 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3fic h ALA 107 CO -0.34 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.22 3fic n ALA 108 N -3.23 -0.11 0.27 0.00 0.00 0.25 -0.19 120.51 117.50 3fic n ALA 108 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 3fic n ALA 108 Cb 0.36 0.39 0.66 0.00 0.00 0.00 0.00 19.45 20.86 3fic n ALA 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3fic h ASN 109 N 0.00 0.00 1.55 0.00 2.35 -0.37 1.31 115.58 120.42 3fic h ASN 109 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3fic h ASN 109 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3fic h ASN 109 CO 0.00 0.00 -0.18 1.56 -1.65 0.00 0.00 177.43 177.16 3fic h GLN 110 N 0.00 0.00 -7.27 0.81 4.20 0.93 -3.46 115.11 110.32 3fic h GLN 110 Ca 0.05 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.25 3fic h GLN 110 Cb 1.05 0.00 0.19 0.00 0.30 0.00 0.00 27.48 29.02 3fic h GLN 110 CO -0.00 0.18 0.22 1.03 -0.67 0.00 0.00 178.83 179.58 3fic s ARG 111 N -3.28 0.99 0.00 1.46 0.52 0.45 -4.95 118.95 114.14 3fic s ARG 111 Ca 0.04 1.44 0.21 0.00 -0.52 0.00 0.00 55.73 56.90 3fic s ARG 111 Cb 0.07 -1.73 0.69 0.00 0.52 0.00 0.00 34.95 34.50 3fic s ARG 111 CO 0.67 -2.61 1.52 -0.35 0.02 0.00 0.00 175.30 174.55 3fic n PRO 112 N -4.21 1.85 -1.94 3.54 -0.04 -1.26 -4.93 135.00 128.01 3fic n PRO 112 Ca 0.11 -1.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.87 3fic n PRO 112 Cb 0.52 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 3fic n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fic s GLU 113 N -1.75 4.20 0.18 0.54 0.41 -1.26 -4.92 118.70 116.10 3fic s GLU 113 Ca 0.33 2.32 -0.13 0.00 -0.41 0.00 0.00 54.97 57.09 3fic s GLU 113 Cb 0.18 -3.53 0.15 0.00 -1.78 0.00 0.00 34.13 29.15 3fic s GLU 113 CO 0.27 -0.71 1.78 0.00 -0.49 0.00 0.00 175.26 176.11 3fic h ARG 114 N 8.08 0.48 -7.32 1.61 2.47 -2.01 -3.43 114.38 114.25 3fic h ARG 114 Ca -0.42 -0.03 -0.48 0.00 -1.26 0.00 0.00 59.98 57.78 3fic h ARG 114 Cb 1.20 -0.11 0.07 0.00 -1.65 0.00 0.00 29.97 29.48 3fic h ARG 114 CO 0.93 0.31 0.31 1.03 0.56 0.00 0.00 179.97 183.11 3fic s ARG 115 N -6.13 2.87 -0.08 0.04 0.52 -1.26 -5.01 118.95 109.91 3fic s ARG 115 Ca -0.13 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.28 3fic s ARG 115 Cb 0.14 -2.13 -0.27 0.00 0.52 0.00 0.00 34.95 33.21 3fic s ARG 115 CO 0.74 -0.89 0.54 0.00 0.02 0.00 0.00 175.30 175.70 3fic h ALA 116 N -0.45 0.38 0.03 2.13 0.00 -2.00 -3.27 119.26 116.07 3fic h ALA 116 Ca -0.45 -1.30 0.02 0.00 0.00 0.00 0.00 54.91 53.18 3fic h ALA 116 Cb 1.26 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3fic h ALA 116 CO 0.62 1.25 -0.20 0.00 0.00 0.00 0.00 179.25 180.93 3fic h ALA 117 N 0.24 -0.27 -0.46 0.00 0.00 -1.95 -1.91 119.26 114.91 3fic h ALA 117 Ca -0.36 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3fic h ALA 117 Cb 2.05 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 20.10 3fic h ALA 117 CO 0.12 -0.70 -0.02 -0.39 0.00 0.00 0.00 179.25 178.26 3fic h VAL 118 N -0.33 0.62 0.37 0.00 -1.51 -1.93 0.51 116.25 113.98 3fic h VAL 118 Ca 0.05 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 65.48 3fic h VAL 118 Cb 0.39 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 3fic h VAL 118 CO -0.16 0.02 -0.35 0.03 -1.23 0.00 0.00 177.57 175.88 3fic h ARG 119 N 0.09 -0.68 -0.83 5.19 3.08 -1.49 0.97 114.38 120.71 3fic h ARG 119 Ca 0.23 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.49 