#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h91 h ILE 3 N 0.00 0.49 -4.13 0.58 1.08 -2.03 -3.45 117.51 110.06 1h91 h ILE 3 Ca 0.00 -1.47 -0.54 0.00 -0.39 0.00 0.00 64.86 62.46 1h91 h ILE 3 Cb 0.00 1.03 0.14 0.00 -3.07 0.00 0.00 36.82 34.92 1h91 h ILE 3 CO 0.00 0.17 0.46 -2.84 -0.69 0.00 0.00 178.15 175.25 1h91 s PRO 4 N -2.06 2.60 0.00 2.37 0.02 -1.26 -4.86 135.00 131.81 1h91 s PRO 4 Ca -0.14 1.87 0.13 0.00 0.02 0.00 0.00 61.00 62.88 1h91 s PRO 4 Cb 0.01 -1.88 0.57 0.00 0.02 0.00 0.00 34.50 33.23 1h91 s PRO 4 CO 0.31 -1.51 1.41 0.27 -0.33 0.00 0.00 177.00 177.16 1h91 n ASN 5 N -2.02 0.00 -1.26 2.53 0.23 -1.26 -1.56 115.26 111.92 1h91 n ASN 5 Ca 0.14 0.46 0.12 0.00 -0.53 0.00 0.00 54.58 54.77 1h91 n ASN 5 Cb 0.49 -0.48 0.28 0.00 -2.08 0.00 0.00 39.78 37.99 1h91 n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1h91 n PHE 6 N -1.48 0.77 -3.61 -2.53 1.16 -1.26 -4.75 117.46 105.75 1h91 n PHE 6 Ca 0.03 -0.38 -0.40 0.00 -1.87 0.00 0.00 57.45 54.83 1h91 n PHE 6 Cb 0.15 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.91 1h91 n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1h91 s VAL 7 N -1.23 4.45 -0.03 1.97 1.01 -0.60 -3.70 120.40 122.26 1h91 s VAL 7 Ca 0.44 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1h91 s VAL 7 Cb 0.24 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1h91 s VAL 7 CO 0.33 -0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.30 1h91 s VAL 8 N 1.52 1.42 0.73 2.92 1.01 0.03 -4.70 120.40 123.33 1h91 s VAL 8 Ca 0.02 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1h91 s VAL 8 Cb -0.20 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1h91 s VAL 8 CO 0.06 0.41 1.21 -2.65 0.00 0.00 0.00 175.10 174.13 1h91 n PRO 9 N 2.89 0.64 0.00 2.72 -0.02 -1.26 -1.28 135.00 138.69 1h91 n PRO 9 Ca -0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1h91 n PRO 9 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1h91 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h91 n GLY 10 N 0.79 -0.95 3.80 -1.23 0.00 -0.36 -4.67 105.19 102.56 1h91 n GLY 10 Ca 0.15 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1h91 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h91 s LYS 11 N -1.12 3.77 0.30 1.61 -2.85 -1.26 -2.54 119.74 117.65 1h91 s LYS 11 Ca 0.00 1.29 -0.27 0.00 -1.00 0.00 0.00 55.97 55.98 1h91 s LYS 11 Cb 0.00 -2.09 -0.14 0.00 -2.06 0.00 0.00 37.83 33.54 1h91 s LYS 11 CO 0.00 -0.45 0.92 0.00 0.10 0.00 0.00 175.35 175.92 1h91 n ALA 13 N 0.07 0.92 -2.68 0.00 0.00 -1.26 -5.00 120.51 112.57 1h91 n ALA 13 Ca 0.11 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1h91 n ALA 13 Cb 0.32 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 1h91 n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1h91 s SER 14 N -1.10 7.27 -0.11 0.00 0.01 -1.26 -4.97 113.70 113.55 1h91 s SER 14 Ca 0.74 1.59 0.15 0.00 1.31 0.00 0.00 55.95 59.75 1h91 s SER 14 Cb -0.42 -2.56 0.24 0.00 0.21 0.00 0.00 66.02 63.48 1h91 s SER 14 CO 0.47 -0.40 1.12 1.33 0.41 0.00 0.00 173.24 176.17 1h91 n VAL 15 N 4.35 1.64 -3.55 3.43 0.24 -1.26 -5.00 118.33 118.19 1h91 n VAL 15 Ca 0.08 -1.95 -0.21 0.00 -2.04 0.00 0.00 64.34 60.21 1h91 n VAL 15 Cb 0.49 -0.10 0.05 0.00 -1.47 0.00 0.00 33.84 32.82 1h91 n VAL 15 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1h91 n ASP 16 N -1.23 -3.63 0.20 -1.34 8.00 -1.26 -4.89 116.55 112.40 1h91 n ASP 16 Ca 0.13 -0.81 0.05 0.00 0.71 0.00 0.00 54.79 54.87 1h91 n ASP 16 Cb 0.60 -4.33 0.50 0.00 -0.02 0.00 0.00 41.12 37.86 1h91 n ASP 16 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1h91 h ARG 17 N -1.67 0.07 -0.33 -1.24 3.08 -1.95 -3.09 114.38 109.25 1h91 h ARG 17 Ca -0.62 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.31 1h91 h ARG 17 Cb 1.34 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1h91 h ARG 17 CO 0.51 0.20 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.47 1h91 h ASN 18 N 0.07 0.76 -0.48 7.04 2.35 -1.90 0.10 115.58 123.53 1h91 h ASN 18 Ca 0.02 -0.44 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1h91 h ASN 18 Cb 0.27 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1h91 h ASN 18 CO 0.02 1.03 0.31 0.50 -1.65 0.00 0.00 177.43 177.64 1h91 h LYS 19 N 0.49 0.61 -0.70 0.81 3.64 -1.95 -1.65 116.57 117.83 1h91 h LYS 19 Ca 0.06 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1h91 h LYS 19 Cb 0.78 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1h91 h LYS 19 CO 0.06 0.40 0.24 -0.07 -2.27 0.00 0.00 179.45 177.82 1h91 h LEU 20 N 0.63 1.00 -0.69 5.20 3.38 -1.44 -2.08 115.31 121.31 1h91 h LEU 20 Ca 0.18 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1h91 h LEU 20 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1h91 h LEU 20 CO -0.05 0.93 0.10 -0.25 0.09 