#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k78 s PHE 4 N 0.00 2.94 -0.19 3.52 0.40 0.64 -4.94 117.98 120.35 3k78 s PHE 4 Ca 0.00 -0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 3k78 s PHE 4 Cb 0.00 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3k78 s PHE 4 CO 0.00 -0.05 -0.04 -0.80 0.70 0.00 0.00 175.22 175.03 3k78 s ASN 5 N 0.21 4.52 -0.05 1.36 0.01 -1.26 -0.65 114.94 119.08 3k78 s ASN 5 Ca -0.04 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 3k78 s ASN 5 Cb -0.14 -1.76 -0.00 0.00 0.41 0.00 0.00 41.25 39.76 3k78 s ASN 5 CO 0.04 0.07 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.20 3k78 s TYR 6 N 0.96 1.85 -0.02 2.20 1.51 -0.35 -5.03 117.35 118.47 3k78 s TYR 6 Ca 0.00 -0.58 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 3k78 s TYR 6 Cb -0.15 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3k78 s TYR 6 CO 0.01 -0.21 -0.23 -1.21 -1.11 0.00 0.00 175.55 172.80 3k78 s GLU 7 N 0.12 1.97 0.08 -0.62 2.02 -1.26 -0.93 118.70 120.09 3k78 s GLU 7 Ca -0.07 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 3k78 s GLU 7 Cb -0.13 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 3k78 s GLU 7 CO 0.03 0.48 -0.03 0.42 0.02 0.00 0.00 175.26 176.18 3k78 s ILE 8 N -0.47 0.37 0.08 -1.63 1.01 -0.72 -5.03 121.20 114.81 3k78 s ILE 8 Ca 0.07 -1.87 0.06 0.00 0.00 0.00 0.00 60.65 58.91 3k78 s ILE 8 Cb -0.10 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3k78 s ILE 8 CO -0.00 -0.88 -0.16 -1.61 0.00 0.00 0.00 174.94 172.29 3k78 s GLU 9 N -3.91 0.90 0.05 2.79 2.02 -1.26 -1.57 118.70 117.72 3k78 s GLU 9 Ca 0.11 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.11 3k78 s GLU 9 Cb 0.07 -0.96 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 3k78 s GLU 9 CO -0.06 0.21 -0.09 -0.08 0.02 0.00 0.00 175.26 175.26 3k78 s THR 10 N -1.31 0.66 0.07 3.63 -1.32 -0.85 -5.00 115.64 111.52 3k78 s THR 10 Ca 0.01 -1.16 0.09 0.00 -1.21 0.00 0.00 61.69 59.42 3k78 s THR 10 Cb -0.10 -0.74 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 3k78 s THR 10 CO 0.03 -0.37 -0.25 0.42 -2.21 0.00 0.00 174.62 172.24 3k78 s THR 11 N -1.45 2.32 0.11 5.08 -4.23 -1.26 -0.06 115.64 116.15 3k78 s THR 11 Ca -0.08 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3k78 s THR 11 Cb -0.09 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 3k78 s THR 11 CO 0.01 0.29 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.73 3k78 s SER 12 N -1.50 1.51 0.27 3.99 0.15 0.05 -5.00 113.70 113.18 3k78 s SER 12 Ca 0.13 -0.87 0.24 0.00 0.70 0.00 0.00 55.95 56.15 3k78 s SER 12 Cb -0.10 0.01 0.35 0.00 -1.71 0.00 0.00 66.02 64.57 3k78 s SER 12 CO 0.04 -0.29 1.45 0.58 1.20 0.00 0.00 173.24 176.21 3k78 h VAL 13 N 3.35 0.00 -3.81 4.45 2.07 -1.93 -0.15 116.25 120.23 3k78 h VAL 13 Ca -0.37 -0.79 -0.49 0.00 0.82 0.00 0.00 66.70 65.86 3k78 h VAL 13 Cb 1.19 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3k78 h VAL 13 CO 0.56 0.00 0.42 -0.63 0.02 0.00 0.00 177.57 177.94 3k78 s ILE 14 N -3.22 3.74 0.70 4.57 -1.09 -1.26 -4.01 121.20 120.63 3k78 s ILE 14 Ca 0.06 1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 60.00 3k78 s ILE 14 Cb 0.09 -4.04 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3k78 s ILE 14 CO 0.70 0.35 1.20 -2.16 -1.23 0.00 0.00 174.94 173.79 3k78 s PRO 15 N -1.53 2.33 0.31 2.79 0.04 -0.99 -3.10 135.00 134.85 3k78 s PRO 15 Ca 0.45 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3k78 s PRO 15 Cb -0.28 -1.86 0.50 0.00 0.04 0.00 0.00 34.50 32.90 3k78 s PRO 15 CO 0.36 -1.69 1.92 0.00 0.04 0.00 0.00 177.00 177.63 3k78 h ALA 16 N -0.08 1.38 -0.12 8.56 0.00 -1.83 -2.28 119.26 124.89 3k78 h ALA 16 Ca -0.48 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3k78 h ALA 16 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3k78 h ALA 16 CO 0.51 0.49 -0.48 0.00 0.00 0.00 0.00 179.25 179.77 3k78 h ALA 17 N 1.47 0.96 0.02 0.00 0.00 -1.96 -1.93 119.26 117.83 3k78 h ALA 17 Ca 0.22 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3k78 h ALA 17 Cb 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k78 h ALA 17 CO -0.03 0.65 -0.64 -0.09 0.00 0.00 0.00 179.25 179.14 3k78 h ARG 18 N 0.24 0.39 -0.64 0.00 2.43 -1.88 -3.05 114.38 111.87 3k78 h ARG 18 Ca 0.01 -0.45 -0.06 0.00 -0.81 0.00 0.00 59.98 58.67 3k78 h ARG 18 Cb 0.94 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3k78 h ARG 18 CO 0.08 1.13 0.17 1.25 -1.51 0.00 0.00 179.97 181.08 3k78 h LEU 19 N -0.14 0.93 -1.07 3.80 5.85 -1.47 -2.19 115.31 121.03 3k78 h LEU 19 Ca -0.09 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3k78 h LEU 19 Cb 1.37 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3k78 h LEU 19 CO 0.12 0.89 0.63 0.15 -0.34 0.00 0.00 178.44 179.90 3k78 h PHE 20 N 0.95 1.20 -0.02 1.25 3.57 -1.43 0.28 116.94 122.74 3k78 h PHE 20 Ca 0.21 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 3k78 h PHE 20 Cb 0.32 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 38.66 3k78 h PHE 20 CO 0.02 0.75 -0.35 -0.22 -2.23 0.00 0.00 178.31 176.29 3k78 h LYS 21 N 1.29 0.27 -0.02 1.11 1.63 -1.41 -1.11 116.57 118.33 3k78 h LYS 21 Ca 0.35 -0.27 -0.25 0.00 -0.85 0.00 0.00 60.65 59.64 3k78 h LYS 21 Cb -0.15 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3k78 h LYS 21 CO -0.08 0.96 -0.97 0.00 -3.45 0.00 0.00 179.45 175.91 3k78 h ALA 22 N 0.32 0.24 0.07 5.00 0.00 -1.40 -0.25 119.26 123.25 3k78 h ALA 22 Ca -0.04 -0.69 -0.33 0.00 0.00 0.00 0.00 54.91 53.85 3k78 h ALA 22 Cb 1.