#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k77 s ARG 3 N 0.00 3.22 -0.00 -0.52 0.52 -1.26 -4.97 118.95 115.93 1k77 s ARG 3 Ca 0.00 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.52 1k77 s ARG 3 Cb 0.00 -4.02 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 1k77 s ARG 3 CO 0.00 -1.15 0.36 -0.06 0.02 0.00 0.00 175.30 174.47 1k77 s PHE 4 N 2.87 3.67 -0.10 -0.53 0.08 -1.26 -0.56 117.98 122.14 1k77 s PHE 4 Ca 0.20 0.86 0.03 0.00 0.12 0.00 0.00 56.93 58.15 1k77 s PHE 4 Cb -0.16 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1k77 s PHE 4 CO 0.16 0.63 -0.22 0.00 -0.10 0.00 0.00 175.22 175.70 1k77 s ALA 5 N -1.15 2.03 -0.01 5.36 0.00 -0.42 -4.06 121.76 123.51 1k77 s ALA 5 Ca 0.24 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 1k77 s ALA 5 Cb -0.15 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1k77 s ALA 5 CO 0.13 0.19 0.89 0.00 0.00 0.00 0.00 175.76 176.97 1k77 s ALA 6 N 0.50 3.22 -0.49 0.00 0.00 -0.61 -0.28 121.76 124.11 1k77 s ALA 6 Ca -0.16 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1k77 s ALA 6 Cb -0.17 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1k77 s ALA 6 CO 0.06 -0.17 0.83 1.21 0.00 0.00 0.00 175.76 177.69 1k77 s ASN 7 N 0.84 6.37 0.00 0.00 3.84 -1.02 -1.23 114.94 123.74 1k77 s ASN 7 Ca 0.47 -0.26 0.21 0.00 0.21 0.00 0.00 52.86 53.49 1k77 s ASN 7 Cb -0.20 -2.40 1.11 0.00 -0.55 0.00 0.00 41.25 39.22 1k77 s ASN 7 CO 0.25 -1.02 1.64 0.18 -2.79 0.00 0.00 177.10 175.36 1k77 n LEU 8 N 6.93 0.00 -1.99 3.21 4.77 0.52 -4.77 117.00 125.67 1k77 n LEU 8 Ca 0.01 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 1k77 n LEU 8 Cb 0.48 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1k77 n LEU 8 CO 0.60 -0.06 1.28 -1.20 -1.33 0.00 0.00 177.39 176.68 1k77 n SER 9 N -1.17 6.54 -1.70 -1.43 7.64 -1.26 -4.77 113.62 117.47 1k77 n SER 9 Ca 0.12 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1k77 n SER 9 Cb 0.13 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1k77 n SER 9 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k77 n PHE 12 N 0.35 -1.33 1.33 1.43 3.72 -1.26 -5.04 117.46 116.66 1k77 n PHE 12 Ca 0.34 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.84 1k77 n PHE 12 Cb 0.58 -0.76 0.56 0.00 -0.94 0.00 0.00 39.48 38.92 1k77 n PHE 12 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1k77 n THR 13 N -1.61 0.00 0.23 4.37 -2.24 -1.26 -2.58 114.28 111.19 1k77 n THR 13 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1k77 n THR 13 Cb 0.28 -0.61 0.58 0.00 -2.10 0.00 0.00 70.33 68.48 1k77 n THR 13 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k77 h GLU 14 N 0.00 0.00 -6.14 -0.78 3.07 -1.99 -3.44 114.58 105.31 1k77 h GLU 14 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 1k77 h GLU 14 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 1k77 h GLU 14 CO 0.00 0.20 -0.70 0.14 -1.40 0.00 0.00 179.01 177.25 1k77 s VAL 15 N -4.15 2.64 0.58 3.13 -7.23 -1.06 -5.11 120.40 109.20 1k77 s VAL 15 Ca -0.02 -2.22 -0.20 0.00 -1.81 0.00 0.00 61.98 57.73 1k77 s VAL 15 Cb 0.13 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1k77 s VAL 15 CO 0.64 -0.33 1.20 -2.65 -0.31 0.00 0.00 175.10 173.64 1k77 n PRO 16 N -0.75 1.27 -0.31 4.82 -0.02 -1.26 -4.79 135.00 133.96 1k77 n PRO 16 Ca -0.05 0.48 -0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1k77 n PRO 16 Cb 0.61 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1k77 n PRO 16 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1k77 h PHE 17 N 0.91 -0.83 -0.01 6.00 3.57 -1.93 0.34 116.94 124.98 1k77 h PHE 17 Ca -0.50 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1k77 h PHE 17 Cb 1.33 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 1k77 h PHE 17 CO 0.42 -0.39 0.04 0.97 -2.23 0.00 0.00 178.31 177.11 1k77 h ILE 18 N -0.04 0.14 -0.00 1.41 6.09 -1.99 -0.57 117.51 122.54 1k77 h ILE 18 Ca 0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1k77 h ILE 18 Cb 0.60 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.86 1k77 h ILE 18 CO -0.88 0.00 -0.41 -0.62 -3.07 0.00 0.00 178.15 173.16 1k77 n GLU 19 N -3.27 0.46 0.23 2.19 1.02 0.10 -4.19 120.64 117.18 1k77 n GLU 19 Ca -0.03 -0.29 0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1k77 n GLU 19 Cb 0.11 -1.49 0.41 0.00 -0.02 0.00 0.00 31.44 30.45 1k77 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k77 h ARG 20 N 0.70 0.00 -0.28 3.49 3.08 -0.99 -2.91 114.38 117.47 1k77 h ARG 20 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1k77 h ARG 20 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1k77 h ARG 20 CO 0.00 0.10 -0.03 0.74 -1.07 0.00 0.00 179.97 179.71 1k77 h PHE 21 N 0.00 0.57 -0.38 3.04 -1.00 -1.73 -0.41 116.94 117.03 1k77 h PHE 21 Ca -0.00 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 1k77 h PHE 21 Cb 0.80 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.20 1k77 h PHE 21 CO 0.00 0.68 -0.13 0.00 -1.61 0.00 0.00 178.31 177.25 1k77 h ALA 22 N 0.80 1.06 -0.63 2.45 0.00 -1.82 -1.92 119.26 119.20 1k77 h ALA 22 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1k77 h ALA 22 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1k77 h ALA 22 CO 0.02 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.02 1k77 h ALA 23 N 1.24 0.83 -0.41 0.00 0.00 -1.31 0.12 119.26 119.74 1k77 h ALA 23 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1k77 h ALA 23 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1k77 h ALA 23 CO 0.04 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.91 1k77 h ALA 24 N 1.06 0.54 -0.63 0.00 0.00 -0.83 -2.15 119.26 117.25 1k77 h ALA 24 Ca 0.20 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1k77 h ALA 24 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1k77 h ALA 24 CO -0.00 0.22 0.17 -0.09 0.00 0.00 0.00 179.25 179.55 1k77 h ARG 25 N 0.52 1.00 -0.48 0.00 9.65 -1.15 -1.74 114.38 122.19 1k77 h ARG 25 Ca 0.13 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1k77 h ARG 25 Cb 0.32 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 1k77 h ARG 25 CO 0.00 0.90 0.32 -0.22 2.80 0.00 0.00 179.97 183.77 1k77 h LYS 26 N 0.93 0.45 0.00 0.20 3.64 -0.75 0.07 116.57 121.11 1k77 h LYS 26 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1k77 h LYS 26 Cb 0.33 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1k77 h LYS 26 CO -0.00 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.48 1k77 h ALA 27 N 1.73 1.00 0.00 5.00 0.00 -0.83 -3.47 119.26 122.69 1k77 h ALA 27 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k77 h ALA 27 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k77 h ALA 27 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1k77 n GLY 28 N 1.13 0.88 3.76 0.00 0.00 0.01 -4.97 105.19 106.00 1k77 n GLY 28 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1k77 n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k77 s PHE 29 N -2.00 3.55 -0.77 1.61 0.08 -0.71 -4.94 117.98 114.80 1k77 s PHE 29 Ca 0.00 1.70 0.22 0.00 0.12 0.00 0.00 56.93 58.97 1k77 s PHE 29 Cb 0.00 -3.25 -0.17 0.00 -0.57 0.00 0.00 43.02 39.03 1k77 s PHE 29 CO 0.00 -0.52 0.87 -0.25 -0.10 0.00 0.00 175.22 175.22 1k77 n ASP 30 N 1.02 0.74 -3.97 1.36 8.00 -1.26 -4.28 116.55 118.15 1k77 n ASP 30 Ca -0.00 -0.67 -0.08 0.00 0.71 0.00 0.00 54.79 54.75 1k77 n ASP 30 Cb 0.46 1.11 -0.09 0.00 -0.02 0.00 0.00 41.12 42.58 1k77 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k77 s ALA 31 N -3.12 0.14 0.13 2.24 0.00 -1.26 -1.71 121.76 118.18 1k77 s ALA 31 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1k77 s ALA 31 Cb 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1k77 s ALA 31 CO 0.86 -0.45 0.05 0.14 0.00 0.00 0.00 175.76 176.36 1k77 s VAL 32 N -3.89 0.11 0.17 0.00 -7.23 -0.33 -1.57 120.40 107.66 1k77 s VAL 32 Ca 0.07 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 1k77 s VAL 32 Cb 0.06 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1k77 s VAL 32 CO -0.10 -0.47 0.34 -1.83 -0.31 0.00 0.00 175.10 172.73 1k77 s GLU 33 N -4.05 1.21 0.21 4.82 -1.05 -0.36 -0.98 118.70 118.50 1k77 s GLU 33 Ca 0.24 -1.10 -0.22 0.00 -0.15 0.00 0.00 54.97 53.74 1k77 s GLU 33 Cb 0.07 0.41 0.07 0.00 -0.44 0.00 0.00 34.13 34.25 1k77 s GLU 33 CO 0.02 -0.46 0.99 -0.59 0.95 0.00 0.00 175.26 176.17 1k77 s PHE 34 N -3.94 0.04 -0.04 4.83 -0.12 -1.05 -0.36 117.98 117.34 1k77 s PHE 34 Ca 0.15 -0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 1k77 s PHE 34 Cb 0.02 0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1k77 s PHE 34 CO -0.01 -0.99 -0.03 -0.07 -0.05 0.00 0.00 175.22 174.07 1k77 h LEU 35 N 2.00 0.00 -7.81 -1.99 3.38 -1.95 -3.33 115.31 105.62 1k77 h LEU 35 Ca -0.28 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.10 1k77 h LEU 35 Cb 1.22 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.61 1k77 h LEU 35 CO 0.35 0.20 -0.82 -0.36 0.09 0.00 0.00 178.44 177.90 1k77 s PHE 36 N -1.29 2.13 -2.05 1.13 0.40 -1.26 -0.47 