0.00 0.00 178.44 179.25 1h91 h TRP 21 N 1.02 1.18 -0.70 1.13 2.91 -0.71 -1.09 115.95 119.69 1h91 h TRP 21 Ca 0.23 -0.17 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 1h91 h TRP 21 Cb 0.27 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 1h91 h TRP 21 CO 0.02 0.99 0.26 0.00 -1.03 0.00 0.00 178.44 178.68 1h91 h ALA 22 N 1.06 1.14 -0.42 2.65 0.00 -1.15 -0.76 119.26 121.78 1h91 h ALA 22 Ca 0.20 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1h91 h ALA 22 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h91 h ALA 22 CO 0.01 0.61 -0.22 0.93 0.00 0.00 0.00 179.25 180.59 1h91 h GLU 23 N 1.02 0.84 0.00 0.00 5.08 -1.06 -3.38 114.58 117.09 1h91 h GLU 23 Ca 0.23 -0.34 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 1h91 h GLU 23 Cb 0.22 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1h91 h GLU 23 CO -0.02 0.98 -1.80 1.04 -1.00 0.00 0.00 179.01 178.21 1h91 n GLN 24 N -4.11 0.65 -0.28 2.33 6.02 -0.44 -4.38 117.38 117.16 1h91 n GLN 24 Ca 0.00 0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.06 1h91 n GLN 24 Cb 0.44 -1.69 0.06 0.00 1.02 0.00 0.00 30.24 30.07 1h91 n GLN 24 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1h91 h THR 25 N 0.00 1.22 0.00 5.09 2.02 -1.31 -1.74 112.91 118.19 1h91 h THR 25 Ca -0.27 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1h91 h THR 25 Cb 1.76 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1h91 h THR 25 CO 0.04 0.24 0.00 -2.65 0.37 0.00 0.00 175.52 173.52 1h91 n PRO 26 N -4.48 0.20 -0.53 6.66 -0.02 -1.26 -3.65 135.00 131.93 1h91 n PRO 26 Ca 0.07 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1h91 n PRO 26 Cb 0.07 -1.86 0.31 0.00 -0.02 0.00 0.00 33.50 32.01 1h91 n PRO 26 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h91 n ASN 27 N -2.23 4.38 -0.28 2.55 3.02 -0.66 -4.63 115.26 117.41 1h91 n ASN 27 Ca 0.02 -2.47 0.08 0.00 -0.03 0.00 0.00 54.58 52.19 1h91 n ASN 27 Cb 0.25 -0.52 0.23 0.00 -0.61 0.00 0.00 39.78 39.13 1h91 n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1h91 h ARG 28 N 3.45 0.44 -0.61 3.52 2.47 -1.60 -0.16 114.38 121.89 1h91 h ARG 28 Ca 0.00 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1h91 h ARG 28 Cb 1.35 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 1h91 h ARG 28 CO 0.20 0.29 0.40 -2.95 0.56 0.00 0.00 179.97 178.47 1h91 h ASN 29 N 0.45 0.57 1.09 7.04 -1.07 -1.90 -1.67 115.58 120.08 1h91 h ASN 29 Ca 0.47 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.84 1h91 h ASN 29 Cb 0.79 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 1h91 h ASN 29 CO -0.45 0.38 0.00 -1.20 0.07 0.00 0.00 177.43 176.23 1h91 n SER 30 N -4.47 0.67 0.02 6.14 7.64 -0.08 -3.00 113.62 120.53 1h91 n SER 30 Ca 0.08 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1h91 n SER 30 Cb 0.19 -0.77 0.28 0.00 -1.01 0.00 0.00 64.21 62.90 1h91 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h91 n TYR 31 N -2.17 0.18 -1.28 1.43 9.36 -0.63 -4.87 117.16 119.18 1h91 n TYR 31 Ca 0.04 0.05 -0.29 0.00 3.32 0.00 0.00 57.90 61.02 1h91 n TYR 31 Cb 0.33 -0.41 0.19 0.00 -0.63 0.00 0.00 39.34 38.82 1h91 n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1h91 s ALA 32 N -3.05 1.10 0.00 2.98 0.00 -1.16 -4.90 121.76 116.72 1h91 s ALA 32 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1h91 s ALA 32 Cb 0.16 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1h91 s ALA 32 CO 0.68 -2.97 0.00 0.41 0.00 0.00 0.00 175.76 173.88 1h91 n GLY 33 N -1.52 -1.88 3.72 0.00 0.00 -0.02 -4.93 105.19 100.56 1h91 n GLY 33 Ca 0.09 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1h91 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h91 s VAL 34 N 0.00 5.28 -0.08 1.61 1.01 -1.26 -0.96 120.40 126.00 1h91 s VAL 34 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1h91 s VAL 34 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1h91 s VAL 34 CO 0.00 0.37 -0.19 0.26 0.00 0.00 0.00 175.10 175.53 1h91 s TRP 35 N 0.57 2.10 -0.02 5.22 0.52 -0.26 -4.67 118.94 122.39 1h91 s TRP 35 Ca 0.18 -0.81 -0.14 0.00 0.02 0.00 0.00 56.10 55.35 1h91 s TRP 35 Cb -0.13 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1h91 s TRP 35 CO 0.05 -0.34 0.39 0.71 0.02 0.00 0.00 176.95 177.78 1h91 s TYR 36 N 0.40 3.70 -0.47 -1.98 1.51 0.48 -0.71 117.35 120.27 1h91 s TYR 36 Ca -0.15 0.94 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 1h91 s TYR 36 Cb -0.16 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1h91 s TYR 36 CO 0.06 0.61 1.15 -1.14 -1.11 0.00 0.00 175.55 175.12 1h91 s GLN 37 N -0.92 3.72 0.04 -0.62 0.74 -0.82 -1.23 119.66 120.57 1h91 s GLN 37 Ca 0.23 0.59 -0.14 0.00 0.05 0.00 0.00 55.36 56.09 1h91 s GLN 37 Cb -0.16 -3.91 -0.33 0.00 1.10 0.00 0.00 33.01 29.71 1h91 s GLN 37 CO 0.12 -1.39 