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3k78 h ALA 22 CO 0.07 0.73 -1.82 0.34 0.00 0.00 0.00 179.25 178.57 3k78 n PHE 23 N -3.83 1.05 -0.07 0.00 7.35 0.08 -3.32 117.46 118.72 3k78 n PHE 23 Ca -0.09 0.29 -0.19 0.00 -0.76 0.00 0.00 57.45 56.70 3k78 n PHE 23 Cb 0.85 -1.13 -0.13 0.00 0.35 0.00 0.00 39.48 39.42 3k78 n PHE 23 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3k78 n ILE 24 N -3.81 1.62 0.05 -2.13 2.08 -0.74 -3.23 119.36 113.19 3k78 n ILE 24 Ca -0.34 -0.61 -0.20 0.00 0.56 0.00 0.00 62.75 62.16 3k78 n ILE 24 Cb 0.92 -1.54 -0.14 0.00 -0.75 0.00 0.00 39.64 38.13 3k78 n ILE 24 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3k78 h LEU 25 N 0.03 0.46 -3.18 1.39 3.38 -1.05 -3.35 115.31 112.99 3k78 h LEU 25 Ca -0.51 -0.77 -0.04 0.00 0.09 0.00 0.00 57.88 56.64 3k78 h LEU 25 Cb 1.96 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 3k78 h LEU 25 CO -0.01 1.66 -0.08 0.47 0.09 0.00 0.00 178.44 180.58 3k78 n ASP 26 N -3.49 2.85 -0.24 -0.43 8.00 -0.12 -4.68 116.55 118.44 3k78 n ASP 26 Ca -0.24 -3.33 0.04 0.00 0.71 0.00 0.00 54.79 51.98 3k78 n ASP 26 Cb 1.06 -0.53 0.17 0.00 -0.02 0.00 0.00 41.12 41.80 3k78 n ASP 26 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3k78 h GLY 27 N 0.99 1.05 1.08 0.44 0.00 -1.54 0.14 103.07 105.23 3k78 h GLY 27 Ca 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3k78 h GLY 27 CO 0.17 -0.11 0.45 -0.55 0.00 0.00 0.00 176.54 176.51 3k78 h ASP 28 N 0.39 0.61 0.04 0.19 3.32 -1.86 0.82 116.42 119.93 3k78 h ASP 28 Ca 0.39 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 3k78 h ASP 28 Cb 0.60 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3k78 h ASP 28 CO -0.41 0.39 -0.02 0.78 -1.72 0.00 0.00 179.24 178.26 3k78 h ASN 29 N 0.69 -0.05 1.47 6.45 2.35 -1.59 -3.41 115.58 121.49 3k78 h ASN 29 Ca 0.30 -0.54 -0.11 0.00 -0.55 0.00 0.00 56.30 55.40 3k78 h ASN 29 Cb 0.28 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3k78 h ASN 29 CO -0.10 0.69 -0.53 0.25 -1.65 0.00 0.00 177.43 176.09 3k78 h LEU 30 N -0.95 0.00 0.07 1.61 5.85 -0.36 -3.36 115.31 118.17 3k78 h LEU 30 Ca -0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3k78 h LEU 30 Cb 0.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.63 3k78 h LEU 30 CO 0.01 0.53 -0.59 0.58 -0.34 0.00 0.00 178.44 178.63 3k78 h VAL 31 N 0.00 1.53 -0.57 1.05 2.07 -1.07 -1.86 116.25 117.41 3k78 h VAL 31 Ca -0.01 -2.31 0.16 0.00 0.82 0.00 0.00 66.70 65.37 3k78 h VAL 31 Cb 1.41 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 3k78 h VAL 31 CO 0.07 0.65 0.42 -0.65 0.02 0.00 0.00 177.57 178.08 3k78 h PRO 32 N -0.39 0.00 0.08 1.57 0.10 -1.76 0.70 132.00 132.30 3k78 h PRO 32 Ca -0.09 0.00 -0.21 0.00 0.10 0.00 0.00 66.00 65.80 3k78 h PRO 32 Cb 1.39 0.00 0.02 0.00 0.10 0.00 0.00 31.00 32.51 3k78 h PRO 32 CO 0.11 0.00 -0.87 0.87 0.10 0.00 0.00 178.00 178.21 3k78 h LYS 33 N 0.00 0.45 0.00 1.05 1.57 -1.66 -3.28 116.57 114.70 3k78 h LYS 33 Ca 0.27 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3k78 h LYS 33 Cb 1.11 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3k78 h LYS 33 CO -0.00 1.24 -1.29 1.33 -0.57 0.00 0.00 179.45 180.15 3k78 n VAL 34 N -4.05 0.09 -3.15 0.50 0.24 -0.71 -4.64 118.33 106.60 3k78 n VAL 34 Ca -0.12 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.34 61.69 3k78 n VAL 34 Cb 0.82 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 3k78 n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k78 n ALA 35 N -1.87 3.16 0.52 2.33 0.00 0.24 -4.89 120.51 120.00 3k78 n ALA 35 Ca 0.01 -3.98 0.12 0.00 0.00 0.00 0.00 53.44 49.59 3k78 n ALA 35 Cb 0.45 -0.85 0.46 0.00 0.00 0.00 0.00 19.45 19.51 3k78 n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k78 n PRO 36 N 0.43 0.19 -0.02 0.00 -0.04 -1.24 -1.90 135.00 132.43 3k78 n PRO 36 Ca 0.27 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 3k78 n PRO 36 Cb 0.52 -1.80 0.42 0.00 -0.04 0.00 0.00 33.50 32.59 3k78 n PRO 36 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3k78 n GLN 37 N -2.16 1.15 0.00 0.54 6.02 -1.26 -4.17 117.38 117.50 3k78 n GLN 37 Ca 0.04 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 3k78 n GLN 37 Cb 0.30 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.30 3k78 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k78 n ALA 38 N -0.51 1.33 -3.80 -1.58 0.00 -0.96 -4.90 120.51 110.09 3k78 n ALA 38 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 3k78 n ALA 38 Cb 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.39 3k78 n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k78 s ILE 39 N -1.00 0.74 0.17 0.00 -1.09 -0.80 -4.46 121.20 114.76 3k78 s ILE 39 Ca 0.00 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.87 3k78 s ILE 39 Cb 0.00 -1.09 -0.12 0.00 -1.58 0.00 0.00 42.46 39.67 3k78 s ILE 39 CO 0.00 -0.04 1.42 0.77 -1.23 0.00 0.00 174.94 175.86 3k78 h SER 40 N 8.20 0.45 -5.06 3.58 4.64 -1.59 -3.38 113.55 120.39 3k78 h SER 40 Ca -0.19 -0.31 0.16 0.00 -0.47 0.00 0.00 61.79 60.98 3k78 h SER 40 Cb 1.11 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 62.96 3k78 h SER 40 CO 0.35 1.05 0.51 -0.94 -0.87 0.00 0.00 176.83 176.93 3k78 s SER 41 N -6.98 -0.25 -0.03 4.97 1.04 -1.20 -4.92 113.70 106.33 3k78 s SER 41 Ca -0.05 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3k78 s SER 41 Cb 0.10 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3k78 s SER 