#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkm s THR 2 N 0.00 5.38 -0.03 1.12 2.01 -0.05 -4.85 115.64 119.22 3kkm s THR 2 Ca 0.00 0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.25 3kkm s THR 2 Cb 0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3kkm s THR 2 CO 0.00 0.49 0.26 -1.61 -0.69 0.00 0.00 174.62 173.06 3kkm s GLU 3 N -0.09 3.61 -0.07 4.92 2.02 -1.26 -0.37 118.70 127.45 3kkm s GLU 3 Ca 0.13 0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.15 3kkm s GLU 3 Cb -0.12 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.98 3kkm s GLU 3 CO 0.02 0.70 -0.11 0.71 0.02 0.00 0.00 175.26 176.60 3kkm s TYR 4 N -1.17 1.41 -0.41 1.61 1.51 -1.09 -4.94 117.35 114.28 3kkm s TYR 4 Ca 0.23 -0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 55.60 3kkm s TYR 4 Cb -0.14 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 3kkm s TYR 4 CO 0.12 -0.29 0.30 0.21 -1.11 0.00 0.00 175.55 174.78 3kkm s LYS 5 N 0.78 2.97 -0.05 -0.62 2.20 -1.26 -0.28 119.74 123.49 3kkm s LYS 5 Ca -0.12 -1.02 0.02 0.00 -0.36 0.00 0.00 55.97 54.49 3kkm s LYS 5 Cb -0.15 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 3kkm s LYS 5 CO 0.02 -0.76 -0.10 -0.51 -0.36 0.00 0.00 175.35 173.65 3kkm s LEU 6 N 1.69 3.00 -0.10 5.43 1.43 0.65 -0.55 118.68 130.22 3kkm s LEU 6 Ca 0.05 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3kkm s LEU 6 Cb -0.19 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3kkm s LEU 6 CO 0.10 0.35 -0.19 -0.69 0.23 0.00 0.00 176.35 176.14 3kkm s VAL 7 N -0.81 1.74 -0.30 -1.59 1.01 -0.43 -0.80 120.40 119.22 3kkm s VAL 7 Ca 0.13 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 3kkm s VAL 7 Cb -0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3kkm s VAL 7 CO 0.02 0.49 0.16 -0.69 0.00 0.00 0.00 175.10 175.08 3kkm s VAL 8 N 0.64 4.77 0.25 2.92 1.01 -0.08 -0.56 120.40 129.36 3kkm s VAL 8 Ca -0.13 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3kkm s VAL 8 Cb -0.16 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3kkm s VAL 8 CO 0.03 0.11 -0.11 0.68 0.00 0.00 0.00 175.10 175.82 3kkm s VAL 9 N 1.65 1.80 0.00 2.92 -7.23 0.04 -2.21 120.40 117.38 3kkm s VAL 9 Ca 0.05 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 3kkm s VAL 9 Cb -0.17 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3kkm s VAL 9 CO 0.07 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 3kkm n GLY 10 N -0.52 3.12 3.63 2.32 0.00 -1.26 -0.50 105.19 111.97 3kkm n GLY 10 Ca -0.06 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3kkm n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkm n ALA 11 N -1.69 -0.38 -1.63 4.61 0.00 -1.26 -4.15 120.51 116.01 3kkm n ALA 11 Ca 0.00 -0.30 -0.47 0.00 0.00 0.00 0.00 53.44 52.67 3kkm n ALA 11 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 3kkm n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkm n GLY 12 N 0.86 0.62 2.00 0.00 0.00 -1.26 -3.08 105.19 104.33 3kkm n GLY 12 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3kkm n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kkm n GLY 13 N 2.44 0.74 0.20 -0.02 0.00 -1.26 -4.91 105.19 102.37 3kkm n GLY 13 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3kkm n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kkm h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.91 -3.47 116.25 110.97 3kkm h VAL 14 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3kkm h VAL 14 Cb 0.00 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3kkm h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kkm n GLY 15 N 0.55 1.63 0.17 5.19 0.00 -1.26 -4.51 105.19 106.96 3kkm n GLY 15 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 3kkm n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kkm h LYS 16 N 0.00 0.33 -0.20 1.61 1.57 -1.90 0.65 116.57 118.63 3kkm h LYS 16 Ca 0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3kkm h LYS 16 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kkm h LYS 16 CO 0.00 0.22 -0.29 0.77 -0.57 0.00 0.00 179.45 179.59 3kkm h SER 17 N 0.34 0.60 -0.73 0.86 0.02 -1.95 -2.01 113.55 110.69 3kkm h SER 17 Ca 0.19 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 3kkm h SER 17 Cb 0.15 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 3kkm h SER 17 CO -0.17 0.99 0.41 0.00 -1.14 0.00 0.00 176.83 176.93 3kkm h ALA 18 N 0.62 0.99 -0.19 3.77 0.00 -1.90 0.15 119.26 122.70 3kkm h ALA 18 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kkm h ALA 18 Cb 0.86 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kkm h ALA 18 CO 0.07 0.09 0.10 -0.07 0.00 0.00 0.00 179.25 179.44 3kkm h LEU 19 N 0.75 0.25 -0.32 0.00 3.38 -0.75 0.27 115.31 118.89 3kkm h LEU 19 Ca 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kkm h LEU 19 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kkm h LEU 19 CO -0.20 0.28 0.20 0.74 0.09 0.00 0.00 178.44 179.55 3kkm h THR 20 N 0.19 1.10 -0.44 0.22 2.02 -0.86 -1.57 112.91 113.58 3kkm h THR 20 Ca 0.07 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 3kkm h THR 20 Cb 0.10 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3kkm h THR 20 CO -0.01 0.10 -0.11 0.40 0.37 0.00 0.00 175.52 176.28 3kkm h ILE 21 N 0.42 1.26 -0.35 3.11 2.04 -0.60 -0.24 117.51 123.14 3kkm h ILE 21 Ca 0.11 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3kkm