1.04 0.35 -0.55 0.00 0.00 175.29 174.87 1h91 h PHE 38 N 9.28 0.91 -2.87 1.67 3.57 -0.83 -3.42 116.94 125.25 1h91 h PHE 38 Ca -0.23 -0.65 -0.03 0.00 3.53 0.00 0.00 57.97 60.59 1h91 h PHE 38 Cb 1.06 -0.04 -0.14 0.00 2.79 0.00 0.00 35.95 39.62 1h91 h PHE 38 CO 0.98 1.50 0.16 0.00 -2.23 0.00 0.00 178.31 178.71 1h91 s ALA 39 N -2.67 -1.52 0.08 2.41 0.00 -1.07 -1.29 121.76 117.70 1h91 s ALA 39 Ca -0.08 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1h91 s ALA 39 Cb 0.05 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1h91 s ALA 39 CO 0.93 -0.67 0.40 -0.48 0.00 0.00 0.00 175.76 175.94 1h91 s LEU 40 N -2.45 0.45 0.44 0.00 2.34 -0.77 -0.89 118.68 117.80 1h91 s LEU 40 Ca -0.01 -0.17 -0.13 0.00 0.06 0.00 0.00 54.13 53.88 1h91 s LEU 40 Cb -0.01 1.74 -0.07 0.00 -0.56 0.00 0.00 46.19 47.30 1h91 s LEU 40 CO -0.08 -0.75 0.85 0.42 -1.06 0.00 0.00 176.35 175.73 1h91 s THR 41 N -3.10 4.68 -0.38 5.48 -4.23 -0.71 -1.62 115.64 115.76 1h91 s THR 41 Ca -0.01 0.86 -0.42 0.00 -1.18 0.00 0.00 61.69 60.94 1h91 s THR 41 Cb 0.01 -3.72 -0.17 0.00 1.34 0.00 0.00 72.50 69.96 1h91 s THR 41 CO -0.07 -0.57 1.80 -3.20 -0.54 0.00 0.00 174.62 172.05 1h91 n ASN 42 N -1.35 1.81 -3.95 3.99 5.15 -1.26 -4.67 115.26 114.97 1h91 n ASN 42 Ca 0.04 0.99 -0.29 0.00 -0.60 0.00 0.00 54.58 54.71 1h91 n ASN 42 Cb 0.54 -1.05 -0.16 0.00 -0.53 0.00 0.00 39.78 38.58 1h91 n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1h91 s ASN 43 N 4.11 3.05 0.00 1.20 3.84 -1.26 -4.85 114.94 121.04 1h91 s ASN 43 Ca 1.04 -0.74 0.22 0.00 0.21 0.00 0.00 52.86 53.60 1h91 s ASN 43 Cb -1.23 -1.09 1.20 0.00 -0.55 0.00 0.00 41.25 39.58 1h91 s ASN 43 CO 0.69 -0.15 1.79 -0.81 -2.79 0.00 0.00 177.10 175.83 1h91 n PRO 44 N 4.78 1.15 -0.01 0.43 -0.04 -1.26 -3.91 135.00 136.14 1h91 n PRO 44 Ca -0.14 -0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.13 1h91 n PRO 44 Cb 0.47 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 1h91 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h91 n TYR 45 N -0.60 0.00 -2.30 0.54 4.02 -1.26 -4.94 117.16 112.62 1h91 n TYR 45 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.63 1h91 n TYR 45 Cb 0.13 -0.28 -0.02 0.00 -0.02 0.00 0.00 39.34 39.15 1h91 n TYR 45 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1h91 s GLN 46 N -2.69 3.64 0.00 -0.72 2.00 -1.25 -4.89 119.66 115.75 1h91 s GLN 46 Ca -0.04 1.12 0.27 0.00 -2.00 0.00 0.00 55.36 54.72 1h91 s GLN 46 Cb 0.06 -4.02 0.96 0.00 0.80 0.00 0.00 33.01 30.82 1h91 s GLN 46 CO 0.45 -1.48 1.74 1.28 -0.50 0.00 0.00 175.29 176.77 1h91 n LEU 47 N 8.70 0.20 -4.41 3.68 4.77 -1.26 -4.72 117.00 123.96 1h91 n LEU 47 Ca 0.17 0.30 -0.39 0.00 -0.03 0.00 0.00 56.01 56.06 1h91 n LEU 47 Cb 0.47 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1h91 n LEU 47 CO 0.68 0.05 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.97 1h91 s ILE 48 N -2.99 4.59 -0.13 -0.08 1.01 -1.26 -3.92 121.20 118.42 1h91 s ILE 48 Ca 0.13 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 1h91 s ILE 48 Cb 0.18 -3.44 -0.26 0.00 0.01 0.00 0.00 42.46 38.96 1h91 s ILE 48 CO 0.59 -0.06 0.72 -0.08 0.00 0.00 0.00 174.94 176.11 1h91 h GLU 49 N 8.39 0.06 -5.86 2.79 4.81 -1.36 -3.47 114.58 119.93 1h91 h GLU 49 Ca -0.29 -0.10 -0.50 0.00 -0.13 0.00 0.00 59.36 58.33 1h91 h GLU 49 Cb 1.13 0.04 -0.20 0.00 0.63 0.00 0.00 28.75 30.35 1h91 h GLU 49 CO 0.64 1.05 -0.79 0.15 -0.73 0.00 0.00 179.01 179.32 1h91 s LYS 50 N -2.28 1.13 -1.36 1.92 1.02 -0.90 -4.62 119.74 114.66 1h91 s LYS 50 Ca -0.19 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 54.55 1h91 s LYS 50 Cb -0.01 -1.22 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1h91 s LYS 50 CO 0.71 0.26 0.08 0.00 -0.92 0.00 0.00 175.35 175.47 1h91 s VAL 52 N -2.84 3.40 -0.19 0.00 1.01 -1.26 -4.32 120.40 116.19 1h91 s VAL 52 Ca 0.04 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1h91 s VAL 52 Cb -0.02 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1h91 s VAL 52 CO 0.05 -0.17 -0.10 -0.60 0.00 0.00 0.00 175.10 174.28 1h91 s ARG 53 N 4.99 2.01 -0.30 2.72 3.52 -0.31 -1.94 118.95 129.64 1h91 s ARG 53 Ca 0.81 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 55.56 1h91 s ARG 53 Cb -0.30 -2.