41 CO 0.84 -0.75 -0.05 -0.69 0.98 0.00 0.00 173.24 173.57 3k78 s VAL 42 N -3.16 0.54 0.15 5.02 1.01 -1.26 -1.50 120.40 121.20 3k78 s VAL 42 Ca 0.09 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3k78 s VAL 42 Cb -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3k78 s VAL 42 CO -0.03 0.21 -0.10 -1.61 0.00 0.00 0.00 175.10 173.57 3k78 s GLU 43 N 0.59 2.08 -0.45 2.72 2.02 0.40 -4.93 118.70 121.13 3k78 s GLU 43 Ca -0.08 -1.17 0.03 0.00 0.02 0.00 0.00 54.97 53.77 3k78 s GLU 43 Cb -0.11 -2.22 0.45 0.00 0.10 0.00 0.00 34.13 32.36 3k78 s GLU 43 CO 0.00 0.46 1.53 -1.71 0.02 0.00 0.00 175.26 175.56 3k78 n ASN 44 N 0.29 6.04 0.00 -0.19 5.15 -1.26 -0.85 115.26 124.44 3k78 n ASN 44 Ca -0.12 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.10 3k78 n ASN 44 Cb 0.54 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 3k78 n ASN 44 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3k78 n ILE 45 N -0.78 0.00 -3.78 -1.44 2.08 -1.18 -4.48 119.36 109.78 3k78 n ILE 45 Ca 0.51 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.79 3k78 n ILE 45 Cb 0.83 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.71 3k78 n ILE 45 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3k78 s GLU 46 N 0.00 1.30 0.00 0.38 4.04 -1.18 -5.01 118.70 118.24 3k78 s GLU 46 Ca 0.00 -0.73 0.00 0.00 0.04 0.00 0.00 54.97 54.28 3k78 s GLU 46 Cb 0.00 0.44 0.00 0.00 0.02 0.00 0.00 34.13 34.59 3k78 s GLU 46 CO 0.00 -0.60 0.00 0.41 -1.84 0.00 0.00 175.26 173.23 3k78 n GLY 47 N -0.48 -2.90 3.34 -3.83 0.00 -1.26 -1.30 105.19 98.76 3k78 n GLY 47 Ca -0.06 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 3k78 n GLY 47 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k78 n ASN 48 N -0.76 5.09 0.00 1.61 0.23 -1.26 -4.76 115.26 115.41 3k78 n ASN 48 Ca 0.00 -2.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.06 3k78 n ASN 48 Cb 0.00 -1.59 0.00 0.00 -2.08 0.00 0.00 39.78 36.11 3k78 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k78 n GLY 49 N 4.06 1.93 0.15 4.83 0.00 -1.26 -4.98 105.19 109.91 3k78 n GLY 49 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k78 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k78 n GLY 50 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -3.39 105.19 100.52 3k78 n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k78 n GLY 50 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k78 n PRO 51 N -0.61 0.00 -0.35 1.61 -0.02 -1.26 -1.51 135.00 132.86 3k78 n PRO 51 Ca 0.00 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3k78 n PRO 51 Cb 0.16 -0.33 0.32 0.00 -0.02 0.00 0.00 33.50 33.63 3k78 n PRO 51 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3k78 h GLY 52 N 0.00 1.69 -3.41 -1.23 0.00 -1.83 -3.24 103.07 95.05 3k78 h GLY 52 Ca 0.00 -0.36 -0.44 0.00 0.00 0.00 0.00 47.33 46.53 3k78 h GLY 52 CO 0.00 -0.01 0.17 2.41 0.00 0.00 0.00 176.54 179.11 3k78 n THR 53 N -4.71 0.00 -4.84 4.70 -1.04 -0.57 -4.19 114.28 103.63 3k78 n THR 53 Ca 0.22 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.90 3k78 n THR 53 Cb 0.54 -0.11 -0.13 0.00 -1.82 0.00 0.00 70.33 68.81 3k78 n THR 53 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3k78 s ILE 54 N 0.67 3.15 0.06 12.58 1.01 -0.42 -0.31 121.20 137.94 3k78 s ILE 54 Ca 0.51 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3k78 s ILE 54 Cb -0.73 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3k78 s ILE 54 CO 0.36 0.58 -0.13 -0.54 0.00 0.00 0.00 174.94 175.21 3k78 s LYS 55 N -0.55 0.78 -0.26 2.79 1.02 -0.27 -3.08 119.74 120.17 3k78 s LYS 55 Ca 0.08 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.16 3k78 s LYS 55 Cb -0.12 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.47 3k78 s LYS 55 CO 0.01 0.17 -0.02 0.15 -0.92 0.00 0.00 175.35 174.74 3k78 s LYS 56 N -1.58 2.98 -0.33 1.68 1.02 -0.03 -1.64 119.74 121.84 3k78 s LYS 56 Ca -0.03 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 3k78 s LYS 56 Cb -0.09 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3k78 s LYS 56 CO 0.02 -0.38 0.92 0.42 -0.92 0.00 0.00 175.35 175.40 3k78 s ILE 57 N 1.39 4.64 -0.16 2.17 -1.09 -0.29 -0.46 121.20 127.41 3k78 s ILE 57 Ca 0.02 1.35 -0.08 0.00 -2.23 0.00 0.00 60.65 59.71 3k78 s ILE 57 Cb -0.16 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 3k78 s ILE 57 CO -0.03 -0.41 0.10 0.20 -1.23 0.00 0.00 174.94 173.58 3k78 s ASN 58 N 1.71 6.01 0.17 3.58 0.01 -0.56 -1.84 114.94 124.02 3k78 s ASN 58 Ca 0.38 0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.82 3k78 s ASN 58 Cb -0.13 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 3k78 s ASN 58 CO 0.15 0.27 0.24 -0.36 -1.51 0.00 0.00 177.10 175.88 3k78 s PHE 59 N -0.17 3.35 0.61 2.20 0.40 -0.54 -2.07 117.98 121.76 3k78 s PHE 59 Ca 0.09 0.05 -0.19 0.00 -0.60 0.00 0.00 56.93 56.28 3k78 s PHE 59 Cb -0.12 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3k78 s PHE 59 CO 0.01 0.51 1.28 -2.30 0.70 0.00 0.00 175.22 175.42 3k78 n PRO 60 N -0.58 1.30 -1.58 0.24 -0.02 -1.26 -4.76 135.00 128.33 3k78 n PRO 60 Ca -0.08 0.49 -0.47 0.00 -2.02 0.00 0.00 63.50 61.43 3k78 n PRO 60 Cb 0.55 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3k78 n PRO 60 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k78 n GLU 61 N -1.47 1.23 0.00 -0.52 1.02 -1.26 -2.04 120.64 117.60 3k78 n GLU 61 Ca 0.14 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3k78 n GLU 61 Cb 0.47 