117.98 116.57 1k77 s PHE 36 Ca -0.02 -1.28 0.24 0.00 -0.60 0.00 0.00 56.93 55.27 1k77 s PHE 36 Cb 0.00 -1.54 0.36 0.00 0.51 0.00 0.00 43.02 42.35 1k77 s PHE 36 CO 0.04 -0.67 1.32 -0.35 0.70 0.00 0.00 175.22 176.26 1k77 n PRO 37 N 4.77 1.20 0.20 0.24 -0.04 -1.26 -4.61 135.00 135.50 1k77 n PRO 37 Ca -0.15 -0.89 0.18 0.00 -0.04 0.00 0.00 63.50 62.60 1k77 n PRO 37 Cb 0.49 -1.48 0.82 0.00 -0.04 0.00 0.00 33.50 33.28 1k77 n PRO 37 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1k77 h TYR 38 N 2.17 0.00 -0.01 0.54 -1.99 -1.95 -1.02 116.97 114.71 1k77 h TYR 38 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1k77 h TYR 38 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.40 1k77 h TYR 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.25 1k77 n ASN 39 N -3.55 0.38 -4.29 3.88 3.02 -1.26 -4.77 115.26 108.67 1k77 n ASN 39 Ca 0.03 -1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 53.14 1k77 n ASN 39 Cb 0.43 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 1k77 n ASN 39 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k77 s TYR 40 N -1.99 1.79 0.58 3.10 1.51 -0.39 -5.13 117.35 116.82 1k77 s TYR 40 Ca 0.42 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1k77 s TYR 40 Cb 0.20 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1k77 s TYR 40 CO 0.33 0.21 1.05 -1.54 -1.11 0.00 0.00 175.55 174.50 1k77 s SER 41 N -1.95 5.89 0.45 2.29 1.04 -1.26 -4.92 113.70 115.24 1k77 s SER 41 Ca 0.07 1.79 0.13 0.00 0.48 0.00 0.00 55.95 58.42 1k77 s SER 41 Cb -0.10 -2.53 1.02 0.00 0.10 0.00 0.00 66.02 64.51 1k77 s SER 41 CO 0.04 -1.09 2.03 0.71 0.98 0.00 0.00 173.24 175.91 1k77 h THR 42 N 0.51 1.10 -0.39 2.02 1.35 -1.97 -2.22 112.91 113.30 1k77 h THR 42 Ca -0.47 -0.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1k77 h THR 42 Cb 1.22 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 1k77 h THR 42 CO 0.58 0.13 0.14 0.25 -0.25 0.00 0.00 175.52 176.37 1k77 h LEU 43 N 0.11 0.55 -0.22 3.87 5.85 -1.97 0.08 115.31 123.58 1k77 h LEU 43 Ca 0.03 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1k77 h LEU 43 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1k77 h LEU 43 CO 0.01 0.59 0.04 1.56 -0.34 0.00 0.00 178.44 180.30 1k77 h GLN 44 N 0.48 0.12 -0.20 1.25 4.20 -1.78 -1.63 115.11 117.56 1k77 h GLN 44 Ca 0.13 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1k77 h GLN 44 Cb 0.22 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1k77 h GLN 44 CO -0.01 0.08 -0.27 0.82 -0.67 0.00 0.00 178.83 178.78 1k77 h ILE 45 N 0.12 1.33 -0.95 2.54 2.04 -1.42 -3.02 117.51 118.15 1k77 h ILE 45 Ca 0.10 -1.47 0.10 0.00 1.00 0.00 0.00 64.86 64.60 1k77 h ILE 45 Cb 0.11 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 1k77 h ILE 45 CO -0.14 0.45 0.59 -0.61 0.00 0.00 0.00 178.15 178.44 1k77 h GLN 46 N 0.20 0.94 -0.74 2.37 4.15 -0.87 -0.28 115.11 120.88 1k77 h GLN 46 Ca 0.02 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1k77 h GLN 46 Cb 0.84 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 1k77 h GLN 46 CO 0.06 0.62 0.27 -0.22 -1.93 0.00 0.00 178.83 177.64 1k77 h LYS 47 N 0.96 1.10 -0.17 1.69 3.11 -1.26 -0.97 116.57 121.03 1k77 h LYS 47 Ca 0.46 -0.20 -0.17 0.00 -2.81 0.00 0.00 60.65 57.92 1k77 h LYS 47 Cb 0.40 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1k77 h LYS 47 CO -0.25 0.91 -0.60 1.96 -2.81 0.00 0.00 179.45 178.66 1k77 h GLN 48 N 1.07 0.57 -0.23 1.90 1.08 -1.14 -0.75 115.11 117.62 1k77 h GLN 48 Ca 0.24 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1k77 h GLN 48 Cb 0.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1k77 h GLN 48 CO -0.02 1.01 0.03 -0.07 -0.95 0.00 0.00 178.83 178.83 1k77 h LEU 49 N 0.43 0.37 -0.31 1.46 3.38 -0.79 -2.03 115.31 117.82 1k77 h LEU 49 Ca -0.00 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1k77 h LEU 49 Cb 1.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1k77 h LEU 49 CO 0.11 0.54 -0.27 -0.33 0.09 0.00 0.00 178.44 178.58 1k77 h GLU 50 N 0.18 0.74 -0.83 1.13 4.39 -1.19 0.15 114.58 119.15 1k77 h GLU 50 Ca 0.07 -0.38 0.06 0.00 0.34 0.00 0.00 59.36 59.46 1k77 h GLU 50 Cb 0.33 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1k77 h GLU 50 CO 0.01 0.99 0.54 0.37 -1.16 0.00 0.00 179.01 179.76 1k77 h GLN 51 N 0.50 0.90 -0.59 2.33 5.75 -1.11 -2.33 115.11 120.56 1k77 h GLN 51 Ca 0.05 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1k77 h GLN 51 Cb 0.84 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1k77 h GLN 51 CO 0.07 0.59 0.00 0.09 -2.65 0.00 0.00 178.83 176.93 1k77 n ASN 52 N -4.48 3.77 -3.88 -0.69 3.02 -0.77 -4.97 115.26 107.27 1k77 n ASN 52 Ca 0.12 -2.11 -0.25 0.00 -0.03 0.00 0.00 54.58 52.32 1k77 n ASN 52 Cb 0.20 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1k77 n ASN 52 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1k77 n HIS 53 N 1.15 -1.72 -4.18 3.10 8.25 -0.18 -4.90 115.22 116.74 1k77 n HIS 53 Ca 0.21 0.75 -0.30 0.00 -0.26 0.00 0.00 57.72 58.11 1k77 n HIS 53 Cb 0.61 -3.87 -0.09 0.00 1.12 0.00 0.00 29.99 27.76 1k77 n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k77 s LEU 54 N -6.87 3.30 -0.14 2.41 1.43 0.35 -4.89 118.68 114.28 1k77 s LEU 54 Ca 0.03 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1k77 s LEU 54 Cb -0.01 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1k77 s LEU 54 CO 0.87 0.18 0.13 -0.89 0.23 0.00 0.00 176.35 176.87 1k77 s THR 55 N -1.26 5.40 -0.44 5.49 2.01 -0.70 -4.69 115.64 121.46 1k77 s THR 55 Ca 0.24 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.24 1k77 s THR 55 Cb -0.11 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.05 1k77 s THR 55 CO 0.16 0.58 0.45 -0.22 -0.69 0.00 0.00 174.62 174.89 1k77 s LEU 56 N -0.69 4.99 0.11 4.42 2.96 -1.26 -1.18 118.68 128.03 1k77 s LEU 56 Ca 0.13 -0.80 0.08 0.00 -0.22 0.00 0.00 54.13 53.32 1k77 s LEU 56 Cb -0.12 -2.35 -0.20 0.00 0.50 0.00 0.00 46.19 44.02 1k77 s LEU 56 CO 0.03 -0.62 1.24 0.00 -1.32 0.00 0.00 176.35 175.67 1k77 h ALA 57 N 8.76 0.40 -1.45 5.97 0.00 -1.43 -3.40 119.26 128.11 1k77 h ALA 57 Ca -0.27 -0.93 0.20 0.00 0.00 0.00 0.00 54.91 53.91 1k77 h ALA 57 Cb 1.11 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.58 1k77 h ALA 57 CO 0.82 1.24 0.76 -1.17 0.00 0.00 0.00 179.25 180.91 1k77 s LEU 58 N -6.64 -0.18 0.27 0.00 2.96 -1.26 -4.38 118.68 109.45 1k77 s LEU 58 Ca 0.01 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.82 1k77 s LEU 58 Cb 0.10 1.47 0.02 0.00 0.50 0.00 0.00 46.19 48.27 1k77 s LEU 58 CO 0.82 -0.24 0.68 0.72 -1.32 0.00 0.00 176.35 177.01 1k77 s PHE 59 N -1.81 -0.11 0.32 5.38 -0.71 -1.25 -2.54 117.98 117.26 1k77 s PHE 59 Ca 0.06 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1k77 s PHE 59 Cb -0.01 0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1k77 s PHE 59 CO -0.04 -1.19 0.27 -0.80 -1.34 0.00 0.00 175.22 172.12 1k77 s ASN 60 N -2.93 5.33 0.66 1.98 -0.87 0.37 -1.26 114.94 118.22 1k77 s ASN 60 Ca 0.12 -0.45 -0.11 0.00 -1.57 0.00 0.00 52.86 50.86 1k77 s ASN 60 Cb -0.05 -1.06 -0.02 0.00 -0.02 0.00 0.00 41.25 40.10 1k77 s ASN 60 CO 0.07 -0.29 1.05 0.42 -2.57 0.00 0.00 177.10 175.78 1k77 s THR 61 N -2.27 4.26 0.70 1.60 -4.23 -0.63 -4.72 115.64 110.35 1k77 s THR 61 Ca 0.39 0.73 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 1k77 s THR 61 Cb -0.06 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1k77 s THR 61 CO 0.26 -0.96 1.10 0.00 -0.54 0.00 0.00 174.62 174.48 1k77 n ALA 62 N -2.87 0.24 0.43 3.99 0.00 -1.26 -4.95 120.51 116.09 1k77 n ALA 62 Ca 0.06 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1k77 n ALA 62 Cb 0.55 -2.20 0.19 0.00 0.00 0.00 0.00 19.45 18.00 1k77 n ALA 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k77 h PRO 63 N -0.05 0.00 0.00 0.00 0.13 -1.93 -3.40 132.00 126.75 1k77 h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1k77 h PRO 63 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1k77 h PRO 63 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 1k77 n GLY 64 N 1.26 0.78 3.33 1.56 0.00 -1.26 -1.09 105.19 109.77 1k77 n GLY 64 Ca 0.03 -1.33 -0.46 0.00 0.00 0.00 0.00 46.02 44.26 1k77 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k77 s ASP 65 N -4.00 6.45 0.41 1.61 -1.08 -1.26 -4.93 116.67 113.87 1k77 s ASP 65 Ca 0.00 -2.12 0.10 0.00 -0.52 0.00 0.00 52.55 50.01 1k77 s ASP 65 Cb 0.00 -2.23 0.92 0.00 -1.46 0.00 0.00 42.92 40.15 1k77 s ASP 65 CO 0.00 -0.79 1.99 0.16 0.52 0.00 0.00 175.17 177.05 1k77 h ILE 66 N 5.44 0.96 0.00 4.11 3.07 -1.82 -0.93 117.51 128.34 1k77 h ILE 66 Ca -0.11 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1k77 h ILE 66 Cb 1.07 0.