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1h91 s ARG 53 CO 0.33 -0.41 0.07 -0.80 -0.81 0.00 0.00 175.30 173.68 1h91 s ASN 54 N 1.42 5.06 -0.25 -2.12 0.01 0.12 -0.89 114.94 118.28 1h91 s ASN 54 Ca -0.01 -0.81 -0.09 0.00 -0.71 0.00 0.00 52.86 51.25 1h91 s ASN 54 Cb -0.16 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 1h91 s ASN 54 CO -0.08 -0.21 0.11 -0.70 -1.51 0.00 0.00 177.10 174.71 1h91 s GLU 55 N 1.46 3.79 -0.13 -0.60 2.12 -0.12 -1.11 118.70 124.12 1h91 s GLU 55 Ca 0.01 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 1h91 s GLU 55 Cb -0.18 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1h91 s GLU 55 CO 0.02 -0.14 -0.03 0.71 -0.54 0.00 0.00 175.26 175.28 1h91 s TYR 56 N 1.55 3.06 -0.07 5.30 1.51 -0.13 -1.16 117.35 127.40 1h91 s TYR 56 Ca 0.06 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1h91 s TYR 56 Cb -0.15 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1h91 s TYR 56 CO 0.06 0.13 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.31 1h91 s SER 57 N -0.05 2.65 -0.20 2.29 0.01 -0.54 -0.84 113.70 117.02 1h91 s SER 57 Ca 0.02 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.71 1h91 s SER 57 Cb -0.13 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 1h91 s SER 57 CO 0.02 0.15 0.18 0.12 0.41 0.00 0.00 173.24 174.12 1h91 s PHE 58 N 0.25 3.41 -0.61 2.43 5.36 -1.26 -0.92 117.98 126.64 1h91 s PHE 58 Ca -0.12 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.30 1h91 s PHE 58 Cb -0.16 -2.23 0.17 0.00 -0.34 0.00 0.00 43.02 40.46 1h91 s PHE 58 CO 0.06 0.24 1.09 -0.40 -1.46 0.00 0.00 175.22 174.74 1h91 n ASP 59 N 3.67 2.42 0.00 6.13 3.85 -0.51 -4.96 116.55 127.14 1h91 n ASP 59 Ca -0.15 -1.89 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 1h91 n ASP 59 Cb 0.52 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 1h91 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h91 n GLY 60 N 0.17 3.15 0.00 6.12 0.00 -1.26 -4.78 105.19 108.58 1h91 n GLY 60 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1h91 n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h91 n LYS 61 N -0.91 2.18 -4.17 1.61 2.85 -1.26 -5.10 118.16 113.37 1h91 n LYS 61 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1h91 n LYS 61 Cb 0.00 -0.97 -0.07 0.00 -0.65 0.00 0.00 35.03 33.34 1h91 n LYS 61 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1h91 s GLN 62 N -1.94 1.62 -0.05 -1.58 -2.07 -1.26 -4.53 119.66 109.85 1h91 s GLN 62 Ca 0.00 -1.74 0.00 0.00 -1.82 0.00 0.00 55.36 51.80 1h91 s GLN 62 Cb 0.00 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 1h91 s GLN 62 CO 0.00 -0.62 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.28 1h91 s PHE 63 N -3.61 3.06 -0.16 9.60 0.40 -0.17 -1.42 117.98 125.68 1h91 s PHE 63 Ca 0.35 0.10 -0.08 0.00 -0.60 0.00 0.00 56.93 56.70 1h91 s PHE 63 Cb 0.03 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1h91 s PHE 63 CO 0.19 0.43 0.11 0.08 0.70 0.00 0.00 175.22 176.73 1h91 s VAL 64 N -0.95 5.28 -0.04 -0.44 1.01 -0.09 -1.15 120.40 124.02 1h91 s VAL 64 Ca 0.15 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1h91 s VAL 64 Cb -0.11 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1h91 s VAL 64 CO 0.05 0.52 -0.23 -0.63 0.00 0.00 0.00 175.10 174.81 1h91 s ILE 65 N -0.22 1.85 -0.29 2.22 1.01 0.15 -1.47 121.20 124.45 1h91 s ILE 65 Ca 0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1h91 s ILE 65 Cb -0.12 -1.56 0.05 0.00 0.01 0.00 0.00 42.46 40.85 1h91 s ILE 65 CO 0.01 0.52 -0.03 -0.75 0.00 0.00 0.00 174.94 174.69 1h91 s LYS 66 N -0.29 2.35 -0.20 2.79 2.20 -0.31 -1.32 119.74 124.96 1h91 s LYS 66 Ca 0.02 -1.31 -0.09 0.00 -0.36 0.00 0.00 55.97 54.23 1h91 s LYS 66 Cb -0.11 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1h91 s LYS 66 CO 0.01 -0.62 0.10 -1.12 -0.36 0.00 0.00 175.35 173.36 1h91 s SER 67 N 1.22 5.83 0.19 1.43 0.01 -0.44 -0.94 113.70 120.99 1h91 s SER 67 Ca -0.06 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1h91 s SER 67 Cb -0.20 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1h91 s SER 67 CO -0.02 0.14 0.01 0.42 0.41 0.00 0.00 173.24 174.19 1h91 s THR 68 N 0.60 0.77 -5.00 1.44 -4.23 -0.06 -0.44 115.64 108.71 1h91 s THR 68 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1h91 s THR 68 Cb -0.12 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1h91 s THR 68 CO 0.01 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1h91 n GLY 69 N -0.30 -0.30 3.57 3.99 0.00 -1.00 -1.16 105.19 109.99 1h91 n GLY 69 Ca -0.06 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1h91 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h91 s ILE 70 N -3.23 5.04 1.08 -0.61 -1.09 -0.06 -1.42 121.20 120.91 1h91 s ILE 70 Ca 0.00 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.37 1h91 s ILE 70 Cb 0.00 -3.37 0.24 0.00 -1.58 0.00 0.00 42.46 37.74 1h91 s ILE 70 CO 0.00 0.31 1.07 0.00 -1.23 0.00 0.00 174.94 175.08 1h91 s ALA 71 N 1.48 0.30 -0.36 9.38 0.00 0.80 -1.09 121.76 132.26 1h91 s ALA 71 Ca 0.07 -0.32 0.23 0.00 0.00 0.00 0.00 51.96 51.94 1h91 s ALA 71 Cb -0.15 -3.15 1.06 0.00 0.00 0.00 0.00 23.12 20.88 1h91 s ALA 71 CO 0.07 -3.31 1.69 0.66 0.00 0.00 0.00 175.76 174.87 1h91 n TYR 72 N -4.52 0.79 0.94 0.00 4.02 -1.25 -1.38 117.16 115.75 1h91 n TYR 72 Ca 0.04 0.35 0.12 0.00 -0.01 