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3k78 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k78 n GLY 62 N 1.75 3.47 3.76 0.62 0.00 -1.26 -5.05 105.19 108.48 3k78 n GLY 62 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3k78 n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k78 s PHE 63 N -2.91 3.15 0.32 1.61 0.40 -0.86 -4.94 117.98 114.75 3k78 s PHE 63 Ca 0.00 1.42 0.07 0.00 -0.60 0.00 0.00 56.93 57.82 3k78 s PHE 63 Cb 0.00 -3.62 0.78 0.00 0.51 0.00 0.00 43.02 40.69 3k78 s PHE 63 CO 0.00 -1.70 1.78 -1.35 0.70 0.00 0.00 175.22 174.65 3k78 h PRO 64 N 3.72 0.70 -5.95 0.24 0.11 -1.97 -3.38 132.00 125.47 3k78 h PRO 64 Ca -0.48 -0.04 -0.68 0.00 0.11 0.00 0.00 66.00 64.91 3k78 h PRO 64 Cb 1.22 -0.16 -0.28 0.00 0.11 0.00 0.00 31.00 31.90 3k78 h PRO 64 CO 0.67 0.46 -0.82 -0.06 -0.21 0.00 0.00 178.00 178.05 3k78 s PHE 65 N -5.81 2.61 0.27 0.65 0.40 -1.26 -5.03 117.98 109.81 3k78 s PHE 65 Ca -0.11 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.75 3k78 s PHE 65 Cb 0.25 -1.67 0.38 0.00 0.51 0.00 0.00 43.02 42.50 3k78 s PHE 65 CO 0.80 -0.09 1.65 0.87 0.70 0.00 0.00 175.22 179.16 3k78 h LYS 66 N 5.99 0.26 -1.67 0.44 1.57 -1.91 -3.42 116.57 117.83 3k78 h LYS 66 Ca -0.35 -0.14 0.27 0.00 -1.87 0.00 0.00 60.65 58.56 3k78 h LYS 66 Cb 1.18 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.36 3k78 h LYS 66 CO 0.50 0.67 0.74 1.52 -0.57 0.00 0.00 179.45 182.32 3k78 s TYR 67 N -4.05 -0.10 0.09 -1.35 -0.85 -1.26 -1.46 117.35 108.37 3k78 s TYR 67 Ca -0.05 -0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 56.48 3k78 s TYR 67 Cb 0.13 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 3k78 s TYR 67 CO 0.78 -0.37 0.00 0.14 -1.52 0.00 0.00 175.55 174.59 3k78 s VAL 68 N -2.62 0.23 -0.18 -3.49 -7.23 -0.76 -3.22 120.40 103.12 3k78 s VAL 68 Ca 0.12 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3k78 s VAL 68 Cb 0.02 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.21 3k78 s VAL 68 CO -0.03 -0.75 -0.17 -0.54 -0.31 0.00 0.00 175.10 173.29 3k78 s LYS 69 N -3.97 2.70 0.11 4.82 1.02 -0.13 -1.14 119.74 123.16 3k78 s LYS 69 Ca 0.15 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.23 3k78 s LYS 69 Cb 0.08 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 3k78 s LYS 69 CO -0.04 -0.26 0.44 -0.51 -0.92 0.00 0.00 175.35 174.06 3k78 s ASP 70 N 1.33 6.67 -0.17 2.83 1.01 -0.65 -1.54 116.67 126.14 3k78 s ASP 70 Ca 0.04 0.85 0.01 0.00 0.71 0.00 0.00 52.55 54.15 3k78 s ASP 70 Cb -0.14 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.61 3k78 s ASP 70 CO -0.12 0.12 -0.20 -0.60 0.21 0.00 0.00 175.17 174.59 3k78 s ARG 71 N -2.07 2.92 0.10 8.23 3.52 0.84 -1.12 118.95 131.37 3k78 s ARG 71 Ca 0.36 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 3k78 s ARG 71 Cb -0.14 -2.50 -0.08 0.00 -1.56 0.00 0.00 34.95 30.67 3k78 s ARG 71 CO 0.19 -0.18 1.49 0.08 -0.81 0.00 0.00 175.30 176.07 3k78 s VAL 72 N 1.24 3.13 -0.21 7.11 1.01 0.58 -1.10 120.40 132.15 3k78 s VAL 72 Ca 0.03 0.74 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 3k78 s VAL 72 Cb -0.13 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3k78 s VAL 72 CO -0.11 0.04 -0.26 0.47 0.00 0.00 0.00 175.10 175.24 3k78 n ASP 73 N 4.46 1.55 -3.60 3.32 8.00 0.58 -3.70 116.55 127.16 3k78 n ASP 73 Ca 0.13 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 3k78 n ASP 73 Cb 0.41 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 3k78 n ASP 73 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3k78 s GLU 74 N -2.38 0.84 -0.05 -1.24 2.02 -0.56 -4.58 118.70 112.76 3k78 s GLU 74 Ca -0.29 0.75 -0.02 0.00 0.02 0.00 0.00 54.97 55.44 3k78 s GLU 74 Cb 0.11 0.41 0.04 0.00 0.10 0.00 0.00 34.13 34.78 3k78 s GLU 74 CO 0.37 -0.15 0.09 0.08 0.02 0.00 0.00 175.26 175.67 3k78 s VAL 75 N -0.05 -0.13 -0.40 2.63 1.01 -1.26 0.40 120.40 122.60 3k78 s VAL 75 Ca -0.02 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3k78 s VAL 75 Cb -0.04 -0.18 0.11 0.00 0.00 0.00 0.00 36.38 36.27 3k78 s VAL 75 CO 0.02 0.14 0.12 -0.62 0.00 0.00 0.00 175.10 174.76 3k78 s ASP 76 N 1.81 4.58 0.00 3.32 -1.08 -0.41 -4.97 116.67 119.93 3k78 s ASP 76 Ca -0.01 -2.44 0.15 0.00 -0.52 0.00 0.00 52.55 49.72 3k78 s ASP 76 Cb -0.12 -1.60 0.72 0.00 -1.46 0.00 0.00 42.92 40.45 3k78 s ASP 76 CO -0.04 -0.33 1.41 1.41 0.52 0.00 0.00 175.17 178.14 3k78 n HIS 77 N 3.87 0.00 -0.04 -5.34 8.25 -1.26 -1.92 115.22 118.78 3k78 n HIS 77 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 3k78 n HIS 77 Cb 0.39 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 3k78 n HIS 77 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3k78 n THR 78 N -1.31 1.68 0.01 1.59 -1.04 -1.26 -4.56 114.28 109.38 3k78 n THR 78 Ca 0.06 -0.39 0.07 0.00 -2.04 0.00 0.00 64.05 61.75 3k78 n THR 78 Cb 0.12 -1.87 0.15 0.00 -1.82 0.00 0.00 70.33 66.91 3k78 n THR 78 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3k78 n ASN 79 N -3.89 2.85 -3.66 8.00 3.02 -1.11 -5.00 115.26 115.47 3k78 n ASN 79 Ca -0.32 -1.88 -0.21 0.00 -0.03 0.00 0.00 54.58 52.15 3k78 n ASN 79 Cb 0.89 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.90 3k78 n ASN 79 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3k78 n PHE 80 N 0.75 -1.96 -5.09 3.10 3.01 -0.81 -4.71 117.46 111.76 3k78 n PHE 80 Ca 0.12 0.86 -0.32 0.00 1.01 0.00 0.00 57.45 59.12 3k78 n PHE 80 Cb 0.43 -4.51 -0.16 0.00 -0.01 0.00 0.00 39.48 35.24 3k78 n PHE 80 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3k78 