3fic h ARG 119 Cb 0.34 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 3fic h ARG 119 CO -0.40 -0.46 0.37 0.82 -1.07 0.00 0.00 179.97 179.23 3fic h ILE 120 N -0.71 0.62 0.00 2.04 1.08 -1.19 0.22 117.51 119.57 3fic h ILE 120 Ca -0.05 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3fic h ILE 120 Cb 0.61 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3fic h ILE 120 CO -0.03 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 3fic n ALA 121 N -2.49 0.00 -0.38 1.87 0.00 0.18 -0.21 120.51 119.48 3fic n ALA 121 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 3fic n ALA 121 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 3fic n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fic n HIS 122 N -0.15 -0.14 -0.32 0.00 8.25 0.33 0.13 115.22 123.32 3fic n HIS 122 Ca 0.00 1.19 0.11 0.00 -0.26 0.00 0.00 57.72 58.76 3fic n HIS 122 Cb 0.00 -0.75 0.24 0.00 1.12 0.00 0.00 29.99 30.60 3fic n HIS 122 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3fic h GLU 123 N 0.00 0.05 -0.11 -0.41 4.57 -0.56 0.88 114.58 119.00 3fic h GLU 123 Ca 0.27 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 3fic h GLU 123 Cb 0.51 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3fic h GLU 123 CO -0.93 0.03 -0.03 -0.07 -1.18 0.00 0.00 179.01 176.83 3fic h LEU 124 N 0.05 -0.11 0.19 1.64 3.38 0.43 -1.94 115.31 118.95 3fic h LEU 124 Ca 0.53 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.55 3fic h LEU 124 Cb 1.04 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3fic h LEU 124 CO -0.84 -0.04 -0.53 0.24 0.09 0.00 0.00 178.44 177.36 3fic h MET 125 N -0.01 -0.77 -0.18 1.13 2.86 0.14 0.26 114.93 118.35 3fic h MET 125 Ca 0.05 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3fic h MET 125 Cb 0.08 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 3fic h MET 125 CO -0.11 -0.51 -0.48 -0.44 1.06 0.00 0.00 176.91 176.42 3fic h ASP 126 N -0.80 -1.52 -0.10 1.22 3.45 -1.15 0.95 116.42 118.47 3fic h ASP 126 Ca -0.02 0.20 0.02 0.00 0.43 0.00 0.00 57.03 57.66 3fic h ASP 126 Cb 0.78 0.61 -0.05 0.00 -0.56 0.00 0.00 39.33 40.12 3fic h ASP 126 CO -0.25 -0.44 -0.43 0.00 -1.57 0.00 0.00 179.24 176.55 3fic h ALA 127 N -0.01 -0.80 -0.91 3.45 0.00 -1.17 1.29 119.26 121.11 3fic h ALA 127 Ca 0.07 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.15 3fic h ALA 127 Cb 0.64 0.91 -0.17 0.00 0.00 0.00 0.00 17.79 19.18 3fic h ALA 127 CO -0.45 -0.96 -0.04 0.00 0.00 0.00 0.00 179.25 177.80 3fic h ALA 128 N -0.56 0.92 0.37 0.00 0.00 0.43 -0.40 119.26 120.03 3fic h ALA 128 Ca 0.02 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3fic h ALA 128 Cb 0.54 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fic h ALA 128 CO -0.34 -0.48 -0.18 1.49 0.00 0.00 0.00 179.25 179.74 3fic h GLU 129 N 0.04 -0.48 0.00 0.00 4.81 0.37 -3.40 114.58 115.92 3fic h GLU 129 Ca 0.51 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3fic h GLU 129 Cb 0.95 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3fic h GLU 129 CO -0.86 -0.32 0.00 0.41 -0.73 0.00 0.00 179.01 177.51 3fic n GLY 130 N -0.99 -0.00 2.31 1.92 0.00 0.42 -5.07 105.19 103.77 3fic n GLY 130 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3fic n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fic n LYS 131 N 0.00 0.46 -3.68 1.61 2.85 -1.00 -5.00 118.16 113.39 3fic n LYS 131 Ca 0.00 -0.72 -0.21 0.00 -1.05 0.00 0.00 58.31 56.33 3fic n LYS 131 Cb 0.00 0.07 -0.04 0.00 -0.65 0.00 0.00 35.03 34.41 3fic n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3fic s GLY 132 N -0.42 2.11 0.39 2.58 0.00 -1.26 -4.77 107.32 105.95 3fic s GLY 132 Ca 0.06 -1.89 0.18 0.00 0.00 0.00 0.00 44.72 43.07 3fic s GLY 132 CO -0.04 -1.71 1.76 -1.33 0.00 0.00 0.00 173.10 171.77 3fic h GLY 133 N 1.12 1.32 0.74 0.20 0.00 -1.93 0.35 103.07 104.86 3fic h GLY 133 Ca -0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3fic h GLY 133 CO 0.59 -0.17 -0.35 0.00 0.00 0.00 0.00 176.54 176.61 3fic h ALA 134 N 1.64 -0.98 -0.84 3.60 0.00 -1.93 0.22 119.26 120.97 3fic h ALA 134 Ca 0.61 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.50 3fic h ALA 134 Cb 1.53 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 3fic h ALA 134 CO -0.33 -0.91 -0.13 0.28 0.00 0.00 0.00 179.25 178.16 3fic n VAL 135 N -5.42 -0.35 0.28 0.00 0.31 0.98 0.87 118.33 114.99 3fic n VAL 135 Ca -0.12 1.90 -0.15 0.00 -0.01 0.00 0.00 64.34 65.95 3fic n VAL 135 Cb 0.39 -2.68 -0.08 0.00 -0.91 0.00 0.00 33.84 30.56 3fic n VAL 135 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3fic h LYS 136 N 0.00 -0.69 0.00 5.55 1.79 -0.61 0.30 116.57 122.91 3fic h LYS 136 Ca 0.44 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 3fic h LYS 136 Cb 0.76 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3fic h LYS 136 CO -0.84 -0.39 0.18 0.87 -1.08 0.00 0.00 179.45 178.18 3fic h LYS 137 N -0.91 0.00 0.00 3.15 1.79 0.34 0.89 116.57 121.84 3fic h LYS 137 Ca -0.07 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3fic h LYS 137 Cb 0.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 3fic h LYS 137 CO 0.12 0.00 -0.53 -0.22 -1.08 0.00 0.00 179.45 177.74 3fic h LYS 138 N 0.00 0.00 -0.70 3.15 3.64 0.97 -3.26 116.57 120.37 3fic h LYS 138 Ca 0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 3fic h LYS 138 Cb 0.36 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.06 3fic h LYS 138 CO 0.00 0.35 0.09 0.93 -2.27 0.00 0.00 179.45 178.55 3fic h GLU 139 N -1.00 0.19 0.20 1.90 5.08 0.23 0.34 114.58 121.52 3fic h GLU 139 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3fic h GLU 139 Cb 0.65 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3fic h GLU 139 CO -0.05 0.12 -0.45 0.22 -1.00 0.00 0.00 179.01 177.86 3fic h ASP 140 N 0.19 -1.31 -0.90 1.42 3.58 0.51 0.22 116.42 120.14 3fic h ASP 140 Ca 0.39 0.13 0.25 0.00 0.42 0.00 0.00 57.03 58.21 3fic h ASP 140 Cb 0.65 0.47 -0.14 0.00 1.72 0.00 0.00 39.33 42.03 3fic h ASP 140 CO -0.54 -0.50 0.26 0.58 -2.88 0.00 0.00 179.24 176.16 3fic h VAL 141 N -0.71 0.30 0.59 2.25 2.07 -1.23 0.16 116.25 119.69 3fic h VAL 141 Ca -0.02 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3fic h VAL 141 Cb 0.68 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3fic h VAL 141 CO -0.19 0.04 -0.46 -0.33 0.02 0.00 0.00 177.57 176.65 3fic h GLU 142 N 0.21 -0.98 -0.68 1.57 5.08 0.11 -2.80 114.58 117.09 3fic h GLU 142 Ca 0.58 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 59.10 3fic h GLU 142 Cb 1.19 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.55 3fic h GLU 142 CO -0.66 -0.66 -0.45 0.00 -1.00 0.00 0.00 179.01 176.24 3fic h ARG 143 N -1.02 -0.17 -1.00 2.33 3.08 0.22 -0.20 114.38 117.62 3fic h ARG 143 Ca -0.07 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.16 3fic h ARG 143 Cb 0.86 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 30.78 3fic h ARG 143 CO 0.01 -0.11 -0.35 0.52 -1.07 