0.00 0.00 57.90 58.40 1h91 n TYR 72 Cb 0.56 -1.06 0.30 0.00 -0.02 0.00 0.00 39.34 39.12 1h91 n TYR 72 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h91 n ASP 73 N -2.25 2.44 0.00 7.72 5.75 -1.26 -4.94 116.55 124.00 1h91 n ASP 73 Ca 0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1h91 n ASP 73 Cb 0.15 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1h91 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h91 n GLY 74 N 1.29 0.85 3.91 6.12 0.00 -0.48 -5.06 105.19 111.83 1h91 n GLY 74 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1h91 n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h91 s ASN 75 N -3.00 6.33 0.37 1.61 0.01 -1.26 -4.78 114.94 114.22 1h91 s ASN 75 Ca 0.00 0.76 -0.27 0.00 -0.71 0.00 0.00 52.86 52.63 1h91 s ASN 75 Cb 0.00 -2.17 -0.09 0.00 0.41 0.00 0.00 41.25 39.40 1h91 s ASN 75 CO 0.00 -0.40 1.29 -0.76 -1.51 0.00 0.00 177.10 175.72 1h91 s LEU 76 N -4.29 4.32 -0.00 0.60 1.02 -1.26 -0.14 118.68 118.93 1h91 s LEU 76 Ca 0.45 2.63 0.00 0.00 0.02 0.00 0.00 54.13 57.23 1h91 s LEU 76 Cb -0.10 -3.79 -0.00 0.00 0.02 0.00 0.00 46.19 42.32 1h91 s LEU 76 CO 0.38 -0.66 -0.01 -0.22 0.02 0.00 0.00 176.35 175.86 1h91 s LEU 77 N -2.11 2.00 -0.10 1.79 2.96 -0.51 -4.81 118.68 117.91 1h91 s LEU 77 Ca 0.53 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1h91 s LEU 77 Cb -0.38 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1h91 s LEU 77 CO 0.50 0.01 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.68 1h91 s LYS 78 N -0.03 3.08 -0.01 1.98 2.20 -1.26 -2.37 119.74 123.34 1h91 s LYS 78 Ca 0.00 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1h91 s LYS 78 Cb -0.00 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1h91 s LYS 78 CO -0.00 0.41 -0.24 1.03 -0.36 0.00 0.00 175.35 176.20 1h91 s ARG 79 N -0.15 1.88 -0.16 4.03 1.81 0.42 -4.99 118.95 121.78 1h91 s ARG 79 Ca 0.00 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.02 1h91 s ARG 79 Cb -0.13 -1.85 -0.05 0.00 -0.45 0.00 0.00 34.95 32.47 1h91 s ARG 79 CO 0.03 0.50 0.24 -0.80 -0.68 0.00 0.00 175.30 174.60 1h91 s ASN 80 N -0.63 6.38 0.24 0.23 0.01 -1.26 -1.33 114.94 118.58 1h91 s ASN 80 Ca 0.09 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.70 1h91 s ASN 80 Cb -0.09 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1h91 s ASN 80 CO -0.01 0.14 0.08 -0.83 -1.51 0.00 0.00 177.10 174.98 1h91 s GLY 81 N 0.31 1.63 0.01 0.66 0.00 -0.44 -1.43 107.32 108.07 1h91 s GLY 81 Ca 0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.01 1h91 s GLY 81 CO 0.03 -1.58 0.06 0.54 0.00 0.00 0.00 173.10 172.14 1h91 s LYS 82 N -4.02 0.40 -0.17 2.90 1.02 0.18 -0.67 119.74 119.39 1h91 s LYS 82 Ca 0.35 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 1h91 s LYS 82 Cb 0.07 0.16 0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1h91 s LYS 82 CO 0.12 -0.08 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.26 1h91 s LEU 83 N -1.42 1.55 0.05 3.17 2.96 -0.30 -1.30 118.68 123.40 1h91 s LEU 83 Ca -0.15 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1h91 s LEU 83 Cb -0.09 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 1h91 s LEU 83 CO 0.00 -0.21 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.06 1h91 s TYR 84 N 1.67 0.57 0.29 5.38 -0.85 -0.80 -1.00 117.35 122.61 1h91 s TYR 84 Ca 0.00 -0.87 -0.29 0.00 -0.52 0.00 0.00 57.07 55.40 1h91 s TYR 84 Cb -0.16 -0.38 -0.14 0.00 0.38 0.00 0.00 41.96 41.67 1h91 s TYR 84 CO -0.07 -0.26 1.16 -2.30 -1.52 0.00 0.00 175.55 172.56 1h91 n PRO 85 N 0.51 1.64 -1.63 -3.49 -0.02 -1.26 -0.60 135.00 130.16 1h91 n PRO 85 Ca -0.16 0.58 -0.53 0.00 -2.02 0.00 0.00 63.50 61.36 1h91 n PRO 85 Cb 0.59 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1h91 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1h91 n ASN 86 N 1.30 1.97 0.19 2.55 2.85 -0.46 -4.64 115.26 119.01 1h91 n ASN 86 Ca 0.09 1.10 0.13 0.00 -0.11 0.00 0.00 54.58 55.79 1h91 n ASN 86 Cb 0.32 -1.19 0.66 0.00 1.24 0.00 0.00 39.78 40.81 1h91 n ASN 86 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1h91 h PRO 87 N 5.47 0.00 -0.01 1.20 0.11 -1.91 -2.01 132.00 134.85 1h91 h PRO 87 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h91 h PRO 87 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h91 h PRO 87 CO 0.84 0.00 -0.07 1.19 -0.21 0.00 0.00 178.00 179.75 1h91 n PHE 88 N -2.40 0.00 -0.67 0.65 3.01 -1.26 -4.93 117.46 111.87 1h91 n PHE 88 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1h91 n PHE 88 Cb 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1h91 n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h91 n GLY 89 N 1.23 0.63 3.76 1.37 0.00 -0.75 -5.06 105.19 106.38 1h91 n GLY 89 Ca 0.17 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1h91 