s LYS 81 N -5.88 2.93 -0.13 -1.08 -2.85 -1.21 -1.51 119.74 110.02 3k78 s LYS 81 Ca 0.01 -0.82 -0.02 0.00 -1.00 0.00 0.00 55.97 54.14 3k78 s LYS 81 Cb -0.00 -2.35 0.04 0.00 -2.06 0.00 0.00 37.83 33.46 3k78 s LYS 81 CO 0.80 0.29 0.02 -0.47 0.10 0.00 0.00 175.35 176.09 3k78 s TYR 82 N 0.08 0.79 -0.19 1.78 5.04 -0.53 -1.28 117.35 123.04 3k78 s TYR 82 Ca -0.09 -0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 54.00 3k78 s TYR 82 Cb -0.15 -0.89 -0.04 0.00 0.35 0.00 0.00 41.96 41.23 3k78 s TYR 82 CO 0.06 -0.46 0.06 -0.80 -1.34 0.00 0.00 175.55 173.07 3k78 s ASN 83 N 1.94 5.53 0.12 4.32 -0.87 0.16 -1.30 114.94 124.85 3k78 s ASN 83 Ca 0.02 0.03 -0.01 0.00 -1.57 0.00 0.00 52.86 51.34 3k78 s ASN 83 Cb -0.15 -1.95 -0.04 0.00 -0.02 0.00 0.00 41.25 39.09 3k78 s ASN 83 CO -0.07 0.15 0.04 -0.72 -2.57 0.00 0.00 177.10 173.93 3k78 s TYR 84 N 0.54 0.84 -0.01 2.20 1.13 -1.05 -0.31 117.35 120.69 3k78 s TYR 84 Ca 0.03 -1.20 0.04 0.00 -1.41 0.00 0.00 57.07 54.54 3k78 s TYR 84 Cb -0.13 -0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 40.24 3k78 s TYR 84 CO 0.01 -0.48 -0.14 -1.12 -2.51 0.00 0.00 175.55 171.31 3k78 s SER 85 N -3.04 1.70 -0.23 -0.18 0.01 -0.26 -0.49 113.70 111.21 3k78 s SER 85 Ca 0.22 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.96 3k78 s SER 85 Cb 0.07 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 3k78 s SER 85 CO 0.00 0.17 0.89 -0.69 0.41 0.00 0.00 173.24 174.02 3k78 s VAL 86 N -0.30 4.80 -0.13 3.43 1.01 0.76 -0.12 120.40 129.86 3k78 s VAL 86 Ca 0.05 1.71 0.08 0.00 0.00 0.00 0.00 61.98 63.81 3k78 s VAL 86 Cb -0.06 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 3k78 s VAL 86 CO -0.00 -0.09 0.22 2.30 0.00 0.00 0.00 175.10 177.53 3k78 n ILE 87 N 5.19 0.00 -3.53 2.22 -5.35 -0.59 -2.11 119.36 115.20 3k78 n ILE 87 Ca 0.07 -0.23 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 3k78 n ILE 87 Cb 0.47 0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 38.86 3k78 n ILE 87 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3k78 s GLU 88 N -2.28 1.08 0.00 6.28 2.12 -1.25 -4.89 118.70 119.76 3k78 s GLU 88 Ca -0.01 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.28 3k78 s GLU 88 Cb 0.05 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.94 3k78 s GLU 88 CO 0.32 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 3k78 n GLY 89 N 0.54 0.90 7.00 -1.50 0.00 -1.26 -0.95 105.19 109.91 3k78 n GLY 89 Ca -0.19 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3k78 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k78 n GLY 90 N 0.90 2.73 0.01 -0.02 0.00 -1.20 -2.12 105.19 105.50 3k78 n GLY 90 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3k78 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k78 n PRO 91 N 13.74 0.02 -0.03 1.61 -0.04 -1.26 -4.27 135.00 144.78 3k78 n PRO 91 Ca 0.00 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 3k78 n PRO 91 Cb 0.00 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 3k78 n PRO 91 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3k78 h VAL 92 N 0.00 0.77 0.00 0.52 2.07 -1.67 0.60 116.25 118.54 3k78 h VAL 92 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3k78 h VAL 92 Cb 0.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3k78 h VAL 92 CO 0.00 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.45 3k78 h GLY 93 N -0.03 0.00 0.00 2.17 0.00 -1.74 -2.90 103.07 100.56 3k78 h GLY 93 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.21 3k78 h GLY 93 CO -0.20 0.00 -1.63 1.22 0.00 0.00 0.00 176.54 175.92 3k78 n ASP 94 N -3.48 1.93 -0.44 0.19 8.00 -0.99 -4.74 116.55 117.02 3k78 n ASP 94 Ca 0.00 0.37 0.05 0.00 0.71 0.00 0.00 54.79 55.92 3k78 n ASP 94 Cb 0.53 -0.81 0.08 0.00 -0.02 0.00 0.00 41.12 40.90 3k78 n ASP 94 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3k78 n THR 95 N -4.38 0.45 -4.14 -3.53 -2.24 0.14 -4.89 114.28 95.68 3k78 n THR 95 Ca -0.32 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.62 3k78 n THR 95 Cb 0.67 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 3k78 n THR 95 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k78 s LEU 96 N -0.87 2.42 -0.22 3.22 1.43 -0.82 -2.97 118.68 120.86 3k78 s LEU 96 Ca 0.15 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3k78 s LEU 96 Cb 0.09 -0.14 -0.18 0.00 0.03 0.00 0.00 46.19 45.98 3k78 s LEU 96 CO 0.12 -0.36 -0.06 -0.62 0.23 0.00 0.00 176.35 175.67 3k78 n GLU 97 N 0.47 0.65 -3.52 1.70 1.02 0.15 -3.84 120.64 117.28 3k78 n GLU 97 Ca -0.16 0.26 -0.08 0.00 -0.02 0.00 0.00 57.16 57.17 3k78 n GLU 97 Cb 0.59 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 3k78 n GLU 97 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k78 s LYS 98 N -2.51 0.73 -0.16 3.49 1.02 -1.18 -4.86 119.74 116.28 3k78 s LYS 98 Ca -0.32 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.42 3k78 s LYS 98 Cb 0.09 0.34 0.02 0.00 -0.52 0.00 0.00 37.83 37.76 3k78 s LYS 98 CO 0.61 -0.32 -0.16 0.42 -0.92 0.00 0.00 175.35 174.99 3k78 s ILE 99 N -2.92 1.69 -0.29 2.17 1.01 -0.89 -0.41 121.20 121.56 3k78 s ILE 99 Ca 0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3k78 s ILE 99 Cb -0.01 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 3k78 s ILE 99 CO -0.08 0.48 0.09 -0.44 0.00 0.00 0.00 174.94 174.99 3k78 s SER 100 N 1.44 5.20 0.17 3.58 0.01 -0.34 -0.17 113.70 123.58 3k78 s SER 100 Ca 0.05 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.80 