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1k77 h ILE 66 CO 0.94 0.10 0.00 0.59 -1.05 0.00 0.00 178.15 178.72 1k77 n ASN 67 N -4.48 0.24 -0.71 2.16 5.03 -1.26 -1.84 115.26 114.39 1k77 n ASN 67 Ca 0.09 0.53 0.13 0.00 0.87 0.00 0.00 54.58 56.20 1k77 n ASN 67 Cb 0.28 -0.59 0.33 0.00 -1.02 0.00 0.00 39.78 38.78 1k77 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k77 n ALA 68 N -1.59 2.52 -0.36 5.41 0.00 -0.42 -4.92 120.51 121.16 1k77 n ALA 68 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1k77 n ALA 68 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1k77 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k77 n GLY 69 N 1.26 0.81 3.85 0.00 0.00 -0.77 -5.07 105.19 105.28 1k77 n GLY 69 Ca 0.17 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1k77 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k77 s GLU 70 N -0.66 3.96 -0.40 1.61 2.02 -0.83 -4.75 118.70 119.65 1k77 s GLU 70 Ca 0.00 0.55 0.10 0.00 0.02 0.00 0.00 54.97 55.64 1k77 s GLU 70 Cb 0.00 -2.59 0.36 0.00 0.10 0.00 0.00 34.13 32.00 1k77 s GLU 70 CO 0.00 0.26 0.99 1.87 0.02 0.00 0.00 175.26 178.40 1k77 n TRP 71 N -0.07 -1.20 0.00 1.61 -0.00 -1.19 -4.06 117.44 112.53 1k77 n TRP 71 Ca 0.01 -2.81 0.00 0.00 -0.00 0.00 0.00 57.50 54.70 1k77 n TRP 71 Cb 0.53 0.63 0.00 0.00 -0.00 0.00 0.00 31.31 32.46 1k77 n TRP 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1k77 n GLY 72 N 0.16 3.66 0.00 5.87 0.00 -0.25 -3.26 105.19 111.36 1k77 n GLY 72 Ca 0.12 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1k77 n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k77 n LEU 73 N 0.00 0.25 0.03 0.99 4.77 -1.16 -4.26 117.00 117.62 1k77 n LEU 73 Ca 0.00 -0.33 0.06 0.00 -0.03 0.00 0.00 56.01 55.71 1k77 n LEU 73 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 1k77 n LEU 73 CO 0.00 0.06 0.69 -1.20 -1.33 0.00 0.00 177.39 175.62 1k77 n SER 74 N -1.39 0.14 -0.55 -1.43 7.64 -1.04 -2.07 113.62 114.92 1k77 n SER 74 Ca 0.01 0.54 0.06 0.00 1.01 0.00 0.00 58.87 60.49 1k77 n SER 74 Cb 0.16 -0.57 0.08 0.00 -1.01 0.00 0.00 64.21 62.87 1k77 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k77 n ALA 75 N -1.56 2.40 -2.55 -0.43 0.00 -0.60 -3.08 120.51 114.68 1k77 n ALA 75 Ca 0.02 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 1k77 n ALA 75 Cb 0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1k77 n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k77 s LEU 76 N -1.01 4.38 0.33 0.00 1.02 -0.88 -4.43 118.68 118.09 1k77 s LEU 76 Ca 0.17 -0.10 -0.29 0.00 0.02 0.00 0.00 54.13 53.94 1k77 s LEU 76 Cb 0.11 -2.48 -0.12 0.00 0.02 0.00 0.00 46.19 43.72 1k77 s LEU 76 CO 0.16 -0.41 1.49 -2.65 0.02 0.00 0.00 176.35 174.96 1k77 n PRO 77 N 5.58 2.56 -0.69 1.29 -0.02 -1.26 -2.00 135.00 140.46 1k77 n PRO 77 Ca -0.07 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1k77 n PRO 77 Cb 0.49 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1k77 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k77 n GLY 78 N 1.22 1.21 0.15 -1.23 0.00 -1.26 -4.83 105.19 100.44 1k77 n GLY 78 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1k77 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k77 n ARG 79 N -2.00 2.72 -0.31 1.61 5.12 -0.85 -4.80 116.66 118.16 1k77 n ARG 79 Ca 0.00 -1.80 0.10 0.00 -1.93 0.00 0.00 57.85 54.22 1k77 n ARG 79 Cb 0.00 -1.15 0.26 0.00 -1.16 0.00 0.00 32.46 30.41 1k77 n ARG 79 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1k77 h GLU 80 N 0.39 0.56 -0.10 5.56 3.07 -1.85 -0.39 114.58 121.82 1k77 h GLU 80 Ca 0.00 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1k77 h GLU 80 Cb 0.65 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1k77 h GLU 80 CO 0.01 0.37 -0.27 1.12 -1.40 0.00 0.00 179.01 178.84 1k77 h HIS 81 N 0.57 0.20 -0.00 4.33 2.07 -1.96 -0.09 115.15 120.27 1k77 h HIS 81 Ca 0.51 -0.04 -0.20 0.00 -2.85 0.00 0.00 60.37 57.80 1k77 h HIS 81 Cb 0.82 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.74 1k77 h HIS 81 CO -0.09 0.44 -0.87 0.93 -3.07 0.00 0.00 177.93 175.26 1k77 h GLU 82 N 0.16 0.23 -0.37 5.12 5.08 -1.51 -2.28 114.58 121.01 1k77 h GLU 82 Ca 0.03 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1k77 h GLU 82 Cb 0.57 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1k77 h GLU 82 CO 0.04 0.97 -0.05 0.00 -1.00 0.00 0.00 179.01 178.97 1k77 h ALA 83 N 0.95 0.50 -0.71 3.43 0.00 -0.56 -0.93 119.26 121.94 1k77 h ALA 83 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1k77 h ALA 83 Cb 1.50 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1k77 h ALA 83 CO 0.14 0.32 0.37 0.45 0.00 0.00 0.00 179.25 180.52 1k77 h HIS 84 N 0.49 0.98 -0.79 0.00 3.86 -1.00 0.63 115.15 119.31 1k77 h HIS 84 Ca 0.10 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1k77 h HIS 84 Cb 0.54 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1k77 h HIS 84 CO 0.04 0.69 0.34 0.00 0.86 0.00 0.00 177.93 179.87 1k77 h ALA 85 N 1.41 1.03 -0.59 2.45 0.00 -1.03 0.21 119.26 122.74 1k77 h ALA 85 Ca 0.25 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1k77 h ALA 85 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1k77 h ALA 85 CO -0.04 0.63 0.11 -0.44 0.00 0.00 0.00 179.25 179.52 1k77 h ASP 86 N 1.14 0.92 -0.35 0.00 3.32 -0.17 -1.16 116.42 120.11 1k77 h ASP 86 Ca 0.27 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1k77 h ASP 86 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1k77 h ASP 86 CO -0.03 0.93 0.01 0.40 -1.72 0.00 0.00 179.24 178.83 1k77 h ILE 87 N 0.86 1.26 -0.78 0.35 2.04 -0.46 -1.77 117.51 119.01 1k77 h ILE 87 Ca 0.18 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1k77 h ILE 87 Cb 0.40 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1k77 h ILE 87 CO 0.01 0.32 0.30 0.44 0.00 0.00 0.00 178.15 179.22 1k77 h ASP 88 N 0.44 1.08 -0.28 1.72 3.32 -0.45 -1.65 116.42 120.60 1k77 h ASP 88 Ca 0.10 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1k77 h ASP 88 Cb 0.45 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1k77 h ASP 88 CO 0.02 0.97 -0.19 0.25 -1.72 0.00 0.00 179.24 178.57 1k77 h LEU 89 N 1.14 0.74 -0.91 1.55 5.85 -1.10 -1.72 115.31 120.85 1k77 h LEU 89 Ca 0.26 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1k77 h LEU 89 Cb 0.23 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1k77 h LEU 89 CO -0.02 0.92 0.35 0.00 -0.34 0.00 0.00 178.44 179.34 1k77 h ALA 90 N 1.14 1.14 -0.59 1.25 0.00 -0.95 -1.39 119.26 119.87 1k77 h ALA 90 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1k77 h ALA 90 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1k77 h ALA 90 CO 0.05 0.63 0.17 1.25 0.00 0.00 0.00 179.25 181.35 1k77 h LEU 91 N 1.12 0.88 -0.64 0.00 5.85 -0.88 0.18 115.31 121.81 1k77 h LEU 91 Ca 0.26 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1k77 h LEU 91 Cb 0.15 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1k77 h LEU 91 CO -0.03 0.86 0.39 -0.08 -0.34 0.00 0.00 178.44 179.25 1k77 h GLU 92 N 0.85 0.75 -0.31 1.25 4.81 -0.67 -0.28 114.58 120.98 1k77 h GLU 92 Ca 0.19 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1k77 h GLU 92 Cb 0.31 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1k77 h GLU 92 CO -0.00 0.50 -0.22 1.88 -0.73 0.00 0.00 179.01 180.44 1k77 h TYR 93 N 0.78 0.82 -0.78 0.92 -1.99 -0.92 -2.52 116.97 113.27 1k77 h TYR 93 Ca 0.26 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1k77 h TYR 93 Cb 0.02 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 1k77 h TYR 93 CO -0.05 0.95 0.50 0.00 -0.00 0.00 0.00 178.16 179.56 1k77 h ALA 94 N 0.74 1.40 -0.06 3.88 0.00 -0.25 0.72 119.26 125.70 1k77 h ALA 94 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1k77 h ALA 94 Cb 0.77 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1k77 h ALA 94 CO 0.06 0.54 -0.02 -0.07 0.00 0.00 0.00 179.25 179.75 1k77 h LEU 95 N 1.07 0.12 -1.17 0.00 3.38 -1.03 -0.15 115.31 117.54 1k77 h LEU 95 Ca 0.29 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1k77 h LEU 95 Cb -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1k77 h LEU 95 CO -0.06 0.50 -0.25 0.00 0.09 0.00 0.00 178.44 178.72 1k77 h ALA 96 N 0.62 1.31 -0.46 1.53 0.00 -1.17 -3.01 119.26 118.07 1k77 h ALA 96 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1k77 h ALA 96 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k77 h ALA 96 CO 0.01 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.01 1k77 n LEU 97 N -4.16 3.35 -3.72 0.00 4.77 0.22 -4.93 117.00 112.53 1k77 n LEU 97 Ca -0.01 -1.52 -0.23 0.00 -0.03 0.00 0.00 56.01 54.23 1k77 n LEU 97 Cb 0.36 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1k77 n LEU 97 CO 0.40 0.76 -0.01 -3.20 -1.33 0.00 0.00 177.39 174.00 1k77 n ASN 98 N 1.39 -2.10 -4.56 -1.43 5.15 -0.72 -4.64 115.26 108.35 1k77 n ASN 98 Ca 0.20 -0.79 -0.36 0.00 -0.60 0.00 0.00 54.58 53.04 1k77 n ASN 98 Cb 0.57 -4.12 -0.11 0.00 -0.53 0.00 0.00 39.78 35.59 1k77 n ASN 98 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k77 h GLU 100 N 7.40 0.00 -3.40 0.00 5.08 -1.84 -3.43 114.58 118.39 1k77 h GLU 100 Ca -0.37 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.86 1k77 h GLU 100 Cb 1.17 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 1k77 h GLU 100 CO 0.64 0.00 -0.44 1.14 -1.00 0.00 0.00 179.01 