#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yr0 s VAL 5 N 0.00 1.60 -0.07 2.46 1.01 -1.26 -4.56 120.40 119.57 1yr0 s VAL 5 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1yr0 s VAL 5 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1yr0 s VAL 5 CO 0.00 0.45 -0.16 -0.70 0.00 0.00 0.00 175.10 174.69 1yr0 s GLU 6 N -0.21 2.10 -0.10 2.72 2.12 -0.75 -4.93 118.70 119.65 1yr0 s GLU 6 Ca 0.01 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 1yr0 s GLU 6 Cb -0.10 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1yr0 s GLU 6 CO 0.01 0.11 0.10 -0.51 -0.54 0.00 0.00 175.26 174.42 1yr0 s LEU 7 N 0.47 4.11 0.28 2.70 1.02 -1.26 0.50 118.68 126.50 1yr0 s LEU 7 Ca -0.14 0.34 -0.19 0.00 0.02 0.00 0.00 54.13 54.16 1yr0 s LEU 7 Cb -0.16 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.04 1yr0 s LEU 7 CO 0.05 0.38 0.68 0.00 0.02 0.00 0.00 176.35 177.49 1yr0 s ARG 8 N -1.08 1.77 0.41 1.70 1.70 -0.76 -5.00 118.95 117.71 1yr0 s ARG 8 Ca 0.16 -1.06 -0.25 0.00 -0.47 0.00 0.00 55.73 54.11 1yr0 s ARG 8 Cb -0.12 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.77 1yr0 s ARG 8 CO 0.05 -0.80 1.21 -0.51 -1.08 0.00 0.00 175.30 174.17 1yr0 s ASP 9 N -2.95 6.36 0.58 -2.89 1.01 -1.26 -1.35 116.67 116.18 1yr0 s ASP 9 Ca 0.13 2.45 -0.09 0.00 0.71 0.00 0.00 52.55 55.75 1yr0 s ASP 9 Cb -0.05 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1yr0 s ASP 9 CO 0.08 -0.79 0.96 0.00 0.21 0.00 0.00 175.17 175.62 1yr0 s ALA 10 N -1.38 3.19 0.35 5.23 0.00 -0.17 -4.75 121.76 124.23 1yr0 s ALA 10 Ca 0.58 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1yr0 s ALA 10 Cb -0.33 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1yr0 s ALA 10 CO 0.41 -0.60 0.10 0.95 0.00 0.00 0.00 175.76 176.63 1yr0 s THR 11 N -3.05 0.77 0.54 0.00 -4.23 -1.26 -4.97 115.64 103.44 1yr0 s THR 11 Ca 0.53 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.25 1yr0 s THR 11 Cb -0.11 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.49 1yr0 s THR 11 CO 0.51 0.00 2.15 0.58 -0.54 0.00 0.00 174.62 177.32 1yr0 h VAL 12 N 2.01 0.83 0.00 2.29 2.07 -2.01 -1.25 116.25 120.19 1yr0 h VAL 12 Ca -0.37 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1yr0 h VAL 12 Cb 1.26 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1yr0 h VAL 12 CO 0.61 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 178.58 1yr0 h ASP 13 N 0.00 0.00 0.46 0.57 3.32 -2.02 -2.08 116.42 116.66 1yr0 h ASP 13 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1yr0 h ASP 13 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1yr0 h ASP 13 CO -0.00 0.06 -0.27 0.47 -1.72 0.00 0.00 179.24 177.78 1yr0 n ASP 14 N -3.39 0.57 -0.29 6.45 8.00 -0.47 -4.38 116.55 123.04 1yr0 n ASP 14 Ca -0.02 -0.41 0.07 0.00 0.71 0.00 0.00 54.79 55.15 1yr0 n ASP 14 Cb 0.21 0.04 0.30 0.00 -0.02 0.00 0.00 41.12 41.65 1yr0 n ASP 14 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1yr0 h LEU 15 N 0.47 0.80 -1.20 0.64 3.38 -1.44 -1.52 115.31 116.44 1yr0 h LEU 15 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1yr0 h LEU 15 Cb 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1yr0 h LEU 15 CO 0.00 0.47 0.01 0.77 0.09 0.00 0.00 178.44 179.78 1yr0 h SER 16 N 0.89 0.53 0.84 -0.43 4.64 -1.81 -2.21 113.55 116.00 1yr0 h SER 16 Ca 0.42 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.47 1yr0 h SER 16 Cb 0.43 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1yr0 h SER 16 CO -0.18 0.59 -0.79 1.23 -0.87 0.00 0.00 176.83 176.81 1yr0 h GLY 17 N 0.85 0.00 -1.95 -0.77 0.00 -1.65 -2.50 103.07 97.05 1yr0 h GLY 17 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1yr0 h GLY 17 CO 0.01 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.94 1yr0 n ILE 18 N -3.56 0.66 0.00 2.60 5.41 -0.65 -2.99 119.36 120.83 1yr0 n ILE 18 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1yr0 n ILE 18 Cb 0.77 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 1yr0 n ILE 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1yr0 n GLU 20 N 0.63 0.00 -0.16 0.38 2.13 -0.94 -0.70 120.64 121.98 1yr0 n GLU 20 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1yr0 n GLU 20 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1yr0 n GLU 20 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1yr0 h ILE 21 N 0.00 1.22 0.25 6.31 2.04 -1.83 -1.13 117.51 124.37 1yr0 h ILE 21 Ca 0.00 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1yr0 h ILE 21 Cb 0.00 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1yr0 h ILE 21 CO 0.00 0.27 -0.12 0.22 0.00 0.00 0.00 178.15 178.52 1yr0 h TYR 22 N 0.61 -0.31 0.00 1.37 3.20 -1.21 -2.12 116.97 118.51 1yr0 h TYR 22 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1yr0 h TYR 22 Cb 0.27 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 1yr0 h TYR 22 CO 0.01 -0.15 -0.11 -0.91 -1.64 0.00 0.00 178.16 175.37 1yr0 h ASN 23 N -0.39 0.00 -0.47 -2.11 2.35 -1.79 -0.84 115.58 112.33 1yr0 h ASN 23 Ca -0.03 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 1yr0 h ASN 23 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1yr0 h ASN 23 CO 0.06 0.11 -0.13 0.44 -1.65 0.00 0.00 177.43 176.26 1yr0 h ASP 24 N 0.00 0.93 -0.06 5.81 3.32 -0.89 -2.15 116.42 123.39 1yr0 h ASP 24 Ca -0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 1yr0 h ASP 24 Cb 0.20 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1yr0 h ASP 24 CO 0.01 1.08 -0.29 0.00 -1.72 0.00 0.00 179.24 178.33 1yr0 h ALA 25 N 0.88 1.03 -0.81 3.45 0.00 -0.64 0.17 119.26 123.33 1yr0 h ALA 25 Ca 