h ILE 21 Cb -0.01 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3kkm h ILE 21 CO -0.02 0.40 0.16 -0.61 0.00 0.00 0.00 178.15 178.08 3kkm h GLN 22 N 0.71 0.33 -0.60 2.37 5.75 -0.66 0.49 115.11 123.51 3kkm h GLN 22 Ca 0.12 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3kkm h GLN 22 Cb 0.59 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3kkm h GLN 22 CO 0.04 0.22 0.36 1.25 -2.65 0.00 0.00 178.83 178.04 3kkm h LEU 23 N 0.34 0.72 0.04 -2.39 5.85 -0.55 0.62 115.31 119.95 3kkm h LEU 23 Ca 0.15 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 3kkm h LEU 23 Cb 0.07 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 40.93 3kkm h LEU 23 CO -0.12 0.58 -0.55 0.40 -0.34 0.00 0.00 178.44 178.41 3kkm h ILE 24 N 0.81 1.50 0.00 4.05 1.08 -0.69 -3.40 117.51 120.86 3kkm h ILE 24 Ca 0.21 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 3kkm h ILE 24 Cb -0.01 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 3kkm h ILE 24 CO -0.04 0.62 -1.00 0.00 -0.69 0.00 0.00 178.15 177.04 3kkm n GLN 25 N -4.27 1.88 -3.66 2.37 6.02 0.17 -5.00 117.38 114.88 3kkm n GLN 25 Ca -0.11 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.00 56.58 3kkm n GLN 25 Cb 0.67 -1.16 0.07 0.00 1.02 0.00 0.00 30.24 30.84 3kkm n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kkm n ASN 26 N -1.57 -5.41 -3.92 1.08 5.15 0.21 -4.99 115.26 105.81 3kkm n ASN 26 Ca 0.00 -0.62 -0.11 0.00 -0.60 0.00 0.00 54.58 53.26 3kkm n ASN 26 Cb 0.24 -4.73 -0.13 0.00 -0.53 0.00 0.00 39.78 34.64 3kkm n ASN 26 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3kkm s HIS 27 N -3.33 0.14 -0.13 1.20 2.46 -1.26 -5.02 115.29 109.35 3kkm s HIS 27 Ca 0.53 -0.24 -0.01 0.00 0.47 0.00 0.00 55.06 55.81 3kkm s HIS 27 Cb -0.24 -0.10 -0.02 0.00 -0.13 0.00 0.00 32.58 32.09 3kkm s HIS 27 CO 0.76 -0.08 -0.11 0.12 -2.47 0.00 0.00 174.74 172.96 3kkm s PHE 28 N -0.67 2.86 -0.06 3.88 5.36 -1.26 -3.36 117.98 124.73 3kkm s PHE 28 Ca -0.07 -0.49 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 3kkm s PHE 28 Cb -0.05 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 3kkm s PHE 28 CO -0.00 -0.11 -0.16 0.08 -1.46 0.00 0.00 175.22 173.57 3kkm s VAL 29 N 0.21 2.93 -0.77 3.12 1.01 -1.26 -5.01 120.40 120.63 3kkm s VAL 29 Ca -0.07 -0.76 0.22 0.00 0.00 0.00 0.00 61.98 61.38 3kkm s VAL 29 Cb -0.15 -2.15 0.22 0.00 0.00 0.00 0.00 36.38 34.30 3kkm s VAL 29 CO 0.04 0.58 1.69 0.47 0.00 0.00 0.00 175.10 177.88 3kkm n ASP 30 N 2.57 0.39 -3.66 3.32 8.00 -1.26 -4.79 116.55 121.13 3kkm n ASP 30 Ca -0.17 0.57 -0.15 0.00 0.71 0.00 0.00 54.79 55.75 3kkm n ASP 30 Cb 0.52 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3kkm n ASP 30 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3kkm s GLU 31 N -3.13 0.81 -0.18 -1.24 -1.05 -1.26 -5.14 118.70 107.50 3kkm s GLU 31 Ca 0.08 0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 55.02 3kkm s GLU 31 Cb 0.12 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.23 3kkm s GLU 31 CO 0.42 -0.22 -0.02 0.71 0.95 0.00 0.00 175.26 177.10 3kkm s TYR 32 N -1.02 1.53 0.13 4.83 1.51 -1.26 -5.11 117.35 117.97 3kkm s TYR 32 Ca -0.10 -1.09 -0.34 0.00 -1.01 0.00 0.00 57.07 54.53 3kkm s TYR 32 Cb -0.03 -1.23 -0.17 0.00 -0.11 0.00 0.00 41.96 40.42 3kkm s TYR 32 CO 0.06 -0.63 1.09 -3.47 -1.11 0.00 0.00 175.55 171.48 3kkm n ASP 33 N 4.91 0.78 -0.53 2.29 2.03 -1.26 -4.78 116.55 120.00 3kkm n ASP 33 Ca -0.10 1.14 0.45 0.00 0.52 0.00 0.00 54.79 56.79 3kkm n ASP 33 Cb 0.47 -1.12 0.70 0.00 -0.72 0.00 0.00 41.12 40.45 3kkm n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kkm h PRO 34 N 3.14 0.00 -0.61 -0.67 0.11 -2.05 -1.80 132.00 130.12 3kkm h PRO 34 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kkm h PRO 34 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3kkm h PRO 34 CO 0.68 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.90 3kkm n SER 35 N -3.73 4.92 -4.70 -2.05 7.64 -1.26 -4.99 113.62 109.44 3kkm n SER 35 Ca 0.37 -2.57 -0.36 0.00 1.01 0.00 0.00 58.87 57.32 3kkm n SER 35 Cb 1.82 -0.59 0.08 0.00 -1.01 0.00 0.00 64.21 64.51 3kkm n SER 35 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kkm n ILE 36 N 0.94 4.01 -1.63 0.44 5.41 -0.68 -4.96 119.36 122.90 3kkm n ILE 36 Ca 0.26 -0.42 -0.41 0.00 1.00 0.00 0.00 62.75 63.18 3kkm n ILE 36 Cb 0.95 -1.37 0.01 0.00 -0.71 0.00 0.00 39.64 38.52 3kkm n ILE 36 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3kkm n GLU 37 N -2.19 1.48 0.00 0.38 4.07 -1.26 -4.96 120.64 118.16 3kkm n GLU 37 Ca 0.15 0.53 0.05 0.00 -0.06 0.00 0.00 57.16 57.83 3kkm n GLU 37 Cb 0.49 -2.10 -0.02 0.00 -0.06 0.00 0.00 31.44 29.75 3kkm n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3kkm n ASP 38 N 0.49 1.02 -4.23 4.31 5.68 -1.26 -4.92 116.55 117.64 3kkm n ASP 38 Ca 0.09 -1.01 -0.33 0.00 -0.50 0.00 0.00 54.79 53.04 3kkm n ASP 38 Cb 0.39 0.62 -0.16 0.00 -1.14 0.00 0.00 41.12 40.82 3kkm n ASP 38 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kkm s SER 39 N -1.54 3.34 0.04 -1.12 0.15 -1.26 0.24 113.70 113.55 3kkm s SER 39 Ca 0.07 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.22 3kkm s SER 39 Cb 0.08 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 3kkm s SER 39 CO 0.30 0.12 -0.08 -0.31 1.20 0.00 0.00 173.24 174.47 3kkm s TYR 40 N 0.62 0.69 0.08 3.44 1.51 -0.50 -4.98 117.35 118.20 3kkm s TYR 40 Ca -0.11 -0.48 0.09 0.00 -1.01 0.00 0.00 57.07 55.56 3kkm s TYR 40 Cb -0.16 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3kkm s TYR 40 CO 0.03 -0.07 -0.22 1.03 -1.11 0.00 0.00 175.55 175.21 3kkm s ARG 41 N -1.52 1.79 -0.13 -0.62 1.81 -1.26 -0.47 118.95 118.55 3kkm s ARG 41 Ca -0.09 -1.14 -0.05 0.00 -1.72 0.00 0.00 55.73 52.72 3kkm s ARG 41 Cb -0.10 -2.06 0.06 0.00 -0.45 0.00 0.00 34.95 32.40 3kkm s ARG 41 CO 0.00 0.50 0.27 0.21 -0.68 0.00 0.00 175.30 175.61 3kkm s LYS 42 N -1.72 0.19 -0.22 3.54 2.47 -0.77 -4.96 119.74 118.26 3kkm s LYS 42 Ca 0.15 0.70 -0.12 0.00 -1.56 0.00 0.00 55.97 55.13 3kkm s LYS 42 Cb -0.10 -0.04 -0.05 0.00 -1.46 0.00 0.00 37.83 36.18 3kkm s LYS 42 CO 0.06 -0.24 0.25 -1.14 0.16 0.00 0.00 175.35 174.44 3kkm s GLN 43 N 2.01 4.11 -0.09 4.03 0.74 -1.26 -0.39 119.66 128.81 3kkm s GLN 43 Ca -0.03 -0.09 -0.19 0.00 0.05 0.00 0.00 55.36 55.10 3kkm s GLN 43 Cb -0.11 -3.54 0.04 0.00 1.10 0.00 0.00 33.01 30.50 3kkm s GLN 43 CO -0.09 0.03 0.45 0.54 -0.55 0.00 0.00 175.29 175.67 3kkm s VAL 44 N 1.14 0.02 -0.27 1.34 0.11 -0.44 -4.99 120.40 117.31 3kkm s VAL 44 Ca 0.12 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.79 3kkm s VAL 44 Cb -0.14 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3kkm s VAL 44 CO 0.06 -0.10 0.55 -0.69 -3.33 0.00 0.00 175.10 171.59 3kkm s VAL 45 N -0.69 5.04 -0.18 2.04 1.01 -1.26 -0.32 120.40 126.05 3kkm s VAL 45 Ca -0.08 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.83 3kkm s VAL 45 Cb -0.03 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3kkm s VAL 45 CO 0.04 0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.36 3kkm s ILE 46 N 2.39 2.11 -1.41 2.22 1.01 0.21 -4.70 121.20 123.02 3kkm s ILE 46 Ca 0.23 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3kkm s ILE 46 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3kkm s ILE 46 CO 0.09 0.54 0.37 0.47 0.00 0.00 0.00 174.94 176.41 3kkm n ASP 47 N 4.54 -0.36 0.00 3.58 10.43 -1.26 -1.58 116.55 131.90 3kkm n ASP 47 Ca -0.21 -1.05 0.00 0.00 2.57 0.00 0.00 54.79 56.10 3kkm n ASP 47 Cb 0.50 -2.83 0.00 0.00 1.84 0.00 0.00 41.12 40.64 3kkm n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kkm n GLY 48 N -2.07 0.99 3.44 0.44 0.00 -1.26 -5.00 105.19 101.73 3kkm n GLY 48 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3kkm n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kkm s GLU 49 N -0.06 3.56 -0.27 1.61 2.12 -0.61 -5.07 118.70 119.98 3kkm s GLU 49 Ca 0.00 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 3kkm s GLU 49 Cb 0.00 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.53 3kkm s GLU 49 CO 0.00 0.18 1.21 0.99 -0.54 0.00 0.00 175.26 177.10 3kkm s THR 50 N 0.51 4.32 0.06 -1.70 2.01 -1.26 -0.62 115.64 118.96 3kkm s THR 50 Ca -0.05 1.54 0.06 0.00 0.31 0.00 0.00 61.69 63.55 3kkm s THR 50 Cb -0.15 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3kkm s THR 50 CO 0.03 -0.37 -0.12 0.00 -0.69 0.00 0.00 174.62 173.48 3kkm s LEU 52 N -1.81 4.93 0.22 0.00 2.96 0.50 -1.33 118.68 124.15 3kkm s LEU 52 Ca 0.18 -2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 51.57 3kkm s LEU 52 Cb -0.11 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 3kkm s LEU 52 CO 0.10 -0.43 1.14 -0.76 -1.32 0.00 0.00 176.35 175.09 3kkm s LEU 53 N 0.83 4.50 -0.28 -0.68 1.43 0.47 -2.66 118.68 122.29 3kkm s LEU 53 Ca 0.11 2.24 -0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3kkm s LEU 53 Cb -0.21 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.44 3kkm s LEU 53 CO -0.06 -0.26 -0.02 -0.62 0.23 0.00 0.00 176.35 175.62 3kkm s ASP 54 N -0.33 4.70 -0.21 2.29 2.15 0.62 -1.85 116.67 124.05 3kkm s ASP 54 Ca 0.49 -1.17 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 3kkm s ASP 54 Cb -0.32 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 3kkm s ASP 54 CO 0.39 -0.22 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.44 3kkm s ILE 55 N 1.26 2.84 -0.31 4.11 1.01 0.38 -0.25 121.20 130.24 3kkm s ILE 55 Ca -0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3kkm s ILE 55 Cb -0.19 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3kkm s ILE 55 CO -0.02 0.45 0.18 -0.22 0.00 0.00 0.00 174.94 175.33 3kkm s LEU 56 N 1.40 4.16 -0.76 2.97 2.96 0.02 -1.41 118.68 128.02 3kkm s LEU 56 Ca 0.05 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 3kkm s LEU 56 Cb -0.14 -2.07 0.16 0.00 0.50 0.00 0.00 46.19 44.64 3kkm s LEU 56 CO -0.07 -0.16 0.81 -0.62 -1.32 0.00 0.00 176.35 174.99 3kkm s ASP 57 N 1.68 6.51 0.86 3.68 2.15 0.14 -0.90 116.67 130.79 3kkm s ASP 57 Ca 0.06 -2.09 -0.12 0.00 0.43 0.00 0.00 52.55 50.83 3kkm s ASP 57 Cb -0.17 -2.28 0.11 0.00 -0.30 0.00 0.00 42.92 40.28 3kkm s ASP 57 CO 0.08 -0.87 1.13 0.42 -0.17 0.00 0.00 175.17 175.76 3kkm s THR 58 N 1.63 2.31 0.23 1.71 -4.23 -0.94 -4.69 115.64 111.66 3kkm s THR 58 Ca 0.18 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.60 3kkm s THR 58 Cb -0.15 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 3kkm s THR 58 CO -0.03 -0.13 0.73 0.00 -0.54 0.00 0.00 174.62 174.64 3kkm s ALA 59 N -3.29 3.41 -1.30 3.99 0.00 -1.26 -4.92 121.76 118.38 3kkm s ALA 59 Ca 0.63 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 3kkm s ALA 59 Cb -0.14 -2.82 0.14 0.00 0.00 0.00 0.00 23.12 20.30 3kkm s ALA 59 