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h91 s GLU 90 N -0.72 3.12 -0.67 1.61 2.02 -1.26 -4.90 118.70 117.90 1h91 s GLU 90 Ca 0.00 1.66 -0.07 0.00 0.02 0.00 0.00 54.97 56.59 1h91 s GLU 90 Cb 0.00 -1.97 -0.16 0.00 0.10 0.00 0.00 34.13 32.10 1h91 s GLU 90 CO 0.00 -1.05 2.97 -0.35 0.02 0.00 0.00 175.26 176.84 1h91 n PRO 91 N -1.58 2.43 -3.93 0.39 -0.04 -1.26 -4.38 135.00 126.62 1h91 n PRO 91 Ca 0.12 -1.39 -0.08 0.00 -0.04 0.00 0.00 63.50 62.11 1h91 n PRO 91 Cb 0.51 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 1h91 n PRO 91 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1h91 s HIS 92 N 1.88 0.14 0.42 0.54 -3.43 -1.26 -4.68 115.29 108.90 1h91 s HIS 92 Ca 0.59 -0.53 -0.02 0.00 -0.80 0.00 0.00 55.06 54.30 1h91 s HIS 92 Cb 0.22 0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 31.73 1h91 s HIS 92 CO -0.02 -1.08 0.67 -0.51 -2.00 0.00 0.00 174.74 171.79 1h91 s LEU 93 N -2.97 3.78 -0.20 5.38 1.43 -1.16 -1.36 118.68 123.58 1h91 s LEU 93 Ca 0.18 0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 1h91 s LEU 93 Cb -0.03 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 1h91 s LEU 93 CO 0.08 -0.50 0.05 -0.44 0.23 0.00 0.00 176.35 175.76 1h91 s SER 94 N -4.11 5.33 -0.28 2.29 0.01 0.23 -0.99 113.70 116.19 1h91 s SER 94 Ca 0.45 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.55 1h91 s SER 94 Cb -0.10 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 1h91 s SER 94 CO 0.40 0.11 0.21 -0.51 0.41 0.00 0.00 173.24 173.86 1h91 s ILE 95 N 0.73 5.30 -0.06 1.44 1.10 0.45 -1.91 121.20 128.25 1h91 s ILE 95 Ca 0.02 0.22 0.03 0.00 -0.51 0.00 0.00 60.65 60.41 1h91 s ILE 95 Cb -0.14 -3.55 0.01 0.00 0.15 0.00 0.00 42.46 38.93 1h91 s ILE 95 CO 0.02 0.24 -0.14 -0.62 -2.11 0.00 0.00 174.94 172.33 1h91 s ASP 96 N 1.70 1.97 0.08 4.50 3.68 -0.42 -1.51 116.67 126.67 1h91 s ASP 96 Ca 0.08 -0.33 0.08 0.00 2.13 0.00 0.00 52.55 54.50 1h91 s ASP 96 Cb -0.16 -0.84 -0.03 0.00 -1.45 0.00 0.00 42.92 40.45 1h91 s ASP 96 CO 0.10 0.07 -0.21 -0.31 0.13 0.00 0.00 175.17 174.96 1h91 s TYR 97 N 0.50 1.80 0.33 -5.34 1.51 -1.23 -0.64 117.35 114.28 1h91 s TYR 97 Ca -0.13 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.24 1h91 s TYR 97 Cb -0.15 -1.03 -0.12 0.00 -0.11 0.00 0.00 41.96 40.56 1h91 s TYR 97 CO 0.04 0.15 1.52 -1.91 -1.11 0.00 0.00 175.55 174.24 1h91 n GLU 98 N 1.44 2.61 -3.57 -0.62 2.13 -0.51 -2.40 120.64 119.71 1h91 n GLU 98 Ca -0.18 0.92 -0.25 0.00 0.66 0.00 0.00 57.16 58.31 1h91 n GLU 98 Cb 0.53 -2.66 0.06 0.00 0.27 0.00 0.00 31.44 29.64 1h91 n GLU 98 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1h91 n ASN 99 N 1.34 -5.90 -0.30 4.31 5.03 -1.26 -4.92 115.26 113.56 1h91 n ASN 99 Ca 0.05 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.95 1h91 n ASN 99 Cb 0.37 -4.68 0.00 0.00 -1.02 0.00 0.00 39.78 34.45 1h91 n ASN 99 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1h91 n SER 100 N -2.87 0.00 -4.54 6.41 2.88 -1.01 -5.19 113.62 109.31 1h91 n SER 100 Ca -0.00 -0.30 -0.24 0.00 -1.33 0.00 0.00 58.87 57.00 1h91 n SER 100 Cb 0.56 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1h91 n SER 100 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1h91 n PHE 101 N 0.00 -0.53 -5.25 0.66 -1.74 -1.26 -4.78 117.46 104.56 1h91 n PHE 101 Ca 0.00 -2.11 -0.31 0.00 -0.56 0.00 0.00 57.45 54.47 1h91 n PHE 101 Cb 0.00 -0.39 -0.16 0.00 1.52 0.00 0.00 39.48 40.45 1h91 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1h91 s ALA 102 N -2.72 2.23 0.10 1.98 0.00 -1.26 -3.47 121.76 118.62 1h91 s ALA 102 Ca 0.26 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1h91 s ALA 102 Cb -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1h91 s ALA 102 CO 0.16 0.52 -0.10 0.00 0.00 0.00 0.00 175.76 176.34 1h91 s ALA 103 N -0.57 1.10 0.50 0.00 0.00 -0.57 -4.94 121.76 117.29 1h91 s ALA 103 Ca 0.09 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 1h91 s ALA 103 Cb -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 1h91 s ALA 103 CO -0.00 -0.05 1.29 -1.25 0.00 0.00 0.00 175.76 175.76 1h91 s PRO 104 N -2.84 3.45 -0.13 0.00 0.04 -1.26 -0.41 135.00 133.86 1h91 s PRO 104 Ca 0.06 2.