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1yr0 h ALA 25 Cb 0.68 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1yr0 h ALA 25 CO 0.05 0.58 0.43 0.28 0.00 0.00 0.00 179.25 180.60 1yr0 h VAL 26 N 0.44 1.24 0.14 0.00 2.07 -0.96 -2.50 116.25 116.69 1yr0 h VAL 26 Ca 0.06 -0.62 -0.34 0.00 0.82 0.00 0.00 66.70 66.61 1yr0 h VAL 26 Cb 0.73 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1yr0 h VAL 26 CO 0.06 0.28 -1.79 0.58 0.02 0.00 0.00 177.57 176.72 1yr0 h VAL 27 N 1.14 0.87 -0.18 2.57 2.07 -1.09 -3.42 116.25 118.22 1yr0 h VAL 27 Ca 0.29 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1yr0 h VAL 27 Cb 0.05 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1yr0 h VAL 27 CO -0.04 0.84 0.00 0.59 0.02 0.00 0.00 177.57 178.98 1yr0 n ASN 28 N -3.50 2.83 -3.41 0.57 3.02 0.57 -5.05 115.26 110.29 1yr0 n ASN 28 Ca -0.25 -2.45 -0.15 0.00 -0.03 0.00 0.00 54.58 51.70 1yr0 n ASN 28 Cb 1.06 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.88 1yr0 n ASN 28 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1yr0 s THR 29 N -1.80 0.00 -1.35 3.41 -4.23 -0.94 -4.98 115.64 105.75 1yr0 s THR 29 Ca 0.24 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1yr0 s THR 29 Cb 0.17 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.76 1yr0 s THR 29 CO 0.08 0.00 1.21 0.35 -0.54 0.00 0.00 174.62 175.72 1yr0 n THR 30 N -0.54 0.71 0.04 3.99 -2.24 -1.26 -4.51 114.28 110.46 1yr0 n THR 30 Ca 0.03 -0.85 -0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1yr0 n THR 30 Cb 0.62 0.73 0.30 0.00 -2.10 0.00 0.00 70.33 69.89 1yr0 n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yr0 h ALA 31 N 2.63 1.34 -3.16 6.98 0.00 -1.96 -3.40 119.26 121.70 1yr0 h ALA 31 Ca 0.00 -0.24 -0.67 0.00 0.00 0.00 0.00 54.91 54.01 1yr0 h ALA 31 Cb 0.73 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 18.09 1yr0 h ALA 31 CO 0.00 0.44 -0.81 0.42 0.00 0.00 0.00 179.25 179.31 1yr0 s ILE 32 N -4.79 2.63 -1.28 0.00 1.01 -1.26 -4.98 121.20 112.53 1yr0 s ILE 32 Ca -0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1yr0 s ILE 32 Cb 0.15 -2.12 0.16 0.00 0.01 0.00 0.00 42.46 40.67 1yr0 s ILE 32 CO 0.76 0.51 2.07 0.79 0.00 0.00 0.00 174.94 179.07 1yr0 n TRP 33 N 4.19 2.73 -3.53 3.97 7.02 -1.26 -4.80 117.44 125.76 1yr0 n TRP 33 Ca -0.19 -2.78 -0.18 0.00 -1.02 0.00 0.00 57.50 53.33 1yr0 n TRP 33 Cb 0.51 -1.83 -0.06 0.00 -2.42 0.00 0.00 31.31 27.52 1yr0 n TRP 33 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1yr0 s ASN 34 N 0.39 -0.65 -0.07 -0.99 3.84 -1.26 -5.03 114.94 111.17 1yr0 s ASN 34 Ca 0.45 0.71 0.10 0.00 0.21 0.00 0.00 52.86 54.33 1yr0 s ASN 34 Cb 0.13 0.54 0.18 0.00 -0.55 0.00 0.00 41.25 41.55 1yr0 s ASN 34 CO -0.03 -0.60 1.10 -0.62 -2.79 0.00 0.00 177.10 174.16 1yr0 n GLU 35 N 0.93 2.17 -3.83 0.43 1.02 -1.26 -4.72 120.64 115.37 1yr0 n GLU 35 Ca -0.19 -2.10 -0.36 0.00 -0.02 0.00 0.00 57.16 54.48 1yr0 n GLU 35 Cb 0.57 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.57 1yr0 n GLU 35 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1yr0 s VAL 36 N -1.99 3.55 0.48 2.62 1.01 -1.26 -4.95 120.40 119.86 1yr0 s VAL 36 Ca 0.18 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1yr0 s VAL 36 Cb 0.16 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1yr0 s VAL 36 CO 0.03 0.09 1.18 0.68 0.00 0.00 0.00 175.10 177.07 1yr0 s VAL 37 N 1.42 3.01 0.33 2.92 -7.23 -1.26 -5.03 120.40 114.55 1yr0 s VAL 37 Ca 0.01 0.74 0.07 0.00 -1.81 0.00 0.00 61.98 61.00 1yr0 s VAL 37 Cb -0.17 -3.37 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1yr0 s VAL 37 CO 0.00 -0.02 0.27 0.68 -0.31 0.00 0.00 175.10 175.72 1yr0 s VAL 38 N -1.54 3.62 0.48 1.32 -7.23 -1.26 -5.14 120.40 110.65 1yr0 s VAL 38 Ca 0.65 -1.39 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 1yr0 s VAL 38 Cb -0.29 -3.20 0.02 0.00 0.56 0.00 0.00 36.38 33.47 1yr0 s VAL 38 CO 0.35 -0.20 0.53 1.51 -0.31 0.00 0.00 175.10 176.98 1yr0 s ASP 39 N -3.97 5.10 0.24 4.85 1.47 -1.26 -4.98 116.67 118.13 1yr0 s ASP 39 Ca 0.40 -0.81 -0.04 0.00 1.18 0.00 0.00 52.55 53.28 1yr0 s ASP 39 Cb -0.06 -0.17 0.42 0.00 -0.34 0.00 0.00 42.92 42.77 1yr0 s ASP 39 CO 0.26 -0.94 1.78 0.25 0.68 0.00 0.00 175.17 177.20 1yr0 h LEU 40 N 0.68 0.55 -1.37 2.11 5.85 -1.99 -0.68 115.31 120.47 1yr0 h LEU 40 Ca -0.37 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1yr0 h LEU 40 Cb 1.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1yr0 h LEU 40 CO 0.51 0.29 0.46 -0.08 -0.34 0.00 0.00 178.44 179.27 1yr0 h GLU 41 N 0.67 0.79 -0.31 1.25 4.81 -1.98 0.21 114.58 120.02 1yr0 h GLU 41 Ca 0.40 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1yr0 h GLU 41 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1yr0 h GLU 41 CO -0.29 0.52 -0.09 -0.97 -0.73 0.00 0.00 179.01 177.45 1yr0 h ASN 42 N 0.82 0.62 0.64 1.04 -0.73 -1.53 -2.08 115.58 114.36 1yr0 h ASN 42 Ca 0.28 -0.37 -0.08 0.00 1.87 0.00 0.00 56.30 58.00 1yr0 h ASN 42 Cb 0.09 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1yr0 h ASN 42 CO -0.08 0.86 -0.36 0.03 -0.37 0.00 0.00 177.43 177.51 1yr0 h ARG 43 N 0.39 0.00 -0.46 6.67 2.47 -0.69 -1.69 114.38 121.07 1yr0 h ARG 43 Ca 0.08 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.68 1yr0 h ARG 43 Cb 0.59 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1yr0 h ARG 43 CO 0.03 0.36 -0.17 0.87 0.56 0.00 0.00 179.97 181.63 1yr0 h LYS 44 N 0.00 0.89 -0.47 0.04 1.57 -0.34 0.14 116.57 118.39 1yr0 h LYS 44 Ca -0.00 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.30 1yr0 h LYS 44 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1yr0 