CO 0.53 0.33 1.88 0.41 0.00 0.00 0.00 175.76 178.90 3kkm n GLY 60 N 0.67 4.43 0.00 0.00 0.00 -1.26 -4.84 105.19 104.19 3kkm n GLY 60 Ca -0.02 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3kkm n GLY 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kkm n MET 72 N 4.68 0.00 0.08 1.61 2.81 -1.26 -4.62 117.12 120.43 3kkm n MET 72 Ca 0.42 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.29 3kkm n MET 72 Cb 0.38 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 33.14 3kkm n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kkm h ARG 73 N 0.00 0.28 0.04 0.03 3.08 -2.01 -3.24 114.38 112.57 3kkm h ARG 73 Ca 0.00 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 3kkm h ARG 73 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kkm h ARG 73 CO 0.00 0.59 -1.21 1.15 -1.07 0.00 0.00 179.97 179.43 3kkm h THR 74 N 0.24 1.49 -3.53 2.04 2.02 -2.00 -3.47 112.91 109.69 3kkm h THR 74 Ca 0.03 -3.17 -0.56 0.00 0.77 0.00 0.00 66.41 63.47 3kkm h THR 74 Cb 0.72 2.81 0.12 0.00 -1.74 0.00 0.00 68.15 70.06 3kkm h THR 74 CO 0.05 0.88 0.47 0.61 0.37 0.00 0.00 175.52 177.91 3kkm n GLY 75 N 1.46 0.50 0.08 2.16 0.00 -1.22 -4.92 105.19 103.24 3kkm n GLY 75 Ca -0.06 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 3kkm n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kkm n GLU 76 N 0.01 0.67 -3.76 1.61 1.02 0.28 -4.97 120.64 115.50 3kkm n GLU 76 Ca 0.07 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 3kkm n GLU 76 Cb 0.40 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 3kkm n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kkm s GLY 77 N -5.12 -0.12 -0.08 0.62 0.00 -1.05 -4.25 107.32 97.32 3kkm s GLY 77 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.70 3kkm s GLY 77 CO 0.84 -0.19 -0.19 -1.36 0.00 0.00 0.00 173.10 172.20 3kkm s PHE 78 N -2.47 2.03 -0.34 1.90 0.08 -0.25 -1.31 117.98 117.62 3kkm s PHE 78 Ca -0.06 -0.76 -0.16 0.00 0.12 0.00 0.00 56.93 56.07 3kkm s PHE 78 Cb -0.01 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3kkm s PHE 78 CO -0.03 -0.32 0.41 -1.17 -0.10 0.00 0.00 175.22 174.02 3kkm s LEU 79 N 0.39 4.41 -0.52 -0.37 2.96 0.27 -1.35 118.68 124.48 3kkm s LEU 79 Ca -0.14 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 3kkm s LEU 79 Cb -0.16 -2.42 0.13 0.00 0.50 0.00 0.00 46.19 44.24 3kkm s LEU 79 CO 0.06 -0.39 0.42 0.00 -1.32 0.00 0.00 176.35 175.12 3kkm s VAL 81 N 1.26 5.44 0.35 0.00 1.01 0.34 -1.52 120.40 127.28 3kkm s VAL 81 Ca 0.07 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3kkm s VAL 81 Cb -0.26 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3kkm s VAL 81 CO -0.01 0.52 0.06 0.72 0.00 0.00 0.00 175.10 176.39 3kkm s PHE 82 N -0.28 1.99 -0.08 5.22 -0.12 -0.16 -4.04 117.98 120.51 3kkm s PHE 82 Ca 0.12 -0.97 -0.01 0.00 -0.05 0.00 0.00 56.93 56.02 3kkm s PHE 82 Cb -0.12 -1.32 -0.03 0.00 -0.63 0.00 0.00 43.02 40.92 3kkm s PHE 82 CO 0.01 0.02 -0.03 0.00 -0.05 0.00 0.00 175.22 175.17 3kkm s ALA 83 N -3.22 3.13 -1.08 1.99 0.00 -1.26 -0.32 121.76 120.99 3kkm s ALA 83 Ca 0.34 -0.85 0.18 0.00 0.00 0.00 0.00 51.96 51.63 3kkm s ALA 83 Cb 0.08 -1.36 0.79 0.00 0.00 0.00 0.00 23.12 22.63 3kkm s ALA 83 CO 0.15 0.57 1.56 0.44 0.00 0.00 0.00 175.76 178.49 3kkm n ILE 84 N 2.22 0.72 -1.37 0.00 -5.35 0.08 -1.17 119.36 114.49 3kkm n ILE 84 Ca -0.18 0.18 -0.08 0.00 -0.27 0.00 0.00 62.75 62.39 3kkm n ILE 84 Cb 0.53 -0.88 0.20 0.00 -1.74 0.00 0.00 39.64 37.76 3kkm n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3kkm n ASN 85 N -1.46 2.90 -3.41 7.28 6.94 -1.26 -0.86 115.26 125.39 3kkm n ASN 85 Ca 0.05 -3.69 -0.25 0.00 -0.02 0.00 0.00 54.58 50.67 3kkm n ASN 85 Cb 0.19 -0.68 -0.10 0.00 -2.36 0.00 0.00 39.78 36.83 3kkm n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kkm s ASN 86 N -2.18 2.16 0.19 0.53 3.84 -0.31 -4.85 114.94 114.31 3kkm s ASN 86 Ca 0.48 -2.17 -0.12 0.00 0.21 0.00 0.00 52.86 51.25 3kkm s ASN 86 Cb 0.42 -0.11 0.18 0.00 -0.55 0.00 0.00 41.25 41.19 3kkm s ASN 86 CO 0.03 -0.27 1.76 0.74 -2.79 0.00 0.00 177.10 176.58 3kkm h THR 87 N 4.95 0.87 -0.88 -5.21 2.02 -1.88 -1.69 112.91 111.09 3kkm h THR 87 Ca 0.09 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.21 3kkm h THR 87 Cb 0.98 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 3kkm h THR 87 CO 0.26 0.08 0.54 0.50 0.37 0.00 0.00 175.52 177.26 3kkm h LYS 88 N 0.42 0.90 -0.38 6.66 3.64 -1.95 -0.86 116.57 125.01 3kkm h LYS 88 Ca 0.25 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3kkm h LYS 88 Cb 0.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kkm h LYS 88 CO -0.22 0.60 0.07 0.66 -2.27 0.00 0.00 179.45 178.28 3kkm h SER 89 N 0.93 0.52 -0.02 4.20 4.64 -1.66 0.91 113.55 123.07 3kkm h SER 89 Ca 0.41 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3kkm h SER 89 Cb 0.29 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kkm h SER 89 CO -0.21 0.54 -0.00 0.15 -0.87 0.00 0.00 176.83 176.43 3kkm h PHE 90 N 0.55 0.04 -0.94 4.77 3.04 -0.95 -3.02 116.94 120.42 3kkm h PHE 90 Ca 0.12 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.24 3kkm h PHE 90 Cb 0.25 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 38.67 3kkm h PHE 90 CO 0.01 0.40 0.60 0.93 -2.02 0.00 0.00 178.31 178.23 3kkm h GLU 91 N -0.34 0.64 0.00 1.11 5.08 -0.71 -1.86 114.58 118.50 3kkm h GLU 91 