3k78 s SER 100 Cb -0.13 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 3k78 s SER 100 CO -0.11 -0.16 0.00 0.20 0.41 0.00 0.00 173.24 173.58 3k78 s ASN 101 N 1.54 4.81 0.01 2.44 0.01 0.35 -1.08 114.94 123.02 3k78 s ASN 101 Ca 0.04 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3k78 s ASN 101 Cb -0.17 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.44 3k78 s ASN 101 CO 0.03 0.10 -0.08 -0.70 -1.51 0.00 0.00 177.10 174.94 3k78 s GLU 102 N -2.88 0.61 -0.12 -0.60 2.12 0.39 -2.52 118.70 115.70 3k78 s GLU 102 Ca 0.27 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3k78 s GLU 102 Cb -0.10 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.74 3k78 s GLU 102 CO 0.19 0.14 -0.22 0.42 -0.54 0.00 0.00 175.26 175.25 3k78 s ILE 103 N -0.50 2.16 -0.28 -3.70 1.01 -0.42 -1.23 121.20 118.25 3k78 s ILE 103 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3k78 s ILE 103 Cb -0.05 -1.84 0.08 0.00 0.01 0.00 0.00 42.46 40.66 3k78 s ILE 103 CO 0.00 0.55 -0.01 -0.75 0.00 0.00 0.00 174.94 174.73 3k78 s LYS 104 N 0.52 1.52 0.09 2.79 2.20 0.31 -1.45 119.74 125.73 3k78 s LYS 104 Ca -0.14 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 53.94 3k78 s LYS 104 Cb -0.17 -2.70 -0.07 0.00 -1.51 0.00 0.00 37.83 33.39 3k78 s LYS 104 CO 0.05 -0.75 0.76 0.42 -0.36 0.00 0.00 175.35 175.47 3k78 s ILE 105 N 1.26 4.59 0.00 5.43 1.01 -0.57 -0.80 121.20 132.12 3k78 s ILE 105 Ca 0.01 1.64 0.04 0.00 0.00 0.00 0.00 60.65 62.33 3k78 s ILE 105 Cb -0.19 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.16 3k78 s ILE 105 CO -0.10 0.44 -0.12 0.68 0.00 0.00 0.00 174.94 175.84 3k78 s VAL 106 N -0.55 0.95 0.33 2.92 -7.23 0.20 -4.74 120.40 112.28 3k78 s VAL 106 Ca 0.37 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 3k78 s VAL 106 Cb -0.21 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 3k78 s VAL 106 CO 0.24 0.19 0.94 0.00 -0.31 0.00 0.00 175.10 176.16 3k78 s ALA 107 N -0.42 3.20 0.17 1.32 0.00 -1.26 -0.77 121.76 123.99 3k78 s ALA 107 Ca 0.04 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3k78 s ALA 107 Cb -0.05 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3k78 s ALA 107 CO -0.00 0.18 0.18 0.95 0.00 0.00 0.00 175.76 177.06 3k78 s THR 108 N -1.65 4.69 0.25 0.00 -4.23 -0.94 -4.88 115.64 108.90 3k78 s THR 108 Ca 0.51 -1.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.37 3k78 s THR 108 Cb -0.18 -3.41 0.37 0.00 1.34 0.00 0.00 72.50 70.62 3k78 s THR 108 CO 0.23 -0.12 2.08 -0.65 -0.54 0.00 0.00 174.62 175.63 3k78 h PRO 109 N 2.29 0.00 -0.29 3.99 0.11 -1.98 -1.87 132.00 134.25 3k78 h PRO 109 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3k78 h PRO 109 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k78 h PRO 109 CO 0.64 0.00 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.79 3k78 h ASP 110 N 0.00 0.54 0.00 -2.05 3.32 -2.01 -3.46 116.42 112.76 3k78 h ASP 110 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3k78 h ASP 110 Cb 0.16 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3k78 h ASP 110 CO 0.00 0.75 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 3k78 n GLY 111 N -0.42 1.05 0.00 2.75 0.00 -0.70 -5.12 105.19 102.74 3k78 n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k78 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k78 n GLY 112 N -0.48 1.64 3.67 -0.02 0.00 -1.26 -2.35 105.19 106.39 3k78 n GLY 112 Ca 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 3k78 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k78 s VAL 114 N -3.74 1.23 -0.25 0.00 1.01 0.05 -0.77 120.40 117.94 3k78 s VAL 114 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3k78 s VAL 114 Cb -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3k78 s VAL 114 CO -0.02 0.38 0.26 -0.76 0.00 0.00 0.00 175.10 174.96 3k78 s LEU 115 N 0.62 4.09 -0.30 3.92 1.02 0.91 -0.63 118.68 128.31 3k78 s LEU 115 Ca -0.15 0.20 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 3k78 s LEU 115 Cb -0.16 -2.25 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 3k78 s LEU 115 CO 0.04 -0.03 0.18 -0.54 0.02 0.00 0.00 176.35 176.01 3k78 s LYS 116 N 1.44 3.58 -0.19 1.70 1.02 0.02 -2.01 119.74 125.30 3k78 s LYS 116 Ca 0.11 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.49 3k78 s LYS 116 Cb -0.15 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3k78 s LYS 116 CO 0.08 -0.33 -0.01 0.42 -0.92 0.00 0.00 175.35 174.58 3k78 s ILE 117 N 1.68 3.93 -0.15 2.17 1.01 -0.61 -0.53 121.20 128.70 3k78 s ILE 117 Ca 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3k78 s ILE 117 Cb -0.17 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3k78 s ILE 117 CO 0.08 0.44 -0.17 -0.55 0.00 0.00 0.00 174.94 174.74 3k78 s SER 118 N 0.88 3.50 -0.10 3.58 0.15 -0.36 -1.76 113.70 119.58 3k78 s SER 118 Ca 0.01 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.17 3k78 s SER 118 Cb -0.14 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 3k78 s SER 118 CO 0.02 0.08 -0.21 0.20 1.20 0.00 0.00 173.24 174.52 3k78 s ASN 119 N 0.86 2.88 -0.06 5.45 0.02 -0.10 -0.46 114.94 123.53 3k78 s ASN 119 Ca -0.05 -0.53 0.04 0.00 -1.02 0.00 0.00 52.86 51.30 3k78 s ASN 119 Cb -0.15 -1.32 -0.02 0.00 0.02 0.00 0.00 41.25 39.78 3k78 s ASN 119 CO -0.01 0.12 -0.17 -0.54 0.02 0.00 0.00 177.10 176.52 3k78 s LYS 120 N 0.53 2.62 -0.17 -0.60 1.02 -0.24 -1.21 119.74 121.68 3k78 s LYS 120 Ca -0.15 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3k78 