179.35 1k77 s GLN 101 N -3.38 0.54 -0.02 2.33 -2.07 -1.26 -0.81 119.66 114.98 1k77 s GLN 101 Ca 0.05 -0.36 0.02 0.00 -1.82 0.00 0.00 55.36 53.25 1k77 s GLN 101 Cb 0.08 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1k77 s GLN 101 CO 0.58 -0.14 -0.08 0.08 -1.32 0.00 0.00 175.29 174.42 1k77 s VAL 102 N -1.43 0.66 -0.36 3.63 1.01 -0.94 -3.84 120.40 119.14 1k77 s VAL 102 Ca -0.14 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1k77 s VAL 102 Cb -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1k77 s VAL 102 CO 0.02 0.21 0.59 -2.28 0.00 0.00 0.00 175.10 173.64 1k77 s HIS 103 N 0.19 3.15 0.33 5.22 2.46 -0.39 -0.50 115.29 125.75 1k77 s HIS 103 Ca -0.03 0.22 -0.02 0.00 0.47 0.00 0.00 55.06 55.70 1k77 s HIS 103 Cb -0.08 -3.08 0.07 0.00 -0.13 0.00 0.00 32.58 29.37 1k77 s HIS 103 CO 0.00 -0.62 0.45 0.28 -2.47 0.00 0.00 174.74 172.37 1k77 n VAL 104 N 5.55 0.00 0.00 0.89 0.31 -0.89 -1.60 118.33 122.60 1k77 n VAL 104 Ca -0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1k77 n VAL 104 Cb 0.49 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 1k77 n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k77 n ALA 106 N -3.09 1.22 0.00 3.52 0.00 -1.26 -4.79 120.51 116.11 1k77 n ALA 106 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1k77 n ALA 106 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1k77 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k77 n GLY 107 N 1.94 2.70 3.80 0.00 0.00 -1.20 -1.56 105.19 110.88 1k77 n GLY 107 Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1k77 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k77 s VAL 108 N -2.00 4.97 -0.37 1.61 1.01 -1.26 -1.29 120.40 123.08 1k77 s VAL 108 Ca 0.00 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 1k77 s VAL 108 Cb 0.00 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1k77 s VAL 108 CO 0.00 0.52 0.40 -0.69 0.00 0.00 0.00 175.10 175.32 1k77 s VAL 109 N -0.73 5.13 0.53 2.92 1.01 -0.05 -4.91 120.40 124.30 1k77 s VAL 109 Ca 0.26 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1k77 s VAL 109 Cb -0.17 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1k77 s VAL 109 CO 0.14 -0.21 1.08 -2.65 0.00 0.00 0.00 175.10 173.46 1k77 n PRO 110 N 5.47 1.25 -1.72 2.72 -0.02 -1.26 -4.89 135.00 136.56 1k77 n PRO 110 Ca -0.08 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1k77 n PRO 110 Cb 0.49 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1k77 n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k77 n ALA 111 N -1.18 1.55 0.00 3.55 0.00 -1.26 -1.65 120.51 121.53 1k77 n ALA 111 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1k77 n ALA 111 Cb 0.44 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1k77 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k77 n GLY 112 N 0.74 2.94 3.78 0.00 0.00 -1.26 -5.01 105.19 106.38 1k77 n GLY 112 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1k77 n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k77 s GLU 113 N -0.18 3.16 -0.41 1.61 0.41 -0.66 -4.98 118.70 117.66 1k77 s GLU 113 Ca 0.00 1.41 -0.26 0.00 -0.41 0.00 0.00 54.97 55.71 1k77 s GLU 113 Cb 0.00 -2.00 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 1k77 s GLU 113 CO 0.00 -0.96 0.95 0.34 -0.49 0.00 0.00 175.26 175.09 1k77 s ASP 114 N -2.33 6.61 0.49 -0.19 2.15 -1.26 -4.92 116.67 117.22 1k77 s ASP 114 Ca 0.68 0.41 0.15 0.00 0.43 0.00 0.00 52.55 54.22 1k77 s ASP 114 Cb -0.20 -2.47 1.15 0.00 -0.30 0.00 0.00 42.92 41.10 1k77 s ASP 114 CO 0.34 -0.96 2.09 0.00 -0.17 0.00 0.00 175.17 176.47 1k77 h ALA 115 N 8.75 1.88 -0.78 3.66 0.00 -1.94 -2.62 119.26 128.21 1k77 h ALA 115 Ca -0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1k77 h ALA 115 Cb 1.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1k77 h ALA 115 CO 1.01 0.09 0.39 1.49 0.00 0.00 0.00 179.25 182.24 1k77 h GLU 116 N 0.04 1.11 -0.47 0.00 4.57 -1.99 -0.24 114.58 117.60 1k77 h GLU 116 Ca 0.01 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1k77 h GLU 116 Cb 0.10 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1k77 h GLU 116 CO 0.01 0.85 0.05 0.00 -1.18 0.00 0.00 179.01 178.73 1k77 h ARG 117 N 1.09 0.74 -0.22 1.92 3.08 -1.89 -1.19 114.38 117.90 1k77 h ARG 117 Ca 0.27 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1k77 h ARG 117 Cb 0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1k77 h ARG 117 CO -0.04 0.72 -0.56 1.88 -1.07 0.00 0.00 179.97 180.90 1k77 h TYR 118 N 0.70 0.86 -0.48 3.04 -1.99 -1.39 -2.64 116.97 115.07 1k77 h TYR 118 Ca 0.15 -0.31 -0.05 0.00 2.00 0.00 0.00 58.73 60.52 1k77 h TYR 118 Cb 0.36 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1k77 h TYR 118 CO 0.02 1.08 0.11 -0.09 -0.00 0.00 0.00 178.16 179.28 1k77 h ARG 119 N 0.52 0.78 -0.76 4.88 2.43 -0.67 -0.38 114.38 121.17 1k77 h ARG 119 Ca 0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1k77 h ARG 119 Cb 1.13 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1k77 h ARG 119 CO 0.11 0.77 0.40 0.00 -1.51 0.00 0.00 179.97 179.74 1k77 h ALA 120 N 0.98 0.98 -0.53 2.80 0.00 -1.20 -0.89 119.26 121.40 1k77 h ALA 120 Ca 0.15 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1k77 h ALA 120 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1k77 h ALA 120 CO 0.00 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 1k77 h VAL 121 N 1.06 1.26 -0.37 0.00 2.07 -1.23 -2.68 116.25 116.36 1k77 h VAL 121 Ca 0.27 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1k77 h VAL 121 Cb 0.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1k77 h VAL 121 CO -0.04 0.42 0.13 0.15 0.02 0.00 0.00 177.57 178.25 1k77 h PHE 122 N 0.86 0.58 -0.96 1.57 3.57 -0.53 -1.94 116.94 120.10 1k77 h PHE 122 Ca 0.15 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1k77 h PHE 122 Cb 0.59 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1k77 h PHE 122 CO 0.04 0.55 0.63 0.82 -2.23 0.00 0.00 178.31 178.11 1k77 h ILE 123 N 0.45 1.15 -0.18 1.41 2.04 -1.06 0.43 117.51 121.74 1k77 h ILE 123 Ca 0.12 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1k77 h ILE 123 Cb 0.22 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1k77 h ILE 123 CO -0.01 0.22 -0.42 0.44 0.00 0.00 0.00 178.15 178.38 1k77 h ASP 124 N 1.20 0.47 0.23 1.72 3.32 -1.25 -1.78 116.42 120.33 1k77 h ASP 124 Ca 0.39 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1k77 h ASP 124 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1k77 h ASP 124 CO -0.13 0.84 -0.61 0.78 -1.72 0.00 0.00 179.24 178.39 1k77 h ASN 125 N 0.36 0.43 -0.19 6.45 -0.26 -0.71 -1.87 115.58 119.79 1k77 h ASN 125 Ca 0.03 -0.25 -0.13 0.00 -0.56 0.00 0.00 56.30 55.39 1k77 h ASN 125 Cb 0.90 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.02 1k77 h ASN 125 CO 0.08 0.93 -0.33 0.40 -1.06 0.00 0.00 177.43 177.45 1k77 h ILE 126 N 0.28 1.28 -0.57 2.81 1.08 -0.75 -0.81 117.51 120.83 1k77 h ILE 126 Ca -0.01 -1.48 -0.07 0.00 -0.39 0.00 0.00 64.86 62.92 1k77 h ILE 126 Cb 1.14 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1k77 h ILE 126 CO 0.10 0.48 0.08 0.03 -0.69 0.00 0.00 178.15 178.15 1k77 h ARG 127 N 0.59 0.92 -0.26 2.37 3.08 -1.16 0.15 114.38 120.07 1k77 h ARG 127 Ca 0.06 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1k77 h ARG 127 Cb 0.85 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1k77 h ARG 127 CO 0.07 0.87 0.09 -0.92 -1.07 0.00 0.00 179.97 179.01 1k77 h TYR 128 N 0.87 0.40 -0.39 3.04 3.20 -0.97 -1.23 116.97 121.89 1k77 h TYR 128 Ca 0.18 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1k77 h TYR 128 Cb 0.40 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1k77 h TYR 128 CO 0.03 0.43 0.22 0.00 -1.64 0.00 0.00 178.16 177.19 1k77 h ALA 129 N 0.93 0.49 -0.71 1.82 0.00 -0.78 -1.83 119.26 119.18 1k77 h ALA 129 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1k77 h ALA 129 Cb 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1k77 h ALA 129 CO -0.01 0.01 0.43 0.00 0.00 0.00 0.00 179.25 179.69 1k77 h ALA 130 N 1.08 0.95 0.00 0.00 0.00 -0.52 -0.44 119.26 120.33 1k77 h ALA 130 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1k77 h ALA 130 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k77 h ALA 130 CO -0.02 0.18 -0.50 -0.44 0.00 0.00 0.00 179.25 178.47 1k77 h ASP 131 N 0.83 0.00 0.60 0.00 3.32 -1.02 -0.91 116.42 119.23 1k77 h ASP 131 Ca 0.30 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.11 1k77 h ASP 131 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1k77 h ASP 131 CO -0.14 0.50 -1.07 0.03 -1.72 0.00 0.00 179.24 176.84 1k77 h ARG 132 N 0.00 0.25 0.00 3.56 2.47 -0.79 -3.35 114.38 116.53 1k77 h ARG 132 Ca -0.00 -0.36 -0.23 0.00 -1.26 0.00 0.00 59.98 58.13 1k77 h ARG 132 Cb 0.97 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.37 1k77 h ARG 132 CO 0.06 1.11 -1.19 0.74 0.56 0.00 0.00 179.97 181.25 1k77 h PHE 133 N 0.11 0.00 -0.63 3.04 -1.00 -0.99 -3.39 116.94 114.08 1k77 h PHE 133 Ca -0.09 