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kkm h GLU 91 Cb 0.39 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kkm h GLU 91 CO 0.00 0.42 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.97 3kkm h ASP 92 N 0.66 0.00 -0.96 1.42 3.32 -0.71 -3.16 116.42 116.98 3kkm h ASP 92 Ca 0.50 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.72 3kkm h ASP 92 Cb 0.89 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 3kkm h ASP 92 CO -0.25 0.03 0.61 0.40 -1.72 0.00 0.00 179.24 178.30 3kkm h ILE 93 N 0.00 0.75 -0.67 0.35 1.08 -1.24 -1.22 117.51 116.56 3kkm h ILE 93 Ca -0.00 -0.24 0.13 0.00 -0.39 0.00 0.00 64.86 64.36 3kkm h ILE 93 Cb 0.31 -0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 33.96 3kkm h ILE 93 CO 0.00 0.13 0.16 -0.74 -0.69 0.00 0.00 178.15 177.01 3kkm h HIS 94 N 0.70 0.26 -0.58 1.37 2.76 -1.76 0.19 115.15 118.09 3kkm h HIS 94 Ca 0.52 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.71 3kkm h HIS 94 Cb 0.88 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 3kkm h HIS 94 CO -0.00 -0.04 0.28 1.96 -1.30 0.00 0.00 177.93 178.82 3kkm h GLN 95 N 0.28 0.84 -0.65 5.26 7.50 -1.46 0.75 115.11 127.62 3kkm h GLN 95 Ca 0.37 -0.12 -0.04 0.00 0.50 0.00 0.00 58.65 59.35 3kkm h GLN 95 Cb 0.58 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 3kkm h GLN 95 CO -0.45 0.68 0.23 1.88 -1.50 0.00 0.00 178.83 179.68 3kkm h TYR 96 N 0.79 1.02 -0.40 2.96 0.05 -1.22 -1.05 116.97 119.11 3kkm h TYR 96 Ca 0.20 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3kkm h TYR 96 Cb 0.12 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3kkm h TYR 96 CO -0.00 0.81 0.16 -0.09 -1.05 0.00 0.00 178.16 178.00 3kkm h ARG 97 N 0.93 0.60 -0.75 4.88 9.65 -0.71 -0.11 114.38 128.87 3kkm h ARG 97 Ca 0.21 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3kkm h ARG 97 Cb 0.25 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 3kkm h ARG 97 CO -0.01 0.57 0.39 0.93 2.80 0.00 0.00 179.97 184.65 3kkm h GLU 98 N 0.51 1.06 -0.60 0.20 4.39 -0.61 -0.78 114.58 118.75 3kkm h GLU 98 Ca 0.13 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3kkm h GLU 98 Cb 0.19 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3kkm h GLU 98 CO -0.01 0.81 0.18 0.37 -1.16 0.00 0.00 179.01 179.19 3kkm h GLN 99 N 1.05 0.94 -0.48 2.33 4.15 -1.01 -1.35 115.11 120.73 3kkm h GLN 99 Ca 0.26 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3kkm h GLN 99 Cb 0.07 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3kkm h GLN 99 CO -0.04 0.84 -0.01 0.82 -1.93 0.00 0.00 178.83 178.51 3kkm h ILE 100 N 0.85 1.26 -0.87 2.39 2.04 -0.63 -1.53 117.51 121.03 3kkm h ILE 100 Ca 0.19 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3kkm h ILE 100 Cb 0.30 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3kkm h ILE 100 CO -0.00 0.38 0.48 0.11 0.00 0.00 0.00 178.15 179.12 3kkm h LYS 101 N 0.72 1.22 -0.06 2.37 1.57 -0.99 -1.82 116.57 119.58 3kkm h LYS 101 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kkm h LYS 101 Cb 0.53 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kkm h LYS 101 CO 0.03 0.89 0.00 -0.09 -0.57 0.00 0.00 179.45 179.71 3kkm h ARG 102 N 1.22 0.10 -0.70 3.15 2.43 -1.02 0.89 114.38 120.46 3kkm h ARG 102 Ca 0.31 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3kkm h ARG 102 Cb 0.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3kkm h ARG 102 CO -0.05 0.37 0.46 0.28 -1.51 0.00 0.00 179.97 179.52 3kkm h VAL 103 N -0.18 1.14 -0.01 0.20 2.07 -1.12 -2.52 116.25 115.82 3kkm h VAL 103 Ca 0.02 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kkm h VAL 103 Cb 0.32 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3kkm h VAL 103 CO 0.00 0.16 -0.38 0.29 0.02 0.00 0.00 177.57 177.67 3kkm n LYS 104 N -4.45 1.05 -4.23 1.57 4.76 -0.70 -4.96 118.16 111.21 3kkm n LYS 104 Ca 0.08 -0.78 -0.30 0.00 -2.87 0.00 0.00 58.31 54.45 3kkm n LYS 104 Cb 0.09 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.71 3kkm n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3kkm n ASP 105 N -0.30 0.63 -3.54 4.39 2.03 0.24 -4.94 116.55 115.06 3kkm n ASP 105 Ca 0.11 -1.21 -0.17 0.00 0.52 0.00 0.00 54.79 54.03 3kkm n ASP 105 Cb 0.41 -1.94 -0.06 0.00 -0.72 0.00 0.00 41.12 38.81 3kkm n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3kkm s SER 106 N -4.38 -0.67 -0.05 1.67 0.15 -0.75 -5.01 113.70 104.65 3kkm s SER 106 Ca 0.00 0.84 0.18 0.00 0.70 0.00 0.00 55.95 57.67 3kkm s SER 106 Cb -0.00 0.70 0.58 0.00 -1.71 0.00 0.00 66.02 65.59 3kkm s SER 106 CO 0.97 -0.54 1.49 -0.90 1.20 0.00 0.00 173.24 175.46 3kkm n ASP 107 N 1.23 3.96 -3.84 5.45 5.68 -1.26 -4.30 116.55 123.47 3kkm n ASP 107 Ca -0.18 -2.23 -0.28 0.00 -0.50 0.00 0.00 54.79 51.60 3kkm n ASP 107 Cb 0.57 -0.46 -0.12 0.00 -1.14 0.00 0.00 41.12 39.97 3kkm n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3kkm n ASP 108 N 1.01 3.04 -4.16 -1.12 2.03 -1.26 -5.01 116.55 111.07 3kkm n ASP 108 Ca 0.21 -3.22 -0.28 0.00 0.52 0.00 0.00 54.79 52.02 3kkm n ASP 108 Cb 0.68 -0.75 -0.16 0.00 -0.72 0.00 0.00 41.12 40.17 3kkm n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kkm s VAL 109 N -1.56 1.63 0.03 5.18 1.01 -1.26 -5.09 120.40 120.34 3kkm s VAL 109 Ca 0.27 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 61.12 3kkm s VAL 109 Cb -0.02 -1.41 -0.11 0.00 0.00 0.00 0.00 36.38 34.84 3kkm s VAL 109 CO -0.15 0.46 1.88 -2.65 0.00 0.00 0.00 175.10 174.64 3kkm n PRO 110 N 3.31 2.57 -3.65 2.72 -0.02 -1.26 -4.93 135.00 133.74 3kkm n PRO 110 Ca -0.19 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.08 3kkm n PRO 110 Cb 0.53 -2.