h LYS 44 CO 0.05 0.98 -0.25 -0.44 -0.57 0.00 0.00 179.45 179.23 1yr0 h ASP 45 N 0.78 1.03 -0.22 0.86 3.32 -1.02 -1.04 116.42 120.13 1yr0 h ASP 45 Ca 0.12 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1yr0 h ASP 45 Cb 0.70 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1yr0 h ASP 45 CO 0.05 1.21 0.11 -0.25 -1.72 0.00 0.00 179.24 178.65 1yr0 h TRP 46 N 0.85 0.31 -0.76 4.55 7.01 -1.07 -0.27 115.95 126.57 1yr0 h TRP 46 Ca 0.10 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1yr0 h TRP 46 Cb 0.83 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 1yr0 h TRP 46 CO 0.06 0.30 0.40 0.35 -2.79 0.00 0.00 178.44 176.75 1yr0 h PHE 47 N 0.23 1.07 -0.61 2.65 3.57 -0.62 -2.22 116.94 121.01 1yr0 h PHE 47 Ca 0.08 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1yr0 h PHE 47 Cb 0.10 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1yr0 h PHE 47 CO -0.03 0.76 0.03 0.00 -2.23 0.00 0.00 178.31 176.84 1yr0 h ALA 48 N 1.20 0.81 -0.63 2.41 0.00 -0.94 -1.55 119.26 120.56 1yr0 h ALA 48 Ca 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yr0 h ALA 48 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1yr0 h ALA 48 CO -0.04 0.63 0.38 0.00 0.00 0.00 0.00 179.25 180.22 1yr0 h ALA 49 N 1.00 0.81 -0.34 0.00 0.00 -0.72 -0.68 119.26 119.32 1yr0 h ALA 49 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1yr0 h ALA 49 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yr0 h ALA 49 CO 0.03 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.63 1yr0 h ARG 50 N 0.86 0.55 -0.67 0.00 2.47 -1.25 -2.90 114.38 113.44 1yr0 h ARG 50 Ca 0.23 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1yr0 h ARG 50 Cb -0.02 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 1yr0 h ARG 50 CO -0.04 0.62 0.44 1.15 0.56 0.00 0.00 179.97 182.70 1yr0 h THR 51 N 0.39 1.17 -0.99 2.04 2.02 -1.01 0.29 112.91 116.82 1yr0 h THR 51 Ca 0.10 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1yr0 h THR 51 Cb 0.33 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 1yr0 h THR 51 CO 0.00 0.17 0.65 -1.28 0.37 0.00 0.00 175.52 175.43 1yr0 h SER 52 N 0.90 1.12 -0.00 4.18 0.87 -1.04 -1.68 113.55 117.91 1yr0 h SER 52 Ca 0.24 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1yr0 h SER 52 Cb -0.10 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.58 1yr0 h SER 52 CO -0.05 0.81 -0.00 0.54 -0.53 0.00 0.00 176.83 177.59 1yr0 n ARG 53 N -4.39 1.25 -1.10 2.24 5.12 -1.06 -4.89 116.66 113.83 1yr0 n ARG 53 Ca 0.12 -0.38 -0.03 0.00 -1.93 0.00 0.00 57.85 55.63 1yr0 n ARG 53 Cb 0.03 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 29.82 1yr0 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yr0 n GLY 54 N 1.07 0.64 3.75 -0.13 0.00 -0.63 -5.01 105.19 104.88 1yr0 n GLY 54 Ca 0.22 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1yr0 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yr0 s PHE 55 N -2.07 3.89 0.47 1.61 0.08 0.96 -4.99 117.98 117.92 1yr0 s PHE 55 Ca 0.00 1.79 -0.21 0.00 0.12 0.00 0.00 56.93 58.63 1yr0 s PHE 55 Cb 0.00 -2.96 -0.09 0.00 -0.57 0.00 0.00 43.02 39.41 1yr0 s PHE 55 CO 0.00 0.36 1.03 -1.25 -0.10 0.00 0.00 175.22 175.26 1yr0 s PRO 56 N -0.64 3.90 -0.18 0.24 0.04 -1.26 -4.19 135.00 132.91 1yr0 s PRO 56 Ca 0.42 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1yr0 s PRO 56 Cb -0.24 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.21 1yr0 s PRO 56 CO 0.29 -0.35 0.07 0.08 0.04 0.00 0.00 177.00 177.14 1yr0 s VAL 57 N -1.97 0.17 -0.08 -0.36 1.01 -1.26 -3.78 120.40 114.13 1yr0 s VAL 57 Ca 0.66 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1yr0 s VAL 57 Cb -0.16 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1yr0 s VAL 57 CO 0.20 -0.26 -0.15 -0.63 0.00 0.00 0.00 175.10 174.26 1yr0 s ILE 58 N 2.02 2.91 0.15 2.22 1.01 -0.19 -1.00 121.20 128.32 1yr0 s ILE 58 Ca 0.01 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 59.99 1yr0 s ILE 58 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1yr0 s ILE 58 CO -0.09 0.56 -0.12 0.68 0.00 0.00 0.00 174.94 175.97 1yr0 s VAL 59 N -0.27 3.10 -0.26 2.92 -7.23 -0.46 -0.61 120.40 117.60 1yr0 s VAL 59 Ca 0.01 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 1yr0 s VAL 59 Cb -0.13 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1yr0 s VAL 59 CO 0.03 -0.01 0.05 0.00 -0.31 0.00 0.00 175.10 174.86 1yr0 s ALA 60 N -1.46 3.06 -0.23 1.32 0.00 0.96 -1.83 121.76 123.58 1yr0 s ALA 60 Ca 0.22 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1yr0 s ALA 60 Cb -0.10 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1yr0 s ALA 60 CO 0.13 -0.65 0.18 0.42 0.00 0.00 0.00 175.76 175.84 1yr0 s ILE 61 N 1.54 5.35 -0.12 0.00 -1.09 0.18 -0.14 121.20 126.93 1yr0 s ILE 61 Ca 0.05 0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1yr0 s ILE 61 Cb -0.16 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1yr0 s ILE 61 CO 0.02 0.35 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.84 1yr0 s LEU 62 N 1.03 0.98 -1.20 2.97 2.96 0.55 -1.81 118.68 124.15 1yr0 s LEU 62 Ca 0.08 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1yr0 s LEU 62 Cb -0.13 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 45.94 1yr0 s LEU 62 CO 0.04 -0.20 0.91 -0.67 -1.32 0.00 0.00 176.35 175.12 1yr0 n ASP 63 N 5.04 -5.72 0.00 3.68 2.03 -1.26 -1.72 116.55 118.60 1yr0 n ASP 63 Ca -0.09 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1yr0 n ASP 63 Cb 0.49 -4.38 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 1yr0 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yr0 n GLY 64 N -1.72 0.39 3.60 0.27 0.00 -1.26 -4.98 105.19 101.49 1yr0 n GLY 64 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1yr0 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yr0 s LYS 65 N -0.71 2.16 -0.44 1.61 -0.14 -0.70 -5.09 119.74 116.42 1yr0 s LYS 65 Ca 0.00 -1.40 -0.29 0.00 -1.36 0.00 0.00 55.97 52.92 1yr0 s LYS 65 Cb 0.00 -2.