s LYS 120 Cb -0.17 -2.36 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3k78 s LYS 120 CO 0.05 0.52 -0.13 0.71 -0.92 0.00 0.00 175.35 175.58 3k78 s TYR 121 N -0.46 2.83 -0.35 3.18 1.51 0.18 -1.19 117.35 123.05 3k78 s TYR 121 Ca 0.05 -1.03 -0.14 0.00 -1.01 0.00 0.00 57.07 54.94 3k78 s TYR 121 Cb -0.12 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3k78 s TYR 121 CO 0.02 -0.49 0.32 -1.01 -1.11 0.00 0.00 175.55 173.27 3k78 s HIS 122 N 0.96 3.22 0.41 2.71 3.76 0.45 -0.26 115.29 126.54 3k78 s HIS 122 Ca -0.02 -0.12 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 3k78 s HIS 122 Cb -0.15 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3k78 s HIS 122 CO -0.02 -0.42 0.66 0.95 -0.85 0.00 0.00 174.74 175.06 3k78 s THR 123 N 1.90 4.94 0.56 1.30 -4.23 -1.26 0.31 115.64 119.16 3k78 s THR 123 Ca 0.09 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 3k78 s THR 123 Cb -0.17 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.83 3k78 s THR 123 CO 0.11 -0.67 0.87 -0.54 -0.54 0.00 0.00 174.62 173.85 3k78 s LYS 124 N -4.52 3.09 0.00 3.99 1.02 -1.16 -4.52 119.74 117.65 3k78 s LYS 124 Ca 0.44 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.47 3k78 s LYS 124 Cb -0.10 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 3k78 s LYS 124 CO 0.40 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3k78 n GLY 125 N -2.49 0.17 2.03 -3.33 0.00 -1.26 -2.41 105.19 97.90 3k78 n GLY 125 Ca 0.03 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3k78 n GLY 125 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k78 n ASN 126 N 0.25 5.06 -4.72 1.61 0.23 -1.26 -5.05 115.26 111.38 3k78 n ASN 126 Ca 0.00 -3.75 -0.42 0.00 -0.53 0.00 0.00 54.58 49.88 3k78 n ASN 126 Cb 0.00 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.30 3k78 n ASN 126 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3k78 s HIS 127 N -3.61 3.50 0.00 -2.53 2.46 -1.01 -5.05 115.29 109.05 3k78 s HIS 127 Ca 0.52 1.42 0.00 0.00 0.47 0.00 0.00 55.06 57.47 3k78 s HIS 127 Cb 0.41 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.52 3k78 s HIS 127 CO 0.04 -0.96 0.00 0.39 -2.47 0.00 0.00 174.74 171.74 3k78 n GLU 128 N 3.58 2.95 0.00 2.88 1.02 -1.26 -4.77 120.64 125.04 3k78 n GLU 128 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3k78 n GLU 128 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 3k78 n GLU 128 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3k78 n VAL 129 N 0.00 0.00 -2.27 2.62 0.24 -1.26 -4.93 118.33 112.73 3k78 n VAL 129 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 3k78 n VAL 129 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 3k78 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3k78 s LYS 130 N 0.00 3.90 0.51 7.34 1.02 -1.26 -4.93 119.74 126.32 3k78 s LYS 130 Ca 0.00 1.81 0.23 0.00 0.02 0.00 0.00 55.97 58.03 3k78 s LYS 130 Cb 0.00 -2.53 1.34 0.00 -0.52 0.00 0.00 37.83 36.12 3k78 s LYS 130 CO 0.00 -0.45 1.99 0.00 -0.92 0.00 0.00 175.35 175.98 3k78 h ALA 131 N 2.32 2.43 -0.38 5.17 0.00 -2.01 0.11 119.26 126.90 3k78 h ALA 131 Ca -0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3k78 h ALA 131 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3k78 h ALA 131 CO 0.61 -0.58 0.02 0.93 0.00 0.00 0.00 179.25 180.24 3k78 h GLU 132 N 0.06 0.58 -0.33 0.00 5.08 -1.95 -2.85 114.58 115.18 3k78 h GLU 132 Ca 0.26 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3k78 h GLU 132 Cb 0.95 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3k78 h GLU 132 CO -0.02 0.59 -0.32 1.96 -1.00 0.00 0.00 179.01 180.23 3k78 h GLN 133 N 0.56 0.72 0.00 2.33 4.20 -1.15 -3.20 115.11 118.57 3k78 h GLN 133 Ca 0.12 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3k78 h GLN 133 Cb 0.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3k78 h GLN 133 CO 0.01 0.94 0.00 1.33 -0.67 0.00 0.00 178.83 180.44 3k78 n VAL 134 N -4.07 1.14 -2.40 -0.54 0.24 -1.08 -4.00 118.33 107.62 3k78 n VAL 134 Ca -0.01 0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 62.25 3k78 n VAL 134 Cb 0.48 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 3k78 n VAL 134 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3k78 n LYS 135 N -1.90 3.29 0.00 7.34 2.85 -1.19 -2.46 118.16 126.10 3k78 n LYS 135 Ca 0.01 -3.34 0.00 0.00 -1.05 0.00 0.00 58.31 53.93 3k78 n LYS 135 Cb 0.13 -3.16 0.00 0.00 -0.65 0.00 0.00 35.03 31.35 3k78 n LYS 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3k78 n ALA 136 N 5.76 0.00 -0.29 0.58 0.00 -1.26 -4.95 120.51 120.35 3k78 n ALA 136 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.86 3k78 n ALA 136 Cb 0.40 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.96 3k78 n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k78 h SER 137 N 0.00 0.83 -0.33 0.00 4.64 -1.73 -0.45 113.55 116.52 3k78 h SER 137 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3k78 h SER 137 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3k78 h SER 137 CO 0.00 0.56 -0.06 0.50 -0.87 0.00 0.00 176.83 176.96 3k78 h LYS 138 N 0.98 0.62 -0.95 4.77 3.64 -1.89 -1.76 116.57 121.97 3k78 h LYS 138 Ca 0.33 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3k78 h LYS 138 Cb 0.06 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3k78 h LYS 138 CO -0.13 0.79 0.62 0.93 -2.27 0.00 0.00 179.45 179.39 3k78 h GLU 139 N 0.41 1.26 0.14 1.90 5.08 -1.83 0.15 114.58 121.68 3k78 h GLU 139 Ca 