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.10 3kkm n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3kkm s MET 111 N 3.60 0.78 -0.05 -0.52 1.75 -1.26 -1.09 119.30 122.52 3kkm s MET 111 Ca 0.88 0.48 0.03 0.00 -1.25 0.00 0.00 55.69 55.82 3kkm s MET 111 Cb -0.55 0.37 0.01 0.00 2.84 0.00 0.00 34.83 37.50 3kkm s MET 111 CO 0.44 -0.17 -0.12 0.08 -0.65 0.00 0.00 175.02 174.60 3kkm s VAL 112 N -0.39 1.07 -0.16 10.11 1.01 -0.45 -4.26 120.40 127.33 3kkm s VAL 112 Ca -0.05 -0.48 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 3kkm s VAL 112 Cb -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3kkm s VAL 112 CO 0.04 0.33 0.82 -0.22 0.00 0.00 0.00 175.10 176.07 3kkm s LEU 113 N 0.43 4.19 -0.17 3.92 2.96 -0.45 -0.90 118.68 128.65 3kkm s LEU 113 Ca -0.09 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3kkm s LEU 113 Cb -0.13 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.35 3kkm s LEU 113 CO 0.02 -0.37 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.83 3kkm s VAL 114 N 2.00 2.47 -0.50 1.68 1.01 -0.58 -1.22 120.40 125.27 3kkm s VAL 114 Ca 0.38 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3kkm s VAL 114 Cb -0.17 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.26 3kkm s VAL 114 CO 0.13 0.51 0.44 -0.83 0.00 0.00 0.00 175.10 175.35 3kkm s GLY 115 N 1.11 2.06 0.55 4.51 0.00 -0.71 -0.98 107.32 113.86 3kkm s GLY 115 Ca 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 44.72 42.42 3kkm s GLY 115 CO -0.06 1.12 0.77 0.21 0.00 0.00 0.00 173.10 175.15 3kkm s ASN 116 N 3.04 5.26 -0.79 1.64 2.47 0.56 -0.78 114.94 126.34 3kkm s ASN 116 Ca 0.04 -0.03 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 3kkm s ASN 116 Cb -0.27 -0.84 0.00 0.00 -1.45 0.00 0.00 41.25 38.69 3kkm s ASN 116 CO 0.05 -1.15 0.12 0.29 -3.72 0.00 0.00 177.10 172.69 3kkm n LYS 117 N -2.34 -1.43 0.00 0.43 5.02 -0.78 -0.74 118.16 118.32 3kkm n LYS 117 Ca 0.08 0.45 0.07 0.00 -2.02 0.00 0.00 58.31 56.90 3kkm n LYS 117 Cb 0.60 -4.42 0.36 0.00 -0.02 0.00 0.00 35.03 31.54 3kkm n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kkm h ASP 119 N 0.00 0.00 -3.77 0.00 2.03 -1.92 -3.46 116.42 109.30 3kkm h ASP 119 Ca 0.00 -0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 3kkm h ASP 119 Cb 0.14 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 3kkm h ASP 119 CO 0.00 0.00 0.33 -0.76 -1.03 0.00 0.00 179.24 177.78 3kkm s LEU 120 N -5.42 4.56 0.74 0.15 1.43 -0.79 -5.07 118.68 114.28 3kkm s LEU 120 Ca 0.09 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 3kkm s LEU 120 Cb 0.08 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.64 3kkm s LEU 120 CO 0.64 0.10 1.08 0.00 0.23 0.00 0.00 176.35 178.40 3kkm s ALA 121 N -1.30 2.45 -1.13 4.21 0.00 -1.26 -4.41 121.76 120.33 3kkm s ALA 121 Ca 0.43 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 3kkm s ALA 121 Cb -0.24 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3kkm s ALA 121 CO 0.29 -1.51 0.96 0.00 0.00 0.00 0.00 175.76 175.50 3kkm n ALA 122 N -3.32 -1.49 -1.48 0.00 0.00 -1.26 -4.94 120.51 108.02 3kkm n ALA 122 Ca 0.08 0.14 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 3kkm n ALA 122 Cb 0.53 -3.51 0.02 0.00 0.00 0.00 0.00 19.45 16.49 3kkm n ALA 122 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kkm n ARG 123 N -4.12 0.67 0.00 0.00 1.85 -1.26 -4.93 116.66 108.87 3kkm n ARG 123 Ca -0.13 0.25 0.06 0.00 -1.00 0.00 0.00 57.85 57.03 3kkm n ARG 123 Cb 0.60 -1.66 -0.06 0.00 -1.05 0.00 0.00 32.46 30.30 3kkm n ARG 123 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kkm n THR 124 N -1.07 0.00 -4.21 8.89 -2.24 -0.04 -4.87 114.28 110.74 3kkm n THR 124 Ca 0.11 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 3kkm n THR 124 Cb 0.42 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 3kkm n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kkm s VAL 125 N -2.10 2.53 0.43 2.28 1.01 -0.62 -4.86 120.40 119.07 3kkm s VAL 125 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 3kkm s VAL 125 Cb 0.10 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 3kkm s VAL 125 CO 0.49 0.51 0.94 -1.61 0.00 0.00 0.00 175.10 175.42 3kkm s GLU 126 N 1.19 4.17 0.19 2.72 0.41 -1.26 -4.90 118.70 121.21 3kkm s GLU 126 Ca 0.02 1.05 -0.14 0.00 -0.41 0.00 0.00 54.97 55.49 3kkm s GLU 126 Cb -0.14 -2.20 0.18 0.00 -1.78 0.00 0.00 34.13 30.20 3kkm s GLU 126 CO -0.07 -0.05 1.68 1.03 -0.49 0.00 0.00 175.26 177.36 3kkm h SER 127 N 1.79 -0.25 -0.95 -0.19 0.87 -2.00 -2.02 113.55 110.81 3kkm h SER 127 Ca -0.49 0.12 0.16 0.00 -1.23 0.00 0.00 61.79 60.35 3kkm h SER 127 Cb 1.18 0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 63.28 3kkm h SER 127 CO 0.61 -0.09 0.60 -0.09 -0.53 0.00 0.00 176.83 177.34 3kkm h ARG 128 N 0.10 0.72 -0.27 2.24 1.12 -1.99 0.25 114.38 116.56 3kkm h ARG 128 Ca 0.25 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.06 3kkm h ARG 128 Cb 0.37 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 3kkm h ARG 128 CO -0.43 0.48 0.13 1.96 -3.11 0.00 0.00 179.97 179.00 3kkm h GLN 