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1yr0 s LYS 65 CO 0.00 0.39 1.12 0.08 -0.76 0.00 0.00 175.35 176.18 1yr0 s VAL 66 N -2.13 4.28 -2.26 3.17 1.01 -1.26 -0.33 120.40 122.87 1yr0 s VAL 66 Ca 0.29 1.34 0.22 0.00 0.00 0.00 0.00 61.98 63.84 1yr0 s VAL 66 Cb -0.07 -4.56 0.05 0.00 0.00 0.00 0.00 36.38 31.80 1yr0 s VAL 66 CO 0.18 -0.89 1.12 0.00 0.00 0.00 0.00 175.10 175.51 1yr0 n ALA 67 N 7.61 3.21 0.00 5.51 0.00 0.81 -4.85 120.51 132.79 1yr0 n ALA 67 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1yr0 n ALA 67 Cb 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1yr0 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yr0 n GLY 68 N 1.37 0.62 3.41 0.00 0.00 -1.17 -0.21 105.19 109.20 1yr0 n GLY 68 Ca 0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 1yr0 n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yr0 s TYR 69 N -2.00 -0.07 0.07 1.61 -0.85 0.25 -0.03 117.35 116.32 1yr0 s TYR 69 Ca 0.00 -0.26 -0.20 0.00 -0.52 0.00 0.00 57.07 56.09 1yr0 s TYR 69 Cb 0.00 0.27 0.05 0.00 0.38 0.00 0.00 41.96 42.65 1yr0 s TYR 69 CO 0.00 -0.80 0.48 0.00 -1.52 0.00 0.00 175.55 173.71 1yr0 s ALA 70 N -3.86 -1.19 0.13 9.51 0.00 0.22 -0.65 121.76 125.92 1yr0 s ALA 70 Ca 0.08 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1yr0 s ALA 70 Cb 0.01 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.66 1yr0 s ALA 70 CO -0.06 -0.53 0.97 0.45 0.00 0.00 0.00 175.76 176.58 1yr0 s SER 71 N -2.17 -0.19 0.08 0.00 0.15 -0.71 -1.02 113.70 109.83 1yr0 s SER 71 Ca -0.03 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.21 1yr0 s SER 71 Cb -0.00 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1yr0 s SER 71 CO -0.04 -0.85 0.10 -0.72 1.20 0.00 0.00 173.24 172.93 1yr0 s TYR 72 N -3.23 0.33 0.00 3.44 1.13 -1.25 -0.49 117.35 117.28 1yr0 s TYR 72 Ca 0.12 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1yr0 s TYR 72 Cb -0.01 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 1yr0 s TYR 72 CO 0.01 -0.49 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 1yr0 n GLY 73 N -0.00 2.42 3.65 5.49 0.00 -0.39 -4.54 105.19 111.82 1yr0 n GLY 73 Ca -0.14 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1yr0 n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yr0 n ASP 74 N -0.11 1.78 -0.12 1.61 8.00 -1.26 -0.24 116.55 126.20 1yr0 n ASP 74 Ca 0.00 1.04 -0.25 0.00 0.71 0.00 0.00 54.79 56.29 1yr0 n ASP 74 Cb 0.00 -1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 39.59 1yr0 n ASP 74 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1yr0 n TRP 75 N -0.51 0.00 -4.21 1.24 -0.00 -1.26 -4.27 117.44 108.43 1yr0 n TRP 75 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.36 1yr0 n TRP 75 Cb 0.40 -0.89 -0.17 0.00 -0.00 0.00 0.00 31.31 30.65 1yr0 n TRP 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1yr0 s ARG 76 N -2.46 1.24 -1.17 5.87 1.81 -1.26 -4.99 118.95 117.99 1yr0 s ARG 76 Ca -0.34 -0.22 -0.19 0.00 -1.72 0.00 0.00 55.73 53.27 1yr0 s ARG 76 Cb 0.12 -1.20 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 1yr0 s ARG 76 CO 0.45 -0.11 1.99 0.00 -0.68 0.00 0.00 175.30 176.96 1yr0 n ALA 77 N 4.27 3.85 -3.27 2.13 0.00 -1.26 -4.74 120.51 121.50 1yr0 n ALA 77 Ca -0.20 -3.56 -0.13 0.00 0.00 0.00 0.00 53.44 49.55 1yr0 n ALA 77 Cb 0.51 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.28 1yr0 n ALA 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1yr0 s PHE 78 N 5.25 -0.39 0.47 0.00 0.40 -1.26 -5.04 117.98 117.40 1yr0 s PHE 78 Ca 0.55 0.93 0.23 0.00 -0.60 0.00 0.00 56.93 58.04 1yr0 s PHE 78 Cb 0.10 0.14 1.25 0.00 0.51 0.00 0.00 43.02 45.01 1yr0 s PHE 78 CO 0.05 -0.22 1.90 0.22 0.70 0.00 0.00 175.22 177.86 1yr0 h ASP 79 N 5.34 0.22 0.39 1.36 1.82 -2.03 0.11 116.42 123.62 1yr0 h ASP 79 Ca -0.27 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1yr0 h ASP 79 Cb 1.18 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1yr0 h ASP 79 CO 0.28 0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.62 1yr0 n GLY 80 N -1.60 -0.94 1.40 -0.78 0.00 -1.26 -2.08 105.19 99.94 1yr0 n GLY 80 Ca 0.17 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1yr0 n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yr0 n TYR 81 N -1.78 1.44 -0.37 1.61 4.02 0.03 -4.69 117.16 117.42 1yr0 n TYR 81 Ca 0.02 -0.72 0.29 0.00 -0.01 0.00 0.00 57.90 57.48 1yr0 n TYR 81 Cb 0.13 -0.34 0.55 0.00 -0.02 0.00 0.00 39.34 39.66 1yr0 n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yr0 h ARG 82 N 3.20 0.22 -0.61 -0.72 3.08 -1.55 0.17 114.38 118.17 1yr0 h ARG 82 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1yr0 h ARG 82 Cb 1.57 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1yr0 h ARG 82 CO 0.30 0.14 0.00 0.72 -1.07 0.00 0.00 179.97 180.06 1yr0 n HIS 83 N -4.88 1.09 -4.99 3.04 8.25 -1.26 -4.86 115.22 111.61 1yr0 n HIS 83 Ca 0.33 -0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 1yr0 n HIS 83 Cb 1.15 -0.17 -0.17 0.00 1.12 0.00 0.00 29.99 31.92 1yr0 n HIS 83 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yr0 s THR 84 N -1.70 1.72 0.02 1.59 2.01 0.59 -0.36 115.64 119.51 1yr0 s THR 84 Ca 0.39 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1yr0 