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1h91 s PRO 104 Cb -0.02 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1h91 s PRO 104 CO -0.00 -0.89 0.07 -1.17 0.04 0.00 0.00 177.00 175.04 1h91 s LEU 105 N -3.21 0.41 -0.14 -3.56 2.96 -0.16 -4.37 118.68 110.62 1h91 s LEU 105 Ca 0.67 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1h91 s LEU 105 Cb -0.37 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1h91 s LEU 105 CO 0.44 -0.30 0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 1h91 s VAL 106 N 2.10 4.63 -0.58 1.68 1.01 -0.18 -2.99 120.40 126.07 1h91 s VAL 106 Ca 0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1h91 s VAL 106 Cb -0.15 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1h91 s VAL 106 CO -0.07 0.54 0.76 -0.63 0.00 0.00 0.00 175.10 175.71 1h91 s ILE 107 N -0.27 4.68 0.29 2.22 1.01 -1.26 -1.12 121.20 126.74 1h91 s ILE 107 Ca 0.07 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1h91 s ILE 107 Cb -0.12 -4.48 0.03 0.00 0.01 0.00 0.00 42.46 37.89 1h91 s ILE 107 CO 0.02 -1.10 1.69 -0.07 0.00 0.00 0.00 174.94 175.47 1h91 h LEU 108 N 10.31 0.21 -7.00 2.97 3.38 -1.42 -3.46 115.31 120.30 1h91 h LEU 108 Ca -0.28 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1h91 h LEU 108 Cb 1.08 -0.06 -0.25 0.00 0.09 0.00 0.00 40.66 41.52 1h91 h LEU 108 CO 1.08 0.64 0.41 -0.70 0.09 0.00 0.00 178.44 179.95 1h91 s GLU 109 N -4.06 0.55 -0.02 1.13 2.12 -1.23 -5.01 118.70 112.17 1h91 s GLU 109 Ca -0.04 0.66 -0.25 0.00 0.36 0.00 0.00 54.97 55.70 1h91 s GLU 109 Cb 0.13 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.84 1h91 s GLU 109 CO 0.77 -0.07 0.56 -0.08 -0.54 0.00 0.00 175.26 175.90 1h91 s THR 110 N 0.27 0.02 -1.01 -1.70 -1.32 -1.26 -0.35 115.64 110.28 1h91 s THR 110 Ca 0.03 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1h91 s THR 110 Cb -0.05 -0.89 0.09 0.00 -1.51 0.00 0.00 72.50 70.14 1h91 s THR 110 CO -0.05 -0.09 0.83 -0.90 -2.21 0.00 0.00 174.62 172.20 1h91 n ASP 111 N 0.93 1.86 0.00 8.08 5.75 -1.10 -5.01 116.55 127.06 1h91 n ASP 111 Ca -0.20 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1h91 n ASP 111 Cb 0.57 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1h91 n ASP 111 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1h91 n TYR 112 N 0.45 0.00 0.89 2.11 4.02 -1.26 -4.56 117.16 118.81 1h91 n TYR 112 Ca 0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.05 1h91 n TYR 112 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.45 1h91 n TYR 112 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1h91 n SER 113 N 0.64 0.87 0.00 7.72 3.41 -1.26 -4.80 113.62 120.19 1h91 n SER 113 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1h91 n SER 113 Cb 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1h91 n SER 113 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h91 n ASN 114 N -1.59 0.11 -4.02 4.04 4.13 -1.26 -4.77 115.26 111.89 1h91 n ASN 114 Ca 0.03 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.21 1h91 n ASN 114 Cb 0.36 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.51 1h91 n ASN 114 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1h91 s TYR 115 N -1.94 0.44 -0.04 3.10 -0.85 -1.26 -1.51 117.35 115.29 1h91 s TYR 115 Ca 0.00 -0.92 -0.07 0.00 -0.52 0.00 0.00 57.07 55.56 1h91 s TYR 115 Cb 0.00 -0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.07 1h91 s TYR 115 CO 0.00 -0.46 0.17 0.00 -1.52 0.00 0.00 175.55 173.74 1h91 s ALA 116 N -3.92 -0.42 -0.26 9.51 0.00 -0.60 -2.69 121.76 123.38 1h91 s ALA 116 Ca 0.09 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1h91 s ALA 116 Cb 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1h91 s ALA 116 CO -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 175.76 175.50 1h91 s LEU 118 N 1.32 3.13 -0.01 0.00 1.43 -0.28 -0.98 118.68 123.28 1h91 s LEU 118 Ca -0.01 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1h91 s LEU 118 Cb -0.17 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1h91 s LEU 118 CO -0.03 0.31 0.02 -0.47 0.23 0.00 0.00 176.35 176.41 1h91 s TYR 119 N -0.92 0.04 0.01 0.29 5.04 -0.28 -1.24 117.35 120.30 1h91 s TYR 119 Ca 0.15 0.08 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 1h91 s TYR 119 Cb -0.11 -0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.01 1h91 s TYR 119 CO 0.05 -0.06 -0.11 0.45 -1.34 0.00 0.00 175.55 174.53 1h91 s SER 120 N 0.74 1.31 -0.04 4.32 0.15 -0.30 -1.01 113.70 118.87 1h91 s SER 120 Ca -0.06 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.21 1h91 s SER 120 Cb -0.09 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1h91 s SER 120 CO -0.02 0.06 0.17 0.00 1.20 0.00 0.00 173.24 174.65 1h91 s ILE 122 N -0.38 0.79 0.06 0.00 -5.25 -0.06 -4.81 121.20 111.56 1h91 s ILE 122 Ca -0.05 -0.38 -0.17 0.00 -0.99 0.00 0.00 60.65 59.07 1h91 s ILE 122 Cb -0.03 -0.70 -0.06 0.00 2.95 0.00 0.00 42.46 44.62 1h91 s ILE 122 CO 0.01 0.24 0.51 -1.81 -1.79 0.00 0.00 174.94 172.10 1h91 s ASP 123 N 0.10 6.93 0.18 4.36 1.01 -1.26 -1.09 116.67 126.89 1h91 s ASP 123 Ca -0.02 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.40 1h91 s ASP 123 Cb -0.08 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1h91 s ASP 123 CO 0.00 0.26 0.29 -0.31 0.21 0.00 0.00 175.17 175.63 1h91 s TYR 124 N -1.17 3.45 -1.23 4.23 1.51 -0.50 -4.98 117.35 118.66 1h91 s TYR 124 