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.80 1k77 h PHE 133 Cb 1.76 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 41.24 1k77 h PHE 133 CO 0.05 1.00 0.21 0.00 -1.61 0.00 0.00 178.31 177.96 1k77 h ALA 134 N 1.00 0.81 -0.05 2.45 0.00 -1.29 -1.71 119.26 120.47 1k77 h ALA 134 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1k77 h ALA 134 Cb 1.84 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1k77 h ALA 134 CO 0.12 -0.22 0.10 -1.35 0.00 0.00 0.00 179.25 177.89 1k77 h PRO 135 N 0.38 0.00 -0.50 0.00 0.11 -1.77 0.24 132.00 130.46 1k77 h PRO 135 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1k77 h PRO 135 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1k77 h PRO 135 CO -0.35 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.16 1k77 n HIS 136 N -3.42 0.65 -1.75 0.65 8.25 -0.68 -4.94 115.22 113.98 1k77 n HIS 136 Ca -0.02 -0.33 -0.14 0.00 -0.26 0.00 0.00 57.72 56.98 1k77 n HIS 136 Cb 0.19 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 1k77 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k77 n GLY 137 N 1.54 0.80 3.92 -1.41 0.00 0.07 -5.01 105.19 105.11 1k77 n GLY 137 Ca 0.21 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1k77 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k77 s LYS 138 N -3.79 2.96 0.27 1.61 1.02 -0.98 -5.01 119.74 115.81 1k77 s LYS 138 Ca 0.00 -1.12 0.07 0.00 0.02 0.00 0.00 55.97 54.94 1k77 s LYS 138 Cb 0.00 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1k77 s LYS 138 CO 0.00 0.12 -0.07 -0.98 -0.92 0.00 0.00 175.35 173.50 1k77 s ARG 139 N -4.07 1.52 -0.09 1.68 1.70 0.01 -4.12 118.95 115.58 1k77 s ARG 139 Ca 0.42 -1.76 0.02 0.00 -0.47 0.00 0.00 55.73 53.94 1k77 s ARG 139 Cb -0.08 -1.15 -0.02 0.00 -0.57 0.00 0.00 34.95 33.14 1k77 s ARG 139 CO 0.29 0.06 -0.17 0.42 -1.08 0.00 0.00 175.30 174.82 1k77 s ILE 140 N -3.01 2.77 0.07 4.99 -1.09 -0.04 -2.21 121.20 122.69 1k77 s ILE 140 Ca 0.29 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 1k77 s ILE 140 Cb 0.03 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 1k77 s ILE 140 CO 0.11 0.55 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.56 1k77 s LEU 141 N -0.01 3.22 -0.12 2.97 1.02 0.34 -1.56 118.68 124.55 1k77 s LEU 141 Ca -0.05 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.88 1k77 s LEU 141 Cb -0.14 -1.94 0.01 0.00 0.02 0.00 0.00 46.19 44.13 1k77 s LEU 141 CO 0.04 0.21 -0.19 0.68 0.02 0.00 0.00 176.35 177.12 1k77 s VAL 142 N -1.18 1.75 -0.20 -1.59 -7.23 -0.54 -2.09 120.40 109.32 1k77 s VAL 142 Ca 0.21 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1k77 s VAL 142 Cb -0.11 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1k77 s VAL 142 CO 0.13 0.49 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.57 1k77 s GLU 143 N 0.84 2.98 0.30 4.82 2.12 -1.26 -0.43 118.70 128.07 1k77 s GLU 143 Ca -0.08 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.10 1k77 s GLU 143 Cb -0.15 -2.74 -0.10 0.00 0.26 0.00 0.00 34.13 31.40 1k77 s GLU 143 CO -0.00 -0.27 1.13 0.00 -0.54 0.00 0.00 175.26 175.58 1k77 s ALA 144 N 1.32 3.39 -0.08 6.30 0.00 -1.26 -4.97 121.76 126.45 1k77 s ALA 144 Ca 0.03 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1k77 s ALA 144 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1k77 s ALA 144 CO -0.09 -0.25 -0.21 -0.51 0.00 0.00 0.00 175.76 174.70 1k77 s LEU 145 N -1.63 1.97 0.56 0.00 1.43 -1.06 -4.88 118.68 115.07 1k77 s LEU 145 Ca 0.47 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 1k77 s LEU 145 Cb -0.32 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1k77 s LEU 145 CO 0.42 0.14 1.16 -0.94 0.23 0.00 0.00 176.35 177.36 1k77 s SER 146 N 0.33 5.50 0.55 2.29 1.04 -1.26 -4.04 113.70 118.11 1k77 s SER 146 Ca -0.15 2.27 0.26 0.00 0.48 0.00 0.00 55.95 58.81 1k77 s SER 146 Cb -0.16 -2.59 1.57 0.00 0.10 0.00 0.00 66.02 64.94 1k77 s SER 146 CO 0.07 -1.38 2.16 1.55 0.98 0.00 0.00 173.24 176.62 1k77 h PRO 147 N 1.07 0.00 0.00 4.02 0.13 -1.91 -1.18 132.00 134.13 1k77 h PRO 147 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1k77 h PRO 147 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1k77 h PRO 147 CO 0.56 0.06 -0.27 0.78 -0.23 0.00 0.00 178.00 178.90 1k77 h GLY 148 N 0.33 0.00 0.36 1.56 0.00 -2.00 -2.78 103.07 100.54 1k77 h GLY 148 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1k77 h GLY 148 CO 0.01 0.00 -2.13 -0.62 0.00 0.00 0.00 176.54 173.80 1k77 n VAL 149 N -3.71 1.67 -3.42 4.60 0.31 -0.74 -4.82 118.33 112.21 1k77 n VAL 149 Ca -0.01 -0.58 -0.25 0.00 -0.01 0.00 0.00 64.34 63.49 1k77 n VAL 149 Cb 0.38 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 1k77 n VAL 149 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1k77 s LYS 150 N -2.53 0.60 0.38 5.55 2.47 -0.52 -5.05 119.74 120.64 1k77 s LYS 150 Ca -0.27 -1.23 -0.27 0.00 -1.56 0.00 0.00 55.97 52.64 1k77 s LYS 150 Cb 0.08 -1.11 -0.11 0.00 -1.46 0.00 0.00 37.83 35.23 1k77 s LYS 150 CO 0.70 -1.22 1.27 -2.30 0.16 0.00 0.00 175.35 173.95 1k77 n PRO 151 N 4.01 1.99 -1.73 4.03 -0.02 -1.05 -2.71 135.00 139.52 1k77 n PRO 151 Ca 0.13 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 62.11 1k77 n PRO 151 Cb 0.40 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1k77 n PRO 151 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1k77 n HIS 152 N 0.04 -0.18 -1.54 6.00 8.25 -1.26 -4.87 115.22 121.66 1k77 n HIS 152 Ca 0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.19 1k77 n HIS 152 Cb 0.38 -3.46 0.07 0.00 1.12 0.00 0.00 29.99 28.10 1k77 n HIS 152 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1k77 s TYR 153 N -2.79 2.49 0.25 4.41 5.04 -1.10 -0.87 117.35 124.77 1k77 s TYR 153 Ca 0.00 1.57 -0.05 0.00 -2.44 0.00 0.00 57.07 56.15 1k77 s TYR 153 Cb 0.00 -3.18 0.48 0.00 0.35 0.00 0.00 41.96 39.61 1k77 s TYR 153 CO 0.00 -1.88 1.66 1.25 -1.34 0.00 0.00 175.55 175.24 1k77 h LEU 154 N -0.40 -0.14 -7.56 6.97 5.85 -1.54 -3.43 115.31 115.06 1k77 h LEU 154 Ca -0.46 0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.29 1k77 h LEU 154 Cb 1.25 0.27 -0.23 0.00 0.37 0.00 0.00 40.66 42.32 1k77 h LEU 154 CO 0.52 -0.11 -0.41 0.72 -0.34 0.00 0.00 178.44 178.82 1k77 s PHE 155 N -6.06 -0.17 0.00 1.25 -0.71 -1.26 -5.05 117.98 105.98 1k77 s PHE 155 Ca -0.13 0.35 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1k77 s PHE 155 Cb 0.22 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1k77 s PHE 155 CO 0.76 -0.23 0.00 -1.13 -1.34 0.00 0.00 175.22 173.27 1k77 n SER 156 N 2.15 3.90 -4.89 1.98 3.41 -1.26 -2.57 113.62 116.34 1k77 n SER 156 Ca -0.18 -0.11 -0.35 0.00 -0.26 0.00 0.00 58.87 57.98 1k77 n SER 156 Cb 0.57 0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 65.46 1k77 n SER 156 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k77 s SER 157 N -1.77 6.45 0.51 4.04 0.15 -1.26 -4.17 113.70 117.64 1k77 s SER 157 Ca 0.00 0.50 0.15 0.00 0.70 0.00 0.00 55.95 57.30 1k77 s SER 157 Cb 0.00 -2.07 1.22 0.00 -1.71 0.00 0.00 66.02 63.46 1k77 s SER 157 CO 0.00 0.30 2.13 1.56 1.20 0.00 0.00 173.24 178.43 1k77 h GLN 158 N 4.20 0.07 -0.01 5.44 1.08 -1.94 -0.45 115.11 123.51 1k77 h GLN 158 Ca -0.51 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.58 1k77 h GLN 158 Cb 1.20 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1k77 h GLN 158 CO 0.65 0.05 -0.49 1.88 -0.95 0.00 0.00 178.83 179.96 1k77 h TYR 159 N 0.07 0.03 -0.24 2.96 0.05 -1.98 0.96 116.97 118.81 1k77 h TYR 159 Ca 0.03 -0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.60 1k77 h TYR 159 Cb 0.03 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1k77 h TYR 159 CO -0.00 0.51 -0.62 1.96 -1.05 0.00 0.00 178.16 178.96 1k77 h GLN 160 N 0.02 0.84 -0.48 4.88 4.20 -1.51 -1.42 115.11 121.64 1k77 h GLN 160 Ca -0.00 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.09 1k77 h GLN 160 Cb 0.88 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1k77 h GLN 160 CO 0.07 1.21 0.16 0.00 -0.67 0.00 0.00 178.83 179.59 1k77 h ALA 161 N 0.66 0.63 -0.67 3.87 0.00 -0.98 -1.57 119.26 121.21 1k77 h ALA 161 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1k77 h ALA 161 Cb 1.