s THR 84 Cb 0.24 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1yr0 s THR 84 CO 0.20 0.48 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.39 1yr0 s ARG 85 N 0.41 0.66 -0.22 4.92 1.81 -0.51 -4.27 118.95 121.75 1yr0 s ARG 85 Ca -0.16 -0.55 -0.09 0.00 -1.72 0.00 0.00 55.73 53.20 1yr0 s ARG 85 Cb -0.17 -0.59 -0.05 0.00 -0.45 0.00 0.00 34.95 33.70 1yr0 s ARG 85 CO 0.07 0.14 0.12 -2.00 -0.68 0.00 0.00 175.30 172.95 1yr0 s GLU 86 N -0.88 4.03 0.24 3.54 2.12 0.67 -0.61 118.70 127.79 1yr0 s GLU 86 Ca -0.01 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.08 1yr0 s GLU 86 Cb -0.06 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1yr0 s GLU 86 CO 0.00 0.13 0.22 -3.38 -0.54 0.00 0.00 175.26 171.69 1yr0 s HIS 87 N 0.83 3.18 -0.00 5.30 -3.43 -0.88 -1.27 115.29 119.03 1yr0 s HIS 87 Ca 0.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 55.06 54.24 1yr0 s HIS 87 Cb -0.13 -1.45 -0.00 0.00 -1.43 0.00 0.00 32.58 29.57 1yr0 s HIS 87 CO 0.02 0.51 0.01 -1.12 -2.00 0.00 0.00 174.74 172.16 1yr0 s SER 88 N -3.75 0.03 -0.05 7.38 0.01 0.36 -4.67 113.70 113.02 1yr0 s SER 88 Ca 0.33 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.53 1yr0 s SER 88 Cb -0.08 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.21 1yr0 s SER 88 CO 0.26 -0.06 -0.04 -0.69 0.41 0.00 0.00 173.24 173.12 1yr0 s VAL 89 N -0.26 0.50 -0.05 3.43 1.01 -1.26 -1.74 120.40 122.02 1yr0 s VAL 89 Ca -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1yr0 s VAL 89 Cb -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1yr0 s VAL 89 CO -0.00 0.22 -0.13 -0.31 0.00 0.00 0.00 175.10 174.88 1yr0 s TYR 90 N 1.00 1.45 -0.07 5.22 1.51 0.17 -5.02 117.35 121.61 1yr0 s TYR 90 Ca -0.10 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1yr0 s TYR 90 Cb -0.14 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 1yr0 s TYR 90 CO -0.00 -0.21 -0.20 0.08 -1.11 0.00 0.00 175.55 174.11 1yr0 s VAL 91 N 0.36 2.51 0.31 0.71 1.01 -1.26 -0.59 120.40 123.46 1yr0 s VAL 91 Ca -0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 1yr0 s VAL 91 Cb -0.13 -1.97 -0.12 0.00 0.00 0.00 0.00 36.38 34.16 1yr0 s VAL 91 CO 0.03 0.56 1.41 1.57 0.00 0.00 0.00 175.10 178.67 1yr0 n HIS 92 N 2.96 2.45 -0.20 5.22 -0.00 0.71 -4.87 115.22 121.48 1yr0 n HIS 92 Ca -0.18 0.45 0.26 0.00 0.46 0.00 0.00 57.72 58.71 1yr0 n HIS 92 Cb 0.52 -2.48 0.66 0.00 -0.12 0.00 0.00 29.99 28.58 1yr0 n HIS 92 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 1yr0 h LYS 93 N 3.50 0.11 -0.64 1.57 2.10 -1.95 -0.21 116.57 121.06 1yr0 h LYS 93 Ca -0.47 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.13 1yr0 h LYS 93 Cb 1.26 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1yr0 h LYS 93 CO 0.70 0.07 0.06 -0.25 -2.00 0.00 0.00 179.45 178.03 1yr0 n ASP 94 N -4.35 5.31 -0.82 7.07 8.00 -1.26 -4.24 116.55 126.27 1yr0 n ASP 94 Ca 0.19 -2.94 0.02 0.00 0.71 0.00 0.00 54.79 52.77 1yr0 n ASP 94 Cb 0.89 -0.69 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1yr0 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yr0 n ALA 95 N 0.44 2.17 -1.82 2.24 0.00 -0.09 -5.10 120.51 118.35 1yr0 n ALA 95 Ca 0.29 -1.58 -0.31 0.00 0.00 0.00 0.00 53.44 51.85 1yr0 n ALA 95 Cb 1.19 -0.57 0.03 0.00 0.00 0.00 0.00 19.45 20.10 1yr0 n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yr0 s ARG 96 N -0.20 3.23 -0.05 0.00 1.81 -1.23 -4.12 118.95 118.40 1yr0 s ARG 96 Ca 0.14 0.69 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1yr0 s ARG 96 Cb 0.15 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.61 1yr0 s ARG 96 CO -0.06 -0.82 0.00 0.41 -0.68 0.00 0.00 175.30 174.15 1yr0 n GLY 97 N -2.70 0.47 0.40 -3.53 0.00 -1.26 -4.90 105.19 93.67 1yr0 n GLY 97 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1yr0 n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yr0 n HIS 98 N -2.95 0.27 -0.99 1.61 8.25 -1.26 -4.97 115.22 115.19 1yr0 n HIS 98 Ca -0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1yr0 n HIS 98 Cb 0.03 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1yr0 n HIS 98 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yr0 n GLY 99 N 0.18 0.57 0.32 -1.41 0.00 -1.26 -4.92 105.19 98.67 1yr0 n GLY 99 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1yr0 n GLY 99 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yr0 h ILE 100 N 0.00 1.17 -0.19 -0.61 2.04 -1.93 -2.63 117.51 115.36 1yr0 h ILE 100 Ca 0.00 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1yr0 h ILE 100 Cb 0.07 -0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.10 1yr0 h ILE 100 CO 0.00 0.20 -0.11 1.23 0.00 0.00 0.00 178.15 179.47 1yr0 h GLY 101 N 1.08 0.05 1.36 5.37 0.00 -1.94 -0.75 103.07 108.25 1yr0 h GLY 101 Ca 0.32 0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 1yr0 h GLY 101 CO -0.09 -0.12 -0.06 1.70 0.00 0.00 0.00 176.54 177.96 1yr0 h LYS 102 N -0.09 0.77 -0.50 4.80 3.64 -1.94 -2.78 116.57 120.48 1yr0 h LYS 102 Ca 0.11 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 1yr0 h LYS 102 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1yr0 h LYS 102 CO -0.25 0.82 -0.08 0.00 -2.27 0.00 0.00 179.45 177.68 1yr0 h ARG 103 N 0.71 0.89 -0.63 1.90 3.08 -1.09 -0.85 114.38 118.40 1yr0 h ARG 103 Ca 0.13 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1yr0 h ARG 103 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1yr0 h ARG 103 CO 0.03 0.94 0.00 1.28 -1.07 0.00 0.00 179.97 181.15 1yr0 n LEU 104 N -4.16 0.44 0.00 3.04 4.77 -0.32 -1.35 117.00 119.41 1yr0 n LEU 104 Ca 