129 N 0.75 0.38 -0.36 0.20 4.20 -1.76 -1.27 115.11 117.26 3kkm h GLN 129 Ca 0.50 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 59.01 3kkm h GLN 129 Cb 0.77 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3kkm h GLN 129 CO -0.26 0.37 -0.34 0.00 -0.67 0.00 0.00 178.83 177.93 3kkm h ALA 130 N 0.99 0.71 -0.89 3.87 0.00 -1.18 -1.85 119.26 120.91 3kkm h ALA 130 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kkm h ALA 130 Cb 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kkm h ALA 130 CO -0.01 0.66 0.51 1.96 0.00 0.00 0.00 179.25 182.37 3kkm h GLN 131 N 0.68 1.22 -0.68 0.00 4.20 -0.81 -0.53 115.11 119.19 3kkm h GLN 131 Ca 0.07 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3kkm h GLN 131 Cb 0.90 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 3kkm h GLN 131 CO 0.08 0.87 0.29 -0.44 -0.67 0.00 0.00 178.83 178.96 3kkm h ASP 132 N 1.23 0.93 -0.02 1.46 3.45 -0.88 -0.35 116.42 122.24 3kkm h ASP 132 Ca 0.32 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 3kkm h ASP 132 Cb -0.01 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 3kkm h ASP 132 CO -0.05 0.84 0.01 0.25 -1.57 0.00 0.00 179.24 178.71 3kkm h LEU 133 N 0.96 0.03 -0.67 1.55 5.85 -0.88 -2.09 115.31 120.06 3kkm h LEU 133 Ca 0.23 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kkm h LEU 133 Cb 0.18 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3kkm h LEU 133 CO -0.02 0.24 0.41 0.00 -0.34 0.00 0.00 178.44 178.73 3kkm h ALA 134 N 0.79 0.87 -0.71 1.25 0.00 -0.99 -2.07 119.26 118.40 3kkm h ALA 134 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kkm h ALA 134 Cb 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kkm h ALA 134 CO -0.00 0.18 0.44 -0.09 0.00 0.00 0.00 179.25 179.77 3kkm h ARG 135 N 0.81 0.81 0.00 0.00 2.43 -0.99 0.26 114.38 117.71 3kkm h ARG 135 Ca 0.27 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3kkm h ARG 135 Cb 0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3kkm h ARG 135 CO -0.11 0.54 -0.09 0.66 -1.51 0.00 0.00 179.97 179.46 3kkm h SER 136 N 0.84 0.00 0.52 -3.80 4.64 -0.70 -1.60 113.55 113.45 3kkm h SER 136 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kkm h SER 136 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3kkm h SER 136 CO -0.13 0.09 -0.56 -1.22 -0.87 0.00 0.00 176.83 174.14 3kkm n TYR 137 N -4.34 0.08 -2.55 4.77 4.01 -0.64 -4.97 117.16 113.52 3kkm n TYR 137 Ca -0.03 0.02 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 3kkm n TYR 137 Cb 0.17 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 3kkm n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kkm n GLY 138 N 1.47 0.24 3.29 2.72 0.00 -0.02 -5.00 105.19 107.89 3kkm n GLY 138 Ca 0.05 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 3kkm n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kkm s ILE 139 N -2.78 1.31 0.53 -0.61 -4.36 -0.61 -5.03 121.20 109.66 3kkm s ILE 139 Ca 0.12 -2.10 -0.20 0.00 -0.26 0.00 0.00 60.65 58.21 3kkm s ILE 139 Cb -0.05 -1.97 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 3kkm s ILE 139 CO 0.14 -0.65 1.11 -2.84 0.24 0.00 0.00 174.94 172.95 3kkm s PRO 140 N -3.73 3.45 -0.15 0.37 0.02 -1.26 -4.16 135.00 129.54 3kkm s PRO 140 Ca 0.20 1.55 -0.01 0.00 0.02 0.00 0.00 61.00 62.76 3kkm s PRO 140 Cb 0.02 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3kkm s PRO 140 CO 0.03 -0.76 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.37 3kkm s TYR 141 N -1.83 2.86 -0.05 6.54 5.04 -1.26 -1.34 117.35 127.31 3kkm s TYR 141 Ca 0.71 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 3kkm s TYR 141 Cb -0.22 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.22 3kkm s TYR 141 CO 0.26 -0.24 -0.05 0.42 -1.34 0.00 0.00 175.55 174.59 3kkm s ILE 142 N 0.52 0.58 0.12 3.14 1.01 -0.35 -5.00 121.20 121.22 3kkm s ILE 142 Ca -0.07 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3kkm s ILE 142 Cb -0.15 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.65 3kkm s ILE 142 CO 0.04 0.23 0.52 -1.61 0.00 0.00 0.00 174.94 174.13 3kkm s GLU 143 N 0.90 3.97 0.06 2.79 2.02 -1.26 -1.74 118.70 125.45 3kkm s GLU 143 Ca -0.11 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.36 3kkm s GLU 143 Cb -0.14 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3kkm s GLU 143 CO 0.00 0.52 -0.05 0.95 0.02 0.00 0.00 175.26 176.70 3kkm s THR 144 N -1.39 0.42 -0.14 3.63 -4.23 0.04 -4.34 115.64 109.63 3kkm s THR 144 Ca 0.35 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3kkm s THR 144 Cb -0.15 -1.37 0.04 0.00 1.34 0.00 0.00 72.50 72.35 3kkm s THR 144 CO 0.19 -0.84 -0.04 -0.55 -0.54 0.00 0.00 174.62 172.83 3kkm s SER 145 N -2.69 2.43 0.53 3.99 0.15 -0.05 -1.24 113.70 116.82 3kkm s SER 145 Ca 0.05 -0.47 0.25 0.00 0.70 0.00 0.00 55.95 56.48 3kkm s SER 145 Cb 0.03 -0.78 1.49 0.00 -1.71 0.00 0.00 66.02 65.05 3kkm s SER 145 CO -0.06 -0.18 2.14 0.00 1.20 0.00 0.00 173.24 176.34 3kkm h ALA 146 N 8.18 1.53 0.18 5.45 0.00 -1.89 0.13 119.26 132.84 3kkm h ALA 146 Ca -0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3kkm h ALA 146 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kkm h ALA 146 CO 0.37 0.09 -0.09 -0.22 0.00 0.00 0.00 179.25 179.41 3kkm h LYS 147 N 0.00 -0.24 0.00 0.00 3.64 -1.94 -3.35 116.57 114.68 3kkm h LYS 147 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kkm