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1k77 h ALA 161 CO 0.13 0.28 0.26 -0.07 0.00 0.00 0.00 179.25 179.85 1k77 h LEU 162 N 0.65 0.92 -0.64 0.00 3.38 -0.74 -1.73 115.31 117.16 1k77 h LEU 162 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1k77 h LEU 162 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1k77 h LEU 162 CO -0.01 0.84 0.05 0.00 0.09 0.00 0.00 178.44 179.41 1k77 h ALA 163 N 1.11 0.85 -0.37 1.53 0.00 -1.11 -1.33 119.26 119.94 1k77 h ALA 163 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1k77 h ALA 163 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1k77 h ALA 163 CO -0.02 0.67 0.20 0.82 0.00 0.00 0.00 179.25 180.92 1k77 h ILE 164 N 1.01 1.14 -0.82 0.00 2.04 -1.01 -1.61 117.51 118.25 1k77 h ILE 164 Ca 0.19 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1k77 h ILE 164 Cb 0.51 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1k77 h ILE 164 CO 0.02 0.15 0.36 0.58 0.00 0.00 0.00 178.15 179.26 1k77 h VAL 165 N 0.47 1.26 -0.96 1.67 2.07 -1.13 -0.20 116.25 119.42 1k77 h VAL 165 Ca 0.13 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1k77 h VAL 165 Cb 0.05 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1k77 h VAL 165 CO -0.02 0.33 0.62 -0.08 0.02 0.00 0.00 177.57 178.44 1k77 h GLU 166 N 1.19 1.28 0.00 1.57 4.57 -0.94 -2.35 114.58 119.90 1k77 h GLU 166 Ca 0.28 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 58.21 1k77 h GLU 166 Cb 0.17 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1k77 h GLU 166 CO -0.03 0.86 -0.75 0.93 -1.18 0.00 0.00 179.01 178.85 1k77 h GLU 167 N 1.31 0.00 -0.46 1.92 5.08 -0.78 -3.01 114.58 118.64 1k77 h GLU 167 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1k77 h GLU 167 Cb -0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1k77 h GLU 167 CO -0.07 0.75 0.18 0.28 -1.00 0.00 0.00 179.01 179.15 1k77 h VAL 168 N 0.00 1.17 -5.92 3.13 2.07 -0.54 -3.47 116.25 112.70 1k77 h VAL 168 Ca -0.01 -0.54 -0.28 0.00 0.82 0.00 0.00 66.70 66.70 1k77 h VAL 168 Cb 1.33 0.63 0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1k77 h VAL 168 CO 0.10 0.21 -0.66 0.00 0.02 0.00 0.00 177.57 177.24 1k77 n ALA 169 N -2.47 -2.57 -2.85 1.67 0.00 -0.98 -4.91 120.51 108.41 1k77 n ALA 169 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1k77 n ALA 169 Cb 0.15 -3.02 -0.14 0.00 0.00 0.00 0.00 19.45 16.44 1k77 n ALA 169 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1k77 s ARG 170 N -4.61 0.08 0.31 0.00 1.81 -1.26 -5.04 118.95 110.24 1k77 s ARG 170 Ca 0.25 -0.04 0.26 0.00 -1.72 0.00 0.00 55.73 54.48 1k77 s ARG 170 Cb -0.07 -0.08 1.01 0.00 -0.45 0.00 0.00 34.95 35.37 1k77 s ARG 170 CO 0.81 0.02 1.77 -0.44 -0.68 0.00 0.00 175.30 176.78 1k77 h ASP 171 N 6.12 0.00 -0.29 0.23 3.32 -1.98 -3.18 116.42 120.64 1k77 h ASP 171 Ca -0.25 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1k77 h ASP 171 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 1k77 h ASP 171 CO 0.51 0.00 -0.03 -0.46 -1.72 0.00 0.00 179.24 177.54 1k77 n ASN 172 N -2.42 3.11 -4.30 6.45 6.94 -1.26 -4.96 115.26 118.83 1k77 n ASN 172 Ca 0.02 -3.38 -0.32 0.00 -0.02 0.00 0.00 54.58 50.88 1k77 n ASN 172 Cb 0.28 -0.58 -0.16 0.00 -2.36 0.00 0.00 39.78 36.96 1k77 n ASN 172 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1k77 s VAL 173 N -3.03 2.39 0.22 3.53 1.01 -1.20 -0.86 120.40 122.46 1k77 s VAL 173 Ca 0.43 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1k77 s VAL 173 Cb 0.37 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1k77 s VAL 173 CO 0.04 0.56 0.24 -0.36 0.00 0.00 0.00 175.10 175.58 1k77 s PHE 174 N 0.08 0.95 0.38 5.22 0.08 -0.60 -4.91 117.98 119.19 1k77 s PHE 174 Ca -0.09 -1.20 -0.01 0.00 0.12 0.00 0.00 56.93 55.75 1k77 s PHE 174 Cb -0.15 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 1k77 s PHE 174 CO 0.06 -0.76 0.61 0.96 -0.10 0.00 0.00 175.22 175.99 1k77 s ILE 175 N -4.07 4.95 -0.39 0.64 -4.36 -0.48 -1.47 121.20 116.02 1k77 s ILE 175 Ca 0.34 -0.33 -0.09 0.00 -0.26 0.00 0.00 60.65 60.31 1k77 s ILE 175 Cb 0.05 -3.82 0.06 0.00 1.25 0.00 0.00 42.46 39.99 1k77 s ILE 175 CO 0.12 -0.60 0.21 -1.58 0.24 0.00 0.00 174.94 173.34 1k77 s GLN 176 N -4.43 2.62 -0.95 0.37 0.74 0.43 -2.11 119.66 116.33 1k77 s GLN 176 Ca 0.42 -1.35 -0.21 0.00 0.05 0.00 0.00 55.36 54.27 1k77 s GLN 176 Cb -0.10 -3.69 0.09 0.00 1.10 0.00 0.00 33.01 30.41 1k77 s GLN 176 CO 0.38 -0.85 1.26 -1.17 -0.55 0.00 0.00 175.29 174.36 1k77 s LEU 177 N 1.43 4.29 -0.46 3.68 2.96 -0.25 -4.43 118.68 125.90 1k77 s LEU 177 Ca 0.02 -1.68 -0.20 0.00 -0.22 0.00 0.00 54.13 52.05 1k77 s LEU 177 Cb -0.22 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.03 1k77 s LEU 177 CO 0.03 -1.30 0.65 -0.62 -1.32 0.00 0.00 176.35 173.78 1k77 s ASP 178 N 4.22 6.30 0.43 3.68 -1.08 -1.26 -1.69 116.67 127.26 1k77 s ASP 178 Ca 0.38 -0.47 0.30 0.00 -0.52 0.00 0.00 52.55 52.24 1k77 s ASP 178 Cb -0.04 -2.32 1.46 0.00 -1.46 0.00 0.00 42.92 40.56 1k77 s ASP 178 CO -0.08 -0.82 1.90 0.71 0.52 0.00 0.00 175.17 177.40 1k77 h THR 179 N 5.88 0.00 0.04 1.71 1.35 -1.41 -1.38 112.91 119.09 1k77 h THR 179 Ca -0.26 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1k77 h THR 179 Cb 1.09 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1k77 h THR 179 CO 0.91 0.00 -0.02 0.15 -0.25 0.00 0.00 175.52 176.31 1k77 h PHE 180 N 0.00 -0.04 -0.47 4.73 3.57 -1.84 -0.88 116.94 122.01 1k77 h PHE 180 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1k77 h PHE 180 Cb 0.18 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1k77 h PHE 180 CO 0.00 0.40 -0.07 0.45 -2.23 0.00 0.00 178.31 176.85 1k77 h HIS 181 N -0.50 0.97 -0.59 0.41 3.86 -1.78 -2.04 115.15 115.49 1k77 h HIS 181 Ca -0.00 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1k77 h HIS 181 Cb 0.46 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 1k77 h HIS 181 CO 0.08 0.95 0.36 0.00 0.86 0.00 0.00 177.93 180.17 1k77 h ALA 182 N 0.89 0.76 0.00 2.45 0.00 -1.27 -0.99 119.26 121.11 1k77 h ALA 182 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1k77 h ALA 182 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1k77 h ALA 182 CO 0.04 0.09 -0.55 0.37 0.00 0.00 0.00 179.25 179.19 1k77 h GLN 183 N 0.70 0.00 -0.04 0.00 5.75 -1.07 0.33 115.11 120.78 1k77 h GLN 183 Ca 0.24 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.60 1k77 h GLN 183 Cb 0.03 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1k77 h GLN 183 CO -0.10 0.55 -0.62 0.87 -2.65 0.00 0.00 178.83 176.88 1k77 h LYS 184 N 0.00 0.13 0.00 1.69 1.79 -0.74 -3.37 116.57 116.07 1k77 h LYS 184 Ca -0.01 -0.09 -0.23 0.00 -2.18 0.00 0.00 60.65 58.14 1k77 h LYS 184 Cb 1.00 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 1k77 h LYS 184 CO 0.07 0.71 -1.82 0.28 -1.08 0.00 0.00 179.45 177.62 1k77 n VAL 185 N -3.84 0.81 -0.10 0.50 0.31 -0.43 -4.93 118.33 110.65 1k77 n VAL 185 Ca -0.02 -0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 63.88 1k77 n VAL 185 Cb 0.62 -1.26 -0.08 0.00 -0.91 0.00 0.00 33.84 32.21 1k77 n VAL 185 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1k77 n ASP 186 N -3.20 2.19 -0.04 4.52 8.00 0.97 -5.05 116.55 123.94 1k77 n ASP 186 Ca -0.27 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1k77 n ASP 186 Cb 0.74 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1k77 n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k77 n GLY 187 N 2.34 -1.30 4.01 0.44 0.00 -0.16 -4.95 105.19 105.57 1k77 n GLY 187 Ca -0.35 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1k77 n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k77 n ASN 188 N -0.29 -4.35 0.15 1.61 2.85 -1.26 -4.84 115.26 109.13 1k77 n ASN 188 Ca 0.00 -1.24 0.02 0.00 -0.11 0.00 0.00 54.58 53.25 1k77 n ASN 188 Cb 0.00 -1.85 0.38 0.00 1.24 0.00 0.00 39.78 39.56 1k77 n ASN 188 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1k77 h LEU 189 N -2.34 0.13 -0.72 1.20 3.38 -1.94 -2.71 115.31 112.31 1k77 h LEU 189 Ca -0.70 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 1k77 h LEU 189 Cb 1.40 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1k77 h LEU 189 CO 0.50 0.37 0.36 0.74 0.09 0.00 0.00 178.44 180.50 1k77 h THR 190 N 0.12 1.23 -0.55 0.22 2.02 -1.99 -0.52 112.91 113.45 1k77 h THR 190 Ca 0.02 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1k77 h THR 190 Cb 0.49 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1k77 h THR 190 CO 0.03 0.26 0.32 -0.74 0.37 0.00 0.00 175.52 175.77 1k77 h HIS 191 N 0.99 0.73 -0.15 3.16 -0.00 -1.85 0.87 115.15 118.92 1k77 h HIS 191 Ca 0.