0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1yr0 n LEU 104 Cb 0.37 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1yr0 n LEU 104 CO 0.44 0.09 0.00 1.67 -1.33 0.00 0.00 177.39 178.26 1yr0 n GLN 106 N 0.47 0.00 -0.24 3.23 -0.06 -0.32 -1.61 117.38 118.85 1yr0 n GLN 106 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.95 1yr0 n GLN 106 Cb 0.09 0.00 0.11 0.00 -4.06 0.00 0.00 30.24 26.38 1yr0 n GLN 106 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yr0 h ALA 107 N 0.00 1.09 -0.31 1.69 0.00 -1.46 -1.29 119.26 118.99 1yr0 h ALA 107 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1yr0 h ALA 107 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1yr0 h ALA 107 CO 0.00 0.63 -0.46 -0.07 0.00 0.00 0.00 179.25 179.35 1yr0 h LEU 108 N 1.05 0.89 -0.64 0.00 3.38 -1.58 -1.88 115.31 116.53 1yr0 h LEU 108 Ca 0.23 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1yr0 h LEU 108 Cb 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1yr0 h LEU 108 CO -0.01 1.21 0.35 0.40 0.09 0.00 0.00 178.44 180.48 1yr0 h ILE 109 N 0.65 1.20 -0.57 1.22 2.04 -1.77 0.20 117.51 120.47 1yr0 h ILE 109 Ca 0.04 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1yr0 h ILE 109 Cb 1.04 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1yr0 h ILE 109 CO 0.10 0.22 0.19 0.44 0.00 0.00 0.00 178.15 179.10 1yr0 h ASP 110 N 0.87 0.83 -0.37 1.72 3.32 -1.14 -0.26 116.42 121.39 1yr0 h ASP 110 Ca 0.23 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1yr0 h ASP 110 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1yr0 h ASP 110 CO -0.04 0.81 -0.18 -0.74 -1.72 0.00 0.00 179.24 177.38 1yr0 h HIS 111 N 0.80 0.90 -0.17 4.55 2.76 -1.01 -2.94 115.15 120.04 1yr0 h HIS 111 Ca 0.19 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1yr0 h HIS 111 Cb 0.27 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1yr0 h HIS 111 CO 0.02 0.96 0.10 0.00 -1.30 0.00 0.00 177.93 177.71 1yr0 h ALA 112 N 0.80 0.22 -0.12 5.26 0.00 -0.41 -1.04 119.26 123.97 1yr0 h ALA 112 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yr0 h ALA 112 Cb 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yr0 h ALA 112 CO 0.05 -0.31 0.12 0.78 0.00 0.00 0.00 179.25 179.89 1yr0 h GLY 113 N 0.22 0.00 -2.06 0.00 0.00 -1.01 -0.59 103.07 99.62 1yr0 h GLY 113 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1yr0 h GLY 113 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1yr0 n GLY 114 N -1.42 1.86 0.92 4.60 0.00 -0.86 -4.35 105.19 105.93 1yr0 n GLY 114 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1yr0 n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yr0 n ASN 115 N 1.27 2.39 -3.30 1.61 5.15 -0.29 -4.96 115.26 117.14 1yr0 n ASN 115 Ca 0.18 -3.87 -0.24 0.00 -0.60 0.00 0.00 54.58 50.05 1yr0 n ASN 115 Cb 0.55 -0.51 0.03 0.00 -0.53 0.00 0.00 39.78 39.32 1yr0 n ASN 115 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1yr0 n ASP 116 N -1.05 -5.51 -4.56 1.20 2.03 -1.22 -4.96 116.55 102.49 1yr0 n ASP 116 Ca 0.25 -0.41 -0.37 0.00 0.52 0.00 0.00 54.79 54.78 1yr0 n ASP 116 Cb 0.77 -4.44 -0.11 0.00 -0.72 0.00 0.00 41.12 36.62 1yr0 n ASP 116 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1yr0 s VAL 117 N -3.16 5.00 -0.08 5.18 1.01 -0.86 -4.63 120.40 122.86 1yr0 s VAL 117 Ca 0.41 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1yr0 s VAL 117 Cb -0.20 -3.36 -0.25 0.00 0.00 0.00 0.00 36.38 32.57 1yr0 s VAL 117 CO 0.51 0.30 0.51 -0.74 0.00 0.00 0.00 175.10 175.69 1yr0 h HIS 118 N 8.11 0.31 -3.77 5.22 2.76 -1.00 -3.41 115.15 123.38 1yr0 h HIS 118 Ca -0.36 -0.22 -0.32 0.00 -2.20 0.00 0.00 60.37 57.26 1yr0 h HIS 118 Cb 1.18 -0.01 -0.30 0.00 1.55 0.00 0.00 27.41 29.83 1yr0 h HIS 118 CO 0.71 1.47 -0.75 0.08 -1.30 0.00 0.00 177.93 178.14 1yr0 s VAL 119 N -2.58 0.32 -0.13 5.26 1.01 -0.52 0.07 120.40 123.84 1yr0 s VAL 119 Ca -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1yr0 s VAL 119 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1yr0 s VAL 119 CO 0.80 0.11 -0.06 -0.76 0.00 0.00 0.00 175.10 175.20 1yr0 s LEU 120 N 0.19 3.17 -0.07 3.92 1.43 -0.34 -1.43 118.68 125.54 1yr0 s LEU 120 Ca -0.02 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1yr0 s LEU 120 Cb -0.05 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1yr0 s LEU 120 CO -0.00 0.22 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 1yr0 s ILE 121 N 0.03 2.77 -0.07 -0.59 -1.09 0.22 -1.51 121.20 120.96 1yr0 s ILE 121 Ca -0.01 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1yr0 s ILE 121 Cb -0.14 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1yr0 s ILE 121 CO 0.03 0.57 -0.22 0.00 -1.23 0.00 0.00 174.94 174.09 1yr0 s ALA 122 N -0.33 2.28 -0.39 9.38 0.00 -1.26 -2.08 121.76 129.37 1yr0 s ALA 122 Ca 0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1yr0 s ALA 122 Cb -0.13 -0.79 0.10 0.00 0.00 0.00 0.00 23.12 22.30 1yr0 s ALA 122 CO 0.02 0.40 0.17 0.00 0.00 0.00 0.00 175.76 176.35 1yr0 s ALA 123 N -0.11 3.09 -0.06 0.00 0.00 -1.26 -4.13 121.76 119.29 1yr0 s ALA 123 Ca -0.04 -2.43 0.03 0.00 0.00 0.00 0.00 51.96 49.51 1yr0 s ALA 123 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1yr0 s ALA 123 CO 0.04 -1.72 -0.14 0.42 0.00 0.00 0.00 175.76 174.36 1yr0 s ILE 124 N 1.14 3.08 0.12 0.00 1.01 0.30 -4.96 121.20 121.88 1yr0 s ILE 124 Ca 0.07 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 1yr0 s ILE 124 Cb -0.22 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.93 1yr0 s ILE 124 CO -0.04 0.58 1.81 -0.70 0.00 0.00 0.00 174.94 176.59 1yr0 s GLU 125 N -0.56 4.14 0.40 2.79 -6.30 -1.26 -0.14 118.70 117.78 1yr0 s GLU 125 Ca 0.08 2.56 0.22 0.00 -2.50 0.00 0.00 54.97 55.33 1yr0 s GLU 125 Cb -0.11 -3.60 1.23 0.00 0.00 0.00 0.00 34.13 31.64 1yr0 s GLU 125 CO 0.01 -0.83 1.68 0.00 0.02 0.00 0.00 175.26 176.15 1yr0 h ALA 126 N 8.59 2.36 -0.00 6.30 0.00 -1.71 0.27 119.26 135.07 1yr0 h ALA 126 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1yr0 h ALA 126 Cb 1.