0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3k78 h GLU 139 Cb 0.54 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3k78 h GLU 139 CO 0.03 0.84 -0.07 1.98 -1.00 0.00 0.00 179.01 180.79 3k78 h MET 140 N 1.29 -0.18 -0.37 2.33 4.05 -1.07 -1.49 114.93 119.49 3k78 h MET 140 Ca 0.35 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.82 3k78 h MET 140 Cb -0.14 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 3k78 h MET 140 CO -0.07 0.15 0.14 0.78 0.23 0.00 0.00 176.91 178.13 3k78 h GLY 141 N -0.52 0.47 0.25 1.39 0.00 -1.14 0.20 103.07 103.73 3k78 h GLY 141 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.31 3k78 h GLY 141 CO 0.03 0.04 -0.01 0.83 0.00 0.00 0.00 176.54 177.43 3k78 h GLU 142 N 0.30 0.10 -0.44 4.80 4.39 -0.71 -1.44 114.58 121.58 3k78 h GLU 142 Ca 0.17 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3k78 h GLU 142 Cb 0.13 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3k78 h GLU 142 CO -0.16 0.07 0.26 1.15 -1.16 0.00 0.00 179.01 179.17 3k78 h THR 143 N 0.11 1.15 -0.23 1.13 2.02 -0.54 -1.07 112.91 115.46 3k78 h THR 143 Ca 0.23 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3k78 h THR 143 Cb 0.33 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3k78 h THR 143 CO -0.38 0.15 -0.14 -0.07 0.37 0.00 0.00 175.52 175.45 3k78 h LEU 144 N 0.58 0.37 -0.20 2.58 3.38 -0.75 -2.40 115.31 118.87 3k78 h LEU 144 Ca 0.16 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3k78 h LEU 144 Cb 0.01 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3k78 h LEU 144 CO -0.03 0.54 -0.61 0.25 0.09 0.00 0.00 178.44 178.68 3k78 h LEU 145 N 0.36 0.89 -0.60 1.67 5.85 -0.73 -2.78 115.31 119.96 3k78 h LEU 145 Ca 0.07 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3k78 h LEU 145 Cb 0.46 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3k78 h LEU 145 CO 0.03 1.32 0.18 0.03 -0.34 0.00 0.00 178.44 179.65 3k78 h ARG 146 N 0.51 0.95 -0.14 1.25 2.47 -1.01 0.55 114.38 118.96 3k78 h ARG 146 Ca -0.02 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 3k78 h ARG 146 Cb 1.23 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 3k78 h ARG 146 CO 0.13 0.85 0.06 0.00 0.56 0.00 0.00 179.97 181.57 3k78 h ALA 147 N 1.05 0.18 -0.50 0.04 0.00 -1.45 0.11 119.26 118.70 3k78 h ALA 147 Ca 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3k78 h ALA 147 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k78 h ALA 147 CO -0.00 -0.23 -0.04 0.28 0.00 0.00 0.00 179.25 179.26 3k78 h VAL 148 N 0.07 1.26 -0.43 0.00 2.07 -1.37 -2.46 116.25 115.40 3k78 h VAL 148 Ca 0.05 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 3k78 h VAL 148 Cb 0.17 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3k78 h VAL 148 CO -0.00 0.39 -0.09 -0.08 0.02 0.00 0.00 177.57 177.81 3k78 h GLU 149 N 0.80 0.76 -0.53 1.57 4.81 -0.61 -1.87 114.58 119.51 3k78 h GLU 149 Ca 0.15 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3k78 h GLU 149 Cb 0.53 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3k78 h GLU 149 CO 0.03 0.82 0.06 1.03 -0.73 0.00 0.00 179.01 180.22 3k78 h SER 150 N 0.69 0.86 -0.36 1.04 0.87 -0.79 -2.62 113.55 113.24 3k78 h SER 150 Ca 0.12 -0.27 -0.12 0.00 -1.23 0.00 0.00 61.79 60.29 3k78 h SER 150 Cb 0.55 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3k78 h SER 150 CO 0.03 0.92 -0.22 0.22 -0.53 0.00 0.00 176.83 177.25 3k78 h TYR 151 N 0.77 0.98 0.00 2.24 3.20 -1.22 -2.65 116.97 120.28 3k78 h TYR 151 Ca 0.16 -0.23 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 3k78 h TYR 151 Cb 0.44 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3k78 h TYR 151 CO 0.03 0.99 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.96 3k78 h LEU 152 N 0.74 0.00 -0.40 2.82 3.38 -1.32 -0.97 115.31 119.56 3k78 h LEU 152 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3k78 h LEU 152 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3k78 h LEU 152 CO 0.06 0.52 -0.36 -0.07 0.09 0.00 0.00 178.44 178.68 3k78 h LEU 153 N 0.00 1.02 -0.51 1.67 3.38 -1.37 -3.22 115.31 116.27 3k78 h LEU 153 Ca -0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3k78 h LEU 153 Cb 0.97 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3k78 h LEU 153 CO 0.07 1.26 0.00 0.00 0.09 0.00 0.00 178.44 179.86 3k78 h ALA 154 N 0.79 1.00 -0.43 1.53 0.00 -1.23 -3.35 119.26 117.56 3k78 h ALA 154 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k78 h ALA 154 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3k78 h ALA 154 CO 0.09 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.06 3k78 n HIS 155 N -2.72 0.58 0.00 0.00 8.25 -0.39 -5.00 115.22 115.94 3k78 n HIS 155 Ca 0.03 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 3k78 n HIS 155 Cb 0.39 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3k78 n HIS 155 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3k78 n SER 156 N 0.76 0.00 0.14 0.41 3.41 -1.23 -3.14 113.62 113.96 3k78 n SER 156 Ca 0.14 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.88 3k78 n SER 156 Cb 0.47 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.84 3k78 n SER 156 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3k78 h ASP 157 N 0.00 0.00 -0.00 4.04 3.32 -1.94 -3.50 116.42 118.33 3k78 h ASP 157 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k78 h ASP 157 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k78 h ASP 157 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52