h LYS 147 Cb 0.17 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3kkm h LYS 147 CO 0.01 0.17 -0.74 0.25 -2.27 0.00 0.00 179.45 176.87 3kkm n THR 148 N -4.98 0.07 -0.53 1.00 -2.24 -1.21 -4.76 114.28 101.63 3kkm n THR 148 Ca -0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kkm n THR 148 Cb 0.26 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3kkm n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kkm n ARG 149 N -1.66 0.00 -1.64 -0.78 0.63 0.43 -5.01 116.66 108.63 3kkm n ARG 149 Ca 0.04 0.00 -0.53 0.00 -0.92 0.00 0.00 57.85 56.44 3kkm n ARG 149 Cb 0.37 -2.02 -0.06 0.00 0.45 0.00 0.00 32.46 31.20 3kkm n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3kkm n GLN 150 N -2.00 1.34 -0.24 -0.14 7.27 -1.17 -1.96 117.38 120.49 3kkm n GLN 150 Ca 0.00 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3kkm n GLN 150 Cb 0.00 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.48 3kkm n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kkm n GLY 151 N 3.25 1.87 0.18 1.69 0.00 -1.26 -0.87 105.19 110.04 3kkm n GLY 151 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kkm n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kkm h VAL 152 N 0.00 0.77 -0.57 1.61 2.07 -1.69 0.18 116.25 118.62 3kkm h VAL 152 Ca 0.00 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.17 3kkm h VAL 152 Cb 0.00 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3kkm h VAL 152 CO 0.00 0.09 0.28 -0.33 0.02 0.00 0.00 177.57 177.62 3kkm h GLU 153 N -0.59 0.51 -0.69 1.57 5.08 -1.90 -2.35 114.58 116.21 3kkm h GLU 153 Ca -0.04 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3kkm h GLU 153 Cb 0.43 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3kkm h GLU 153 CO 0.06 0.34 0.33 0.22 -1.00 0.00 0.00 179.01 178.96 3kkm h ASP 154 N 0.52 0.42 0.34 1.42 1.82 -1.85 0.14 116.42 119.23 3kkm h ASP 154 Ca 0.26 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 3kkm h ASP 154 Cb 0.20 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.20 3kkm h ASP 154 CO -0.19 0.24 -0.16 0.00 -1.61 0.00 0.00 179.24 177.52 3kkm h ALA 155 N 1.42 -0.46 -0.50 -0.78 0.00 -0.17 -0.15 119.26 118.63 3kkm h ALA 155 Ca 0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kkm h ALA 155 Cb 0.36 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kkm h ALA 155 CO -0.27 -0.63 0.13 0.74 0.00 0.00 0.00 179.25 179.22 3kkm h PHE 156 N -0.71 0.82 -0.02 0.00 -1.00 -1.24 -2.21 116.94 112.58 3kkm h PHE 156 Ca -0.05 -0.09 -0.17 0.00 2.81 0.00 0.00 57.97 60.47 3kkm h PHE 156 Cb 0.49 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3kkm h PHE 156 CO 0.01 0.73 -0.76 1.88 -1.61 0.00 0.00 178.31 178.56 3kkm h TYR 157 N 0.68 0.24 -0.92 -0.55 0.05 -0.75 -1.96 116.97 113.77 3kkm h TYR 157 Ca 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3kkm h TYR 157 Cb 0.31 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 3kkm h TYR 157 CO 0.02 0.86 0.55 1.15 -1.05 0.00 0.00 178.16 179.69 3kkm h THR 158 N 0.11 1.25 -0.81 -2.88 2.02 -0.98 -0.45 112.91 111.18 3kkm h THR 158 Ca -0.02 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3kkm h THR 158 Cb 1.33 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3kkm h THR 158 CO 0.11 0.27 0.43 0.25 0.37 0.00 0.00 175.52 176.95 3kkm h LEU 159 N 1.27 1.03 -0.43 2.58 5.85 -0.93 0.20 115.31 124.89 3kkm h LEU 159 Ca 0.33 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3kkm h LEU 159 Cb -0.05 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3kkm h LEU 159 CO -0.06 0.85 0.19 0.58 -0.34 0.00 0.00 178.44 179.66 3kkm h VAL 160 N 1.14 0.93 0.00 1.05 2.07 -0.78 -1.81 116.25 118.85 3kkm h VAL 160 Ca 0.28 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3kkm h VAL 160 Cb 0.06 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kkm h VAL 160 CO -0.04 0.07 -0.11 0.03 0.02 0.00 0.00 177.57 177.54 3kkm h ARG 161 N 0.39 0.00 -0.12 1.57 3.08 -0.08 -1.88 114.38 117.35 3kkm h ARG 161 Ca 0.19 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 3kkm h ARG 161 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kkm h ARG 161 CO -0.15 0.11 -0.34 0.93 -1.07 0.00 0.00 179.97 179.44 3kkm h GLU 162 N 0.00 0.43 -0.99 0.04 4.39 -0.31 -2.82 114.58 115.32 3kkm h GLU 162 Ca -0.00 -0.31 0.10 0.00 0.34 0.00 0.00 59.36 59.48 3kkm h GLU 162 Cb 0.20 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.83 3kkm h GLU 162 CO 0.01 0.93 0.63 0.82 -1.16 0.00 0.00 179.01 180.25 3kkm h ILE 163 N 0.02 0.98 0.00 3.13 2.04 -0.99 -2.49 117.51 120.20 3kkm h ILE 163 Ca -0.01 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 3kkm h ILE 163 Cb 0.96 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3kkm h ILE 163 CO 0.07 0.19 -0.35 0.03 0.00 0.00 0.00 178.15 178.10 3kkm h ARG 164 N 1.04 0.00 0.00 2.37 3.08 -1.20 -0.56 114.38 119.11 3kkm h ARG 164 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3kkm h ARG 164 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3kkm h ARG 164 CO -0.22 0.35 0.00 1.04 -1.07 0.00 0.00 179.97 180.06 3kkm n GLN 165 N -3.81 0.17 0.00 0.04 6.02 -0.95 -5.11 117.38 113.74 3kkm n GLN 165 Ca -0.01 0.26 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 3kkm n GLN 165 Cb 0.42 -1.75 0.66 0.00 1.02 0.00 0.00 30.24 30.60 3kkm n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63