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1yr0 h ALA 126 CO 0.95 -0.91 -0.19 0.39 0.00 0.00 0.00 179.25 179.49 1yr0 n GLU 127 N -4.76 0.30 -2.34 0.00 -0.58 -1.26 -4.64 120.64 107.36 1yr0 n GLU 127 Ca 0.32 -0.11 -0.36 0.00 -0.42 0.00 0.00 57.16 56.59 1yr0 n GLU 127 Cb 1.13 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.47 1yr0 n GLU 127 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1yr0 s ASN 128 N -2.77 5.95 0.28 1.62 3.84 0.08 -4.77 114.94 119.18 1yr0 s ASN 128 Ca 0.20 -1.79 -0.03 0.00 0.21 0.00 0.00 52.86 51.45 1yr0 s ASN 128 Cb 0.19 -2.58 0.39 0.00 -0.55 0.00 0.00 41.25 38.70 1yr0 s ASN 128 CO 0.55 -2.07 1.91 0.74 -2.79 0.00 0.00 177.10 175.44 1yr0 h THR 129 N 6.20 1.22 -0.28 -5.21 2.02 -1.85 -2.63 112.91 112.38 1yr0 h THR 129 Ca 0.28 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1yr0 h THR 129 Cb 0.93 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1yr0 h THR 129 CO 1.34 0.25 0.13 0.00 0.37 0.00 0.00 175.52 177.61 1yr0 h ALA 130 N 1.41 0.33 -0.36 6.16 0.00 -1.99 -1.43 119.26 123.38 1yr0 h ALA 130 Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1yr0 h ALA 130 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yr0 h ALA 130 CO -0.04 -0.26 0.12 1.03 0.00 0.00 0.00 179.25 180.09 1yr0 h SER 131 N 0.28 0.52 -0.47 0.00 0.87 -1.91 -1.40 113.55 111.45 1yr0 h SER 131 Ca 0.12 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1yr0 h SER 131 Cb 0.04 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1yr0 h SER 131 CO -0.09 0.58 0.28 0.40 -0.53 0.00 0.00 176.83 177.47 1yr0 h ILE 132 N 0.44 1.05 -0.21 2.23 2.04 -1.35 -0.98 117.51 120.73 1yr0 h ILE 132 Ca 0.12 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1yr0 h ILE 132 Cb 0.24 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1yr0 h ILE 132 CO -0.00 0.10 -0.21 0.03 0.00 0.00 0.00 178.15 178.06 1yr0 h ARG 133 N 0.56 0.37 -0.26 2.37 3.08 -1.14 -0.75 114.38 118.60 1yr0 h ARG 133 Ca 0.19 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1yr0 h ARG 133 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1yr0 h ARG 133 CO -0.08 0.57 0.05 1.25 -1.07 0.00 0.00 179.97 180.68 1yr0 h LEU 134 N 0.33 0.42 -0.40 3.04 5.85 -0.59 -1.63 115.31 122.32 1yr0 h LEU 134 Ca 0.06 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1yr0 h LEU 134 Cb 0.57 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1yr0 h LEU 134 CO 0.04 0.57 0.11 0.45 -0.34 0.00 0.00 178.44 179.26 1yr0 h HIS 135 N 0.25 0.66 -0.62 1.25 3.86 -0.94 -2.68 115.15 116.93 1yr0 h HIS 135 Ca 0.08 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1yr0 h HIS 135 Cb 0.32 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1yr0 h HIS 135 CO 0.02 0.63 0.41 0.93 0.86 0.00 0.00 177.93 180.78 1yr0 h GLU 136 N 0.50 0.74 0.00 2.45 5.08 -1.05 0.19 114.58 122.49 1yr0 h GLU 136 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yr0 h GLU 136 Cb 0.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1yr0 h GLU 136 CO -0.00 0.49 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 1yr0 n SER 137 N -4.46 0.09 -0.70 1.42 3.41 -0.62 -1.72 113.62 111.05 1yr0 n SER 137 Ca 0.07 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 1yr0 n SER 137 Cb 0.11 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 63.71 1yr0 n SER 137 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yr0 n LEU 138 N -1.60 3.33 0.00 1.04 4.77 0.58 -4.97 117.00 120.15 1yr0 n LEU 138 Ca 0.03 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1yr0 n LEU 138 Cb 0.15 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1yr0 n LEU 138 CO 0.12 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1yr0 n GLY 139 N -0.20 0.92 3.76 -0.72 0.00 -0.70 -5.05 105.19 103.21 1yr0 n GLY 139 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1yr0 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yr0 s PHE 140 N -2.73 2.70 -0.02 1.61 0.40 -0.79 -4.80 117.98 114.34 1yr0 s PHE 140 Ca 0.00 1.48 0.05 0.00 -0.60 0.00 0.00 56.93 57.86 1yr0 s PHE 140 Cb 0.00 -3.53 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1yr0 s PHE 140 CO 0.00 -1.97 -0.17 0.50 0.70 0.00 0.00 175.22 174.29 1yr0 s ARG 141 N -2.72 2.33 -0.01 0.44 3.52 0.25 -4.35 118.95 118.40 1yr0 s ARG 141 Ca 0.65 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 55.14 1yr0 s ARG 141 Cb -0.33 -2.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1yr0 s ARG 141 CO 0.40 0.59 1.38 0.08 -0.81 0.00 0.00 175.30 176.94 1yr0 s VAL 142 N -0.78 3.77 -0.20 7.11 1.01 -1.26 -0.98 120.40 129.06 1yr0 s VAL 142 Ca 0.12 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 63.03 1yr0 s VAL 142 Cb -0.10 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.35 1yr0 s VAL 142 CO 0.02 -0.00 0.25 0.58 0.00 0.00 0.00 175.10 175.95 1yr0 h VAL 143 N 4.94 0.96 -1.66 2.92 2.07 -0.88 -3.47 116.25 121.13 1yr0 h VAL 143 Ca -0.37 -2.19 0.39 0.00 0.82 0.00 0.00 66.70 65.34 1yr0 h VAL 143 Cb 1.18 2.30 -0.10 0.00 -1.52 0.00 0.00 31.29 33.14 1yr0 h VAL 143 CO 0.90 0.34 0.98 -0.83 0.02 0.00 0.00 177.57 178.98 1yr0 s GLY 144 N -4.83 -0.31 -0.14 2.17 0.00 -1.16 -5.02 107.32 98.03 1yr0 s GLY 144 Ca -0.28 0.44 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 1yr0 s GLY 144 CO 0.60 4.00 -0.09 -1.60 0.00 0.00 0.00 173.10 176.02 1yr0 s ARG 145 N -2.05 1.72 -0.09 2.90 3.52 -1.26 -1.17 118.95 122.52 1yr0 s ARG 145 Ca 0.25 -0.42 -0.22 0.00 -0.13 0.00 0.00 55.73 55.20 1yr0 s ARG 145 Cb 0.03 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.53 1yr0 s ARG 145 CO -0.04 -0.31 0.66 -0.06 -0.81 0.00 0.00 175.30 174.75 1yr0 s PHE 146 N 1.62 3.55 -0.21 5.12 0.40 0.18 -4.89 117.98 123.74 1yr0 s PHE 146 Ca 0.04 1.17 -0.24 0.00 -0.60 0.00 0.00 56.93 57.30 1yr0 s PHE 146 Cb -0.13 -2.77 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 1yr0 s PHE 146 CO -0.09 0.07 0.77 0.45 0.70 0.00 0.00 175.22 177.13 1yr0 s SER 147 N 0.81 6.82 -1.59 1.36 0.15 -1.26 -0.65 113.70 119.34 1yr0 s SER 147 Ca 0.35 1.