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1k77 h HIS 191 Cb 0.09 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1k77 h HIS 191 CO 0.00 0.52 0.01 -0.07 -0.00 0.00 0.00 177.93 178.39 1k77 h LEU 192 N 0.74 0.24 -0.49 0.26 3.38 -1.35 -0.46 115.31 117.64 1k77 h LEU 192 Ca 0.20 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1k77 h LEU 192 Cb 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k77 h LEU 192 CO -0.03 0.47 -0.10 0.40 0.09 0.00 0.00 178.44 179.27 1k77 h ILE 193 N 0.01 1.27 0.00 1.22 2.04 -0.97 -2.64 117.51 118.44 1k77 h ILE 193 Ca 0.04 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1k77 h ILE 193 Cb 0.34 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1k77 h ILE 193 CO 0.01 0.43 -0.46 -0.09 0.00 0.00 0.00 178.15 178.03 1k77 h ARG 194 N 0.78 0.00 0.00 2.37 2.43 -0.87 -3.24 114.38 115.85 1k77 h ARG 194 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1k77 h ARG 194 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1k77 h ARG 194 CO 0.04 0.51 0.00 -0.25 -1.51 0.00 0.00 179.97 178.76 1k77 n ASP 195 N -4.61 0.37 -0.36 -3.80 8.00 -0.18 -2.86 116.55 113.11 1k77 n ASP 195 Ca -0.13 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.00 1k77 n ASP 195 Cb 0.36 -0.64 0.16 0.00 -0.02 0.00 0.00 41.12 40.98 1k77 n ASP 195 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1k77 n TYR 196 N -1.86 0.33 -1.69 1.24 4.02 -1.00 -5.02 117.16 113.18 1k77 n TYR 196 Ca 0.05 -0.86 -0.44 0.00 -0.01 0.00 0.00 57.90 56.64 1k77 n TYR 196 Cb 0.33 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1k77 n TYR 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k77 n ALA 197 N -0.89 1.68 0.00 -0.72 0.00 -1.14 -0.67 120.51 118.78 1k77 n ALA 197 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1k77 n ALA 197 Cb 0.66 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1k77 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k77 n GLY 198 N 2.70 3.30 0.05 0.00 0.00 -1.26 -4.88 105.19 105.10 1k77 n GLY 198 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1k77 n GLY 198 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k77 n LYS 199 N -1.62 0.37 -4.84 1.61 4.76 0.15 -4.84 118.16 113.75 1k77 n LYS 199 Ca 0.00 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.12 1k77 n LYS 199 Cb 0.00 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.41 1k77 n LYS 199 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1k77 s TYR 200 N -3.25 2.76 -0.72 2.13 -0.85 -1.25 -1.38 117.35 114.79 1k77 s TYR 200 Ca 0.02 -0.47 0.15 0.00 -0.52 0.00 0.00 57.07 56.25 1k77 s TYR 200 Cb 0.13 -1.75 -0.17 0.00 0.38 0.00 0.00 41.96 40.55 1k77 s TYR 200 CO 0.80 -0.07 0.65 0.00 -1.52 0.00 0.00 175.55 175.42 1k77 n ALA 201 N 3.06 4.00 -2.95 9.51 0.00 -0.90 -4.91 120.51 128.32 1k77 n ALA 201 Ca -0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 1k77 n ALA 201 Cb 0.52 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 1k77 n ALA 201 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1k77 s HIS 202 N -2.49 0.09 0.04 0.00 5.65 -1.25 -4.62 115.29 112.71 1k77 s HIS 202 Ca 0.06 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.14 1k77 s HIS 202 Cb 0.12 -0.07 -0.02 0.00 -1.18 0.00 0.00 32.58 31.43 1k77 s HIS 202 CO 0.64 -0.34 -0.10 0.08 -0.65 0.00 0.00 174.74 174.37 1k77 s VAL 203 N -1.96 0.78 0.04 0.89 1.01 -1.16 -1.08 120.40 118.91 1k77 s VAL 203 Ca -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1k77 s VAL 203 Cb -0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1k77 s VAL 203 CO -0.01 -0.18 -0.07 -1.10 0.00 0.00 0.00 175.10 173.74 1k77 s GLN 204 N -1.29 0.52 0.09 2.72 -0.21 -0.68 0.15 119.66 120.96 1k77 s GLN 204 Ca -0.04 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.55 1k77 s GLN 204 Cb -0.08 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 1k77 s GLN 204 CO 0.01 0.02 -0.06 0.96 -2.12 0.00 0.00 175.29 174.10 1k77 s ILE 205 N -1.71 0.61 -0.14 1.08 -4.36 -0.05 -0.93 121.20 115.70 1k77 s ILE 205 Ca -0.08 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 1k77 s ILE 205 Cb -0.08 -1.65 0.13 0.00 1.25 0.00 0.00 42.46 42.10 1k77 s ILE 205 CO -0.01 -0.90 1.00 0.00 0.24 0.00 0.00 174.94 175.28 1k77 s ALA 206 N -3.67 -1.93 0.35 2.27 0.00 -1.26 -2.13 121.76 115.38 1k77 s ALA 206 Ca 0.11 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1k77 s ALA 206 Cb 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1k77 s ALA 206 CO -0.06 -0.40 1.22 0.20 0.00 0.00 0.00 175.76 176.72 1k77 s GLY 207 N -1.46 2.97 -0.03 0.00 0.00 0.48 -4.69 107.32 104.59 1k77 s GLY 207 Ca 0.01 1.10 -0.03 0.00 0.00 0.00 0.00 44.72 45.80 1k77 s GLY 207 CO -0.01 1.69 0.15 1.08 0.00 0.00 0.00 173.10 176.00 1k77 s LEU 208 N -2.00 4.24 0.00 0.66 2.01 -1.26 -0.26 118.68 122.07 1k77 s LEU 208 Ca 0.51 0.32 0.23 0.00 0.01 0.00 0.00 54.13 55.20 1k77 s LEU 208 Cb -0.35 -2.41 0.12 0.00 0.01 0.00 0.00 46.19 43.56 1k77 s LEU 208 CO 0.46 0.30 1.17 -0.81 1.01 0.00 0.00 176.35 178.47 1k77 n PRO 209 N 1.23 0.96 -0.12 1.29 -0.04 -1.26 -2.56 135.00 134.50 1k77 n PRO 209 Ca -0.13 -0.76 0.11 0.00 -0.04 0.00 0.00 63.50 62.68 1k77 n PRO 209 Cb 0.53 -1.48 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 1k77 n PRO 209 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k77 n ASP 210 N -0.35 2.33 -3.07 3.54 8.00 -1.25 -4.97 116.55 120.78 1k77 n ASP 210 Ca 0.09 -1.83 -0.20 0.00 0.71 0.00 0.00 54.79 53.56 1k77 n ASP 210 Cb 0.43 -0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.43 1k77 n ASP 210 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1k77 n ARG 211 N 0.76 -6.45 0.00 -1.24 0.63 0.64 -4.89 116.66 106.11 1k77 n ARG 211 Ca 0.17 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1k77 n ARG 211 Cb 0.43 -5.40 0.00 0.00 0.45 0.00 0.00 32.46 27.94 1k77 n ARG 211 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1k77 n HIS 212 N -4.61 0.00 -1.51 -0.14 8.25 -1.23 -0.78 115.22 115.20 1k77 n HIS 212 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.01 1k77 n HIS 212 Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 1k77 n HIS 212 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1k77 n GLU 213 N 0.00 0.85 -0.07 -0.41 4.71 -1.26 -0.38 120.64 124.08 1k77 n GLU 213 Ca 0.00 0.30 0.01 0.00 -0.01 0.00 0.00 57.16 57.46 1k77 n GLU 213 Cb 0.00 -1.59 0.03 0.00 -1.01 0.00 0.00 31.44 28.87 1k77 n GLU 213 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1k77 n PRO 214 N 0.70 1.30 -0.82 3.49 -0.02 -1.26 -3.59 135.00 134.80 1k77 n PRO 214 Ca 0.12 -0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.31 1k77 n PRO 214 Cb 0.33 -1.49 0.25 0.00 -0.02 0.00 0.00 33.50 32.58 1k77 n PRO 214 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1k77 n ASP 215 N -0.00 3.83 -3.68 2.55 5.75 -1.26 -4.61 116.55 119.13 1k77 n ASP 215 Ca 0.02 -3.36 -0.04 0.00 -0.01 0.00 0.00 54.79 51.41 1k77 n ASP 215 Cb 0.29 -0.67 -0.01 0.00 -1.03 0.00 0.00 41.12 39.70 1k77 n ASP 215 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k77 s ASP 216 N -1.73 -0.19 0.00 -1.12 2.15 -1.26 -5.10 116.67 109.42 1k77 s ASP 216 Ca 0.49 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.20 1k77 s ASP 216 Cb 0.41 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.43 1k77 s ASP 216 CO 0.08 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.96 1k77 n GLY 217 N -0.42 -0.56 0.21 2.66 0.00 -1.26 -4.22 105.19 101.60 1k77 n GLY 217 Ca -0.07 -2.26 0.15 0.00 0.00 0.00 0.00 46.02 43.84 1k77 n GLY 217 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k77 h GLU 218 N 6.38 0.00 -5.28 1.61 4.11 -1.90 -3.43 114.58 116.07 1k77 h GLU 218 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 1k77 h GLU 218 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1k77 h GLU 218 CO 0.00 0.00 -0.48 0.42 0.07 0.00 0.00 179.01 179.02 1k77 s ILE 219 N -3.45 5.40 -0.90 -1.06 -1.09 -1.26 -5.03 121.20 113.80 1k77 s ILE 219 Ca 0.04 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.48 1k77 s ILE 219 Cb 0.09 -3.48 0.13 0.00 -1.58 0.00 0.00 42.46 37.62 1k77 s ILE 219 CO 0.52 0.43 1.09 0.21 -1.23 0.00 0.00 174.94 175.96 1k77 s ASN 220 N 0.40 6.60 0.25 3.58 2.47 -1.26 -4.76 114.94 122.22 1k77 s ASN 220 Ca 0.09 -2.01 -0.06 0.00 0.42 0.00 0.00 52.86 51.30 1k77 s ASN 220 Cb -0.11 -2.39 0.26 0.00 -1.45 0.00 0.00 41.25 37.56 1k77 s ASN 220 CO -0.01 -1.06 1.87 1.88 -3.72 0.00 0.00 177.10 176.05 1k77 h TYR 221 N 8.83 1.19 -0.84 0.43 0.05 -1.96 -2.55 116.97 122.12 1k77 h TYR 221 Ca 0.12 -0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.01 1k77 h TYR 221 Cb 1.03 -0.38 -0.06 0.00 1.01 0.00 0.00 36.73 38.33 1k77 h TYR 221 CO 1.14 0.82 0.55 -1.35 -1.05 0.00 0.00 178.16 178.27 1k77 h PRO 222 N 1.21 0.63 -0.36 4.88 0.11 -1.90 0.12 132.00 136.69 1k77 h PRO 222 Ca 0.31 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 1k77 h PRO 222 Cb 0.03 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1k77 h PRO 222 CO -0.05 0.42 -0.32 2.35 -0.21 0.00 0.00 178.00 180.19 1k77 h TRP 223 N 0.65 0.93 -0.58 0.65 7.01 -1.89 -2.79 115.95 119.93 1k77 h TRP 223 Ca 0.41 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1k77 h TRP 223 Cb 0.67 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 1k77 h TRP 223 CO -0.00 1.01 0.19 -0.07 -2.79 0.00 0.00 178.44 176.77 1k77 h LEU 224 N 0.67 0.80 -1.17 0.65 3.38 -0.63 -2.41 115.31 116.59 1k77 h LEU 224 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1k77 h LEU 224 Cb 0.86 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1k77 h LEU 224 CO 0.08 0.76 0.33 -0.26 0.09 0.00 0.00 178.44 179.44 1k77 h PHE 225 N 0.85 0.89 -0.61 1.13 0.04 -0.78 -0.92 116.94 117.55 1k77 h PHE 225 Ca 0.19 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 1k77 h PHE 225 Cb 0.24 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1k77 h PHE 225 CO 0.02 0.64 0.18 0.00 -0.60 0.00 0.00 178.31 178.55 1k77 h ARG 226 N 0.91 0.92 -0.35 1.51 3.08 -1.22 -1.87 114.38 117.36 1k77 h ARG 226 Ca 0.23 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1k77 h ARG 226 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1k77 h ARG 226 CO -0.03 0.80 0.11 1.25 -1.07 0.00 0.00 179.97 181.02 1k77 h LEU 227 N 0.89 0.52 -1.31 3.04 6.46 -0.94 -1.25 115.31 122.72 1k77 h LEU 227 Ca 0.20 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1k77 h LEU 227 Cb 0.27 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 1k77 h LEU 227 CO -0.01 0.59 0.48 -0.26 -0.62 0.00 0.00 178.44 178.62 1k77 h PHE 228 N 0.42 0.88 -0.29 1.25 0.04 -0.80 -1.54 116.94 116.89 1k77 h PHE 228 Ca 0.11 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1k77 h PHE 228 Cb 0.26 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1k77 h PHE 228 CO 0.01 0.53 -0.08 0.22 -0.60 0.00 0.00 178.31 178.39 1k77 h ASP 229 N 0.92 0.56 -0.33 2.17 3.58 -1.03 -0.29 116.42 122.01 1k77 h ASP 229 Ca 0.28 -0.37 0.06 0.00 0.42 0.00 0.00 57.03 57.43 1k77 h ASP 229 Cb -0.00 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 40.84 1k77 h ASP 229 CO -0.08 0.80 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.99 1k77 h GLU 230 N 0.32 0.08 0.00 0.28 4.81 -0.41 -1.22 114.58 118.43 1k77 h GLU 230 Ca 0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1k77 h GLU 230 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1k77 h GLU 230 CO 0.03 0.05 0.00 1.33 -0.73 0.00 0.00 179.01 179.69 1k77 n VAL 231 N -5.19 0.03 -2.47 0.32 0.24 -0.66 -4.91 118.33 105.68 1k77 n VAL 231 Ca 0.01 0.01 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 1k77 n VAL 231 Cb 0.18 -0.54 0.01 0.00 -1.47 0.00 0.00 33.84 32.02 1k77 n VAL 231 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k77 n GLY 232 N 0.94 0.04 3.70 7.63 0.00 -0.46 -4.95 105.19 112.09 1k77 n GLY 232 Ca 0.19 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1k77 n GLY 232 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k77 s TYR 233 N -2.72 2.25 -1.41 1.61 5.04 -0.16 -4.87 117.35 117.08 1k77 s TYR 233 Ca 0.09 0.03 0.12 0.00 -2.44 0.00 0.00 57.07 54.88 1k77 s TYR 233 Cb -0.04 -4.17 0.17 0.00 0.35 0.00 0.00 41.96 38.27 1k77 s TYR 233 CO 0.12 -4.77 1.01 1.04 -1.34 0.00 0.00 175.55 171.61 1k77 n GLN 234 N 5.45 1.36 -0.01 4.97 6.02 -1.26 -4.86 117.38 129.04 1k77 n GLN 234 Ca 0.17 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1k77 n GLN 234 Cb 0.38 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1k77 n GLN 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k77 n GLY 235 N 0.69 0.12 3.85 1.08 0.00 -1.26 -5.08 105.19 104.58 1k77 n GLY 235 Ca 0.09 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1k77 n GLY 235 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k77 s TRP 236 N 0.62 3.20 -0.33 1.61 0.52 -1.26 -4.64 118.94 118.66 1k77 s TRP 236 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.04 1k77 s TRP 236 Cb 0.00 -1.46 0.07 0.00 -1.15 0.00 0.00 33.47 30.93 1k77 s TRP 236 CO 0.00 0.51 0.04 0.42 0.02 0.00 0.00 176.95 177.94 1k77 s ILE 237 N -2.03 2.87 0.10 2.03 1.01 0.27 -3.01 121.20 122.44 1k77 s ILE 237 Ca 0.33 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 1k77 s ILE 237 Cb -0.09 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 1k77 s ILE 237 CO 0.26 -0.31 1.09 -0.83 0.00 0.00 0.00 174.94 175.14 1k77 s GLY 238 N 1.33 2.75 -0.76 6.18 0.00 0.12 -1.30 107.32 115.65 1k77 s GLY 238 Ca -0.00 0.74 -0.16 0.00 0.00 0.00 0.00 44.72 45.30 1k77 s GLY 238 CO -0.03 1.75 0.77 0.00 0.00 0.00 0.00 173.10 175.59 1k77 s GLU 240 N 1.21 2.99 0.08 0.00 2.12 -0.91 -2.44 118.70 121.76 1k77 s GLU 240 Ca 0.17 -2.88 -0.05 0.00 0.36 0.00 0.00 54.97 52.57 1k77 s GLU 240 Cb -0.15 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 1k77 s GLU 240 CO -0.05 -1.23 0.11 1.52 -0.54 0.00 0.00 175.26 175.08 1k77 s TYR 241 N -0.65 0.35 -0.36 5.30 -0.85 -1.26 -4.51 117.35 115.37 1k77 s TYR 241 Ca 0.22 -0.82 -0.16 0.00 -0.52 0.00 0.00 57.07 55.79 1k77 s TYR 241 Cb -0.13 -0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.00 1k77 s TYR 241 CO -0.08 -0.50 0.41 0.21 -1.52 0.00 0.00 175.55 174.07 1k77 s LYS 242 N -3.90 3.46 0.31 -3.49 2.20 0.04 -4.98 119.74 113.37 1k77 s LYS 242 Ca 0.08 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 1k77 s LYS 242 Cb 0.06 -3.85 -0.13 0.00 -1.51 0.00 0.00 37.83 32.40 1k77 s LYS 242 CO -0.09 -0.63 1.17 -2.30 -0.36 0.00 0.00 175.35 173.15 1k77 n PRO 243 N 5.50 1.78 -0.37 4.03 -0.02 -1.26 -4.14 135.00 140.51 1k77 n PRO 243 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1k77 n PRO 243 Cb 0.49 -2.12 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1k77 n PRO 243 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1k77 h ARG 244 N 2.41 1.21 0.00 -0.52 2.43 -1.94 -3.45 114.38 114.52 1k77 h ARG 244 Ca -0.43 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1k77 h ARG 244 Cb 1.31 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1k77 h ARG 244 CO 0.62 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 180.30 1k77 n GLY 245 N -1.37 3.75 3.74 2.80 0.00 -1.26 -5.10 105.19 107.76 1k77 n GLY 245 Ca 0.14 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1k77 n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k77 s LEU 246 N 0.00 4.52 0.15 0.99 1.43 -1.26 -4.95 118.68 119.55 1k77 s LEU 246 Ca 0.00 2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 55.01 1k77 s LEU 246 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1k77 s LEU 246 CO 0.00 -0.18 1.61 0.74 0.23 0.00 0.00 176.35 178.75 1k77 h THR 247 N 3.50 0.31 -0.87 5.49 2.02 -1.99 -2.09 112.91 119.29 1k77 h THR 247 Ca -0.45 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1k77 h THR 247 Cb 1.21 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1k77 h THR 247 CO 0.71 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 176.84 1k77 h GLU 248 N -0.30 1.01 0.00 6.66 3.07 -2.01 -2.04 114.58 120.97 1k77 h GLU 248 Ca 0.13 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1k77 h GLU 248 Cb 0.51 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1k77 h GLU 248 CO -0.42 0.67 0.00 0.93 -1.40 0.00 0.00 179.01 178.79 1k77 h GLU 249 N 1.04 0.00 -0.22 2.33 5.08 -1.77 -2.85 114.58 118.18 1k77 h GLU 249 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1k77 h GLU 249 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1k77 h GLU 249 CO -0.12 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 1k77 n GLY 250 N -0.53 4.03 0.66 -3.84 0.00 -0.77 -4.66 105.19 100.08 1k77 n GLY 250 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1k77 n GLY 250 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k77 n LEU 251 N -0.56 1.90 -0.23 0.99 4.77 -1.08 -4.31 117.00 118.50 1k77 n LEU 251 Ca 0.19 -0.95 0.08 0.00 -0.03 0.00 0.00 56.01 55.30 1k77 n LEU 251 Cb 0.80 -0.26 0.35 0.00 -2.33 0.00 0.00 43.42 41.98 1k77 n LEU 251 CO 0.12 0.44 1.22 1.23 -1.33 0.00 0.00 177.39 179.07 1k77 h GLY 252 N 5.21 1.08 1.37 -0.72 0.00 -1.83 -1.37 103.07 106.80 1k77 h GLY 252 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1k77 h GLY 252 CO 0.02 0.18 0.38 0.11 0.00 0.00 0.00 176.54 177.24 1k77 h TRP 253 N 0.76 0.81 0.13 5.60 5.08 -1.99 -2.63 115.95 123.71 1k77 h TRP 253 Ca 0.37 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.34 1k77 h TRP 253 Cb 0.43 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.32 1k77 h TRP 253 CO -0.00 0.54 -0.06 0.35 -1.28 0.00 0.00 178.44 177.98 1k77 h PHE 254 N 0.86 -0.17 -0.90 0.12 3.57 -1.57 -2.19 116.94 116.66 1k77 h PHE 254 Ca 0.23 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.82 1k77 h PHE 254 Cb -0.04 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 1k77 h PHE 254 CO 0.00 0.16 0.58 -0.44 -2.23 0.00 0.00 178.31 176.39 1k77 h ASP 255 N -0.52 0.81 0.22 0.41 3.45 -1.42 0.25 116.42 119.62 1k77 h ASP 255 Ca -0.02 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1k77 h ASP 255 Cb 0.41 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1k77 h ASP 255 CO 0.03 0.48 -0.10 0.00 -1.57 0.00 0.00 179.24 178.07 1k77 h ALA 256 N 1.55 -0.29 0.00 3.45 0.00 -1.40 -1.00 119.26 121.56 1k77 h ALA 256 Ca 0.42 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1k77 h ALA 256 Cb 0.41 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1k77 h ALA 256 CO -0.18 -0.49 -0.30 -1.49 0.00 0.00 0.00 179.25 176.79 1k77 h TRP 257 N -0.64 0.00 0.00 0.00 6.55 -1.15 -2.27 115.95 118.44 1k77 h TRP 257 Ca -0.03 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.55 1k77 h TRP 257 Cb 0.46 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.71 1k77 h TRP 257 CO 0.03 0.30 -1.53 0.07 -1.05 0.00 0.00 178.44 176.26 1k77 h ARG 258 N 0.00 0.00 0.00 0.49 0.11 -1.01 -3.33 114.38 110.64 1k77 h ARG 258 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1k77 h ARG 258 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 1k77 h ARG 258 CO 0.04 0.55 -0.38 0.78 0.10 0.00 0.00 179.97 181.06 1k77 h GLY 259 N 3.45 0.00 1.00 0.08 0.00 -1.13 -3.51 103.07 102.96 1k77 h GLY 259 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1k77 h GLY 259 CO 0.08 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.36