0.00 0.00 179.97 178.96 3fic h MET 144 N -0.18 -0.00 0.00 0.04 2.86 -1.00 -3.28 114.93 113.37 3fic h MET 144 Ca 0.19 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.56 3fic h MET 144 Cb 0.55 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.35 3fic h MET 144 CO -0.75 -0.00 0.05 0.00 1.06 0.00 0.00 176.91 177.27 3fic n ALA 145 N -3.51 -2.55 0.00 6.32 0.00 -0.09 -3.43 120.51 117.26 3fic n ALA 145 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3fic n ALA 145 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3fic n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fic n GLU 146 N -3.93 0.00 0.07 0.00 -0.58 -1.26 -3.98 120.64 110.96 3fic n GLU 146 Ca 0.10 0.00 0.19 0.00 -0.42 0.00 0.00 57.16 57.03 3fic n GLU 146 Cb 0.41 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 32.00 3fic n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fic h ALA 147 N 0.00 2.26 -0.68 0.62 0.00 -1.63 0.65 119.26 120.48 3fic h ALA 147 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3fic h ALA 147 Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.71 3fic h ALA 147 CO 0.00 -0.54 0.21 0.09 0.00 0.00 0.00 179.25 179.01 3fic n ASN 148 N -4.16 4.80 0.05 0.00 5.03 -1.22 -4.56 115.26 115.20 3fic n ASN 148 Ca 0.07 -3.21 0.18 0.00 0.87 0.00 0.00 54.58 52.49 3fic n ASN 148 Cb 0.52 -0.72 0.69 0.00 -1.02 0.00 0.00 39.78 39.24 3fic n ASN 148 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3fic h ARG 149 N 2.70 0.00 -0.08 3.52 2.43 0.01 -2.70 114.38 120.26 3fic h ARG 149 Ca 0.22 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3fic h ARG 149 Cb 2.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.76 3fic h ARG 149 CO 0.67 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 179.00 3fic h ALA 150 N 1.77 -0.43 0.00 2.80 0.00 -1.81 0.13 119.26 121.72 3fic h ALA 150 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3fic h ALA 150 Cb 0.84 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3fic h ALA 150 CO -0.00 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 179.41 3fic n TYR 151 N -3.31 0.00 0.03 0.00 0.53 -1.03 -3.57 117.16 109.81 3fic n TYR 151 Ca -0.01 0.00 0.22 0.00 -1.02 0.00 0.00 57.90 57.09 3fic n TYR 151 Cb 0.08 -0.30 0.72 0.00 -1.03 0.00 0.00 39.34 38.81 3fic n TYR 151 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3fic h ALA 152 N 2.28 2.29 0.00 -0.72 0.00 -0.61 -2.82 119.26 119.68 3fic h ALA 152 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fic h ALA 152 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fic h ALA 152 CO 0.00 -0.78 0.00 -2.39 0.00 0.00 0.00 179.25 176.08 3fic n HIS 153 N -3.80 0.00 -1.59 0.00 1.44 -1.23 -2.55 115.22 107.49 3fic n HIS 153 Ca 0.10 -0.44 0.05 0.00 -2.01 0.00 0.00 57.72 55.42 3fic n HIS 153 Cb 0.72 -0.29 0.08 0.00 0.12 0.00 0.00 29.99 30.62 3fic n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3fic n TYR 154 N 1.21 0.00 -0.22 -1.40 0.53 -1.07 -4.92 117.16 111.29 3fic n TYR 154 Ca 0.00 -0.60 0.19 0.00 -1.02 0.00 0.00 57.90 56.47 3fic n TYR 154 Cb 0.29 -0.12 0.33 0.00 -1.03 0.00 0.00 39.34 38.81 3fic n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3fic n ARG 155 N -0.70 -0.02 0.00 -0.72 1.74 -1.06 -5.02 116.66 110.89 3fic n ARG 155 Ca 0.09 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 3fic n ARG 155 Cb 0.70 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3fic n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44