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.87 1yr0 s SER 147 Cb -0.17 -2.41 0.11 0.00 -1.71 0.00 0.00 66.02 61.83 1yr0 s SER 147 CO 0.16 -0.41 0.83 -0.62 1.20 0.00 0.00 173.24 174.40 1yr0 n GLU 148 N 5.52 -4.23 0.04 5.44 1.02 -1.18 -4.86 120.64 122.40 1yr0 n GLU 148 Ca 0.03 0.48 0.13 0.00 -0.02 0.00 0.00 57.16 57.78 1yr0 n GLU 148 Cb 0.48 -5.21 0.34 0.00 -0.02 0.00 0.00 31.44 27.03 1yr0 n GLU 148 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1yr0 n VAL 149 N -4.51 0.24 -4.40 2.62 0.24 -0.66 -4.72 118.33 107.14 1yr0 n VAL 149 Ca 0.01 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.34 61.96 1yr0 n VAL 149 Cb 0.53 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.58 1yr0 n VAL 149 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1yr0 s GLY 150 N -3.34 1.77 -0.11 7.63 0.00 -0.74 -4.98 107.32 107.56 1yr0 s GLY 150 Ca 0.10 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 42.86 1yr0 s GLY 150 CO 0.65 -1.77 0.27 -1.08 0.00 0.00 0.00 173.10 171.16 1yr0 s THR 151 N -3.20 -0.01 -0.10 0.90 -1.32 -1.26 0.45 115.64 111.10 1yr0 s THR 151 Ca 0.30 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.52 1yr0 s THR 151 Cb 0.05 -0.39 0.11 0.00 -1.51 0.00 0.00 72.50 70.76 1yr0 s THR 151 CO 0.11 0.02 0.89 -0.75 -2.21 0.00 0.00 174.62 172.68 1yr0 s LYS 152 N 0.47 0.76 -1.95 7.08 2.20 -0.88 -4.90 119.74 122.52 1yr0 s LYS 152 Ca -0.03 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1yr0 s LYS 152 Cb -0.04 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1yr0 s LYS 152 CO -0.02 -0.25 0.00 1.19 -0.36 0.00 0.00 175.35 175.90 1yr0 n PHE 153 N 0.62 -0.53 -1.77 4.03 3.72 -1.26 -1.66 117.46 120.61 1yr0 n PHE 153 Ca -0.12 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.18 1yr0 n PHE 153 Cb 0.58 -3.67 -0.02 0.00 -0.94 0.00 0.00 39.48 35.43 1yr0 n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yr0 n GLY 154 N -0.69 0.50 3.05 1.37 0.00 -1.26 -5.02 105.19 103.14 1yr0 n GLY 154 Ca -0.22 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1yr0 n GLY 154 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yr0 s ARG 155 N -3.72 0.48 0.33 1.61 1.70 -0.67 -5.14 118.95 113.54 1yr0 s ARG 155 Ca 0.00 -0.92 -0.28 0.00 -0.47 0.00 0.00 55.73 54.06 1yr0 s ARG 155 Cb 0.00 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 1yr0 s ARG 155 CO 0.00 -0.09 1.11 -1.58 -1.08 0.00 0.00 175.30 173.66 1yr0 s TRP 156 N -2.77 3.41 0.01 5.89 0.23 -1.26 -2.07 118.94 122.38 1yr0 s TRP 156 Ca -0.04 1.65 0.07 0.00 -2.03 0.00 0.00 56.10 55.75 1yr0 s TRP 156 Cb -0.00 -3.28 -0.02 0.00 0.03 0.00 0.00 33.47 30.19 1yr0 s TRP 156 CO -0.06 -0.74 -0.20 -0.51 0.96 0.00 0.00 176.95 176.40 1yr0 s LEU 157 N -1.89 2.09 0.14 2.99 1.43 0.17 -4.93 118.68 118.68 1yr0 s LEU 157 Ca 0.50 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1yr0 s LEU 157 Cb -0.30 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1yr0 s LEU 157 CO 0.38 0.21 0.31 -1.81 0.23 0.00 0.00 176.35 175.67 1yr0 s ASP 158 N -0.74 6.38 -0.21 2.29 1.11 -1.26 -1.66 116.67 122.58 1yr0 s ASP 158 Ca 0.07 0.32 0.02 0.00 0.18 0.00 0.00 52.55 53.14 1yr0 s ASP 158 Cb -0.08 -1.97 0.03 0.00 1.07 0.00 0.00 42.92 41.97 1yr0 s ASP 158 CO 0.00 0.05 -0.16 -0.22 1.18 0.00 0.00 175.17 176.03 1yr0 s LEU 159 N -3.00 2.54 -0.27 1.23 2.96 0.18 -1.93 118.68 120.39 1yr0 s LEU 159 Ca 0.37 -0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 1yr0 s LEU 159 Cb -0.12 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1yr0 s LEU 159 CO 0.28 -0.07 0.16 -0.89 -1.32 0.00 0.00 176.35 174.51 1yr0 s THR 160 N 1.25 5.16 0.53 3.68 2.01 0.81 0.48 115.64 129.55 1yr0 s THR 160 Ca 0.00 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1yr0 s THR 160 Cb -0.15 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 68.97 1yr0 s THR 160 CO -0.10 0.29 0.59 0.00 -0.69 0.00 0.00 174.62 174.71 1yr0 s GLU 163 N -4.44 0.74 -0.07 0.00 -1.05 -0.16 -0.08 118.70 113.64 1yr0 s GLU 163 Ca 0.51 0.00 -0.03 0.00 -0.15 0.00 0.00 54.97 55.30 1yr0 s GLU 163 Cb -0.05 0.35 0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1yr0 s GLU 163 CO 0.31 -0.27 0.06 -1.17 0.95 0.00 0.00 175.26 175.15 1yr0 s LEU 164 N -1.61 0.24 0.01 1.83 2.96 -0.57 -0.59 118.68 120.95 1yr0 s LEU 164 Ca -0.01 -0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 53.56 1yr0 s LEU 164 Cb -0.01 -0.19 -0.05 0.00 0.50 0.00 0.00 46.19 46.44 1yr0 s LEU 164 CO -0.01 -0.27 0.73 -0.75 -1.32 0.00 0.00 176.35 174.74 1yr0 s LYS 165 N 2.14 4.46 0.00 1.98 2.20 -1.26 -1.20 119.74 128.06 1yr0 s LYS 165 Ca 0.04 0.99 0.20 0.00 -0.36 0.00 0.00 55.97 56.84 1yr0 s LYS 165 Cb -0.13 -3.39 0.16 0.00 -1.51 0.00 0.00 37.83 32.96 1yr0 s LYS 165 CO -0.05 0.22 1.15 1.28 -0.36 0.00 0.00 175.35 177.59