Ca 0.29 0.07 0.22 0.00 -1.01 0.00 0.00 57.07 56.63 1h91 s TYR 124 Cb -0.18 -1.62 1.03 0.00 -0.11 0.00 0.00 41.96 41.08 1h91 s TYR 124 CO 0.17 0.50 1.71 0.27 -1.11 0.00 0.00 175.55 177.08 1h91 n ASN 125 N -0.79 0.00 -1.41 2.29 0.23 -1.26 -2.92 115.26 111.41 1h91 n ASN 125 Ca -0.08 0.21 0.10 0.00 -0.53 0.00 0.00 54.58 54.29 1h91 n ASN 125 Cb 0.55 -0.38 0.33 0.00 -2.08 0.00 0.00 39.78 38.19 1h91 n ASN 125 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1h91 n PHE 126 N -1.38 1.16 -0.42 -2.53 1.16 -1.26 -4.95 117.46 109.24 1h91 n PHE 126 Ca 0.08 -0.52 0.00 0.00 -1.87 0.00 0.00 57.45 55.14 1h91 n PHE 126 Cb 0.21 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 1h91 n PHE 126 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1h91 n GLY 127 N 1.39 0.77 3.97 4.97 0.00 -1.15 -5.02 105.19 110.13 1h91 n GLY 127 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1h91 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h91 s TYR 128 N -2.23 2.23 0.18 1.61 4.12 -1.26 -1.22 117.35 120.78 1h91 s TYR 128 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.07 56.52 1h91 s TYR 128 Cb 0.00 -2.23 -0.04 0.00 -1.52 0.00 0.00 41.96 38.17 1h91 s TYR 128 CO 0.00 -0.57 0.07 -3.38 0.02 0.00 0.00 175.55 171.68 1h91 s HIS 129 N -2.52 1.13 -0.05 2.71 -3.43 -0.40 -1.40 115.29 111.33 1h91 s HIS 129 Ca 0.53 -1.20 0.05 0.00 -0.80 0.00 0.00 55.06 53.63 1h91 s HIS 129 Cb -0.06 -0.63 -0.00 0.00 -1.43 0.00 0.00 32.58 30.46 1h91 s HIS 129 CO 0.32 -0.44 -0.19 -1.12 -2.00 0.00 0.00 174.74 171.32 1h91 s SER 130 N -3.15 2.35 0.15 7.38 0.01 -0.25 -0.79 113.70 119.40 1h91 s SER 130 Ca 0.30 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.22 1h91 s SER 130 Cb 0.07 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 1h91 s SER 130 CO 0.07 0.17 -0.10 1.51 0.41 0.00 0.00 173.24 175.29 1h91 s ASP 131 N 0.01 1.86 -0.08 2.44 1.47 -1.24 -0.88 116.67 120.24 1h91 s ASP 131 Ca -0.04 -1.01 -0.03 0.00 1.18 0.00 0.00 52.55 52.64 1h91 s ASP 131 Cb -0.12 -0.02 0.04 0.00 -0.34 0.00 0.00 42.92 42.48 1h91 s ASP 131 CO 0.03 -0.32 0.07 -0.36 0.68 0.00 0.00 175.17 175.27 1h91 s PHE 132 N -3.30 0.11 0.10 2.11 0.40 -0.53 -4.93 117.98 111.95 1h91 s PHE 132 Ca 0.17 0.06 0.09 0.00 -0.60 0.00 0.00 56.93 56.65 1h91 s PHE 132 Cb 0.02 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 1h91 s PHE 132 CO 0.01 -0.30 -0.23 -1.12 0.70 0.00 0.00 175.22 174.28 1h91 s SER 133 N 2.16 2.83 0.01 1.36 0.01 -1.26 -1.15 113.70 117.66 1h91 s SER 133 Ca 0.04 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1h91 s SER 133 Cb -0.13 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 1h91 s SER 133 CO -0.05 0.12 -0.02 -0.36 0.41 0.00 0.00 173.24 173.34 1h91 s PHE 134 N -1.07 0.20 -0.22 2.43 0.08 -0.37 -1.74 117.98 117.29 1h91 s PHE 134 Ca 0.09 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 1h91 s PHE 134 Cb -0.10 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1h91 s PHE 134 CO 0.04 -0.10 -0.02 0.42 -0.10 0.00 0.00 175.22 175.46 1h91 s ILE 135 N -0.84 3.58 0.01 0.64 1.01 -0.07 -1.13 121.20 124.39 1h91 s ILE 135 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1h91 s ILE 135 Cb -0.06 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1h91 s ILE 135 CO -0.00 0.41 0.08 -0.36 0.00 0.00 0.00 174.94 175.07 1h91 s PHE 136 N 1.41 3.26 0.05 3.97 2.99 0.10 -0.08 117.98 129.68 1h91 s PHE 136 Ca 0.05 0.17 0.04 0.00 0.00 0.00 0.00 56.93 57.19 1h91 s PHE 136 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 43.02 41.14 1h91 s PHE 136 CO -0.01 0.54 -0.13 0.45 -0.00 0.00 0.00 175.22 176.07 1h91 s SER 137 N -1.88 1.48 0.20 1.36 0.15 -0.37 -1.56 113.70 113.07 1h91 s SER 137 Ca 0.24 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.59 1h91 s SER 137 Cb -0.12 -0.05 0.91 0.00 -1.71 0.00 0.00 66.02 65.05 1h91 s SER 137 CO 0.16 -0.06 1.70 0.54 1.20 0.00 0.00 173.24 176.77 1h91 n ARG 138 N 1.56 0.17 -4.53 5.44 5.12 -0.57 -0.39 116.66 123.47 1h91 n ARG 138 Ca -0.20 0.33 -0.25 0.00 -1.93 0.00 0.00 57.85 55.80 1h91 n ARG 138 Cb 0.55 -1.78 -0.10 0.00 -1.16 0.00 0.00 32.46 29.97 1h91 n ARG 138 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1h91 s SER 139 N -4.04 2.87 0.27 0.55 1.04 -1.26 -4.80 113.70 108.33 1h91 s SER 139 Ca 0.06 -1.50 0.04 0.00 0.48 0.00 0.00 55.95 55.04 1h91 s SER 139 Cb 0.10 0.14 0.37 0.00 0.10 0.00 0.00 66.02 66.73 1h91 s SER 139 CO 0.42 -0.72 1.65 0.00 0.98 0.00 0.00 173.24 175.57 1h91 h ALA 140 N 1.89 1.01 -1.76 5.32 0.00 -1.97 -3.43 119.26 120.31 1h91 h ALA 140 Ca -0.40 -0.44 -0.44 0.00 0.00 0.00 0.00 54.91 53.63 1h91 h ALA 140 Cb 1.26 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.99 1h91 h ALA 140 CO 0.67 0.63 -0.13 -0.80 0.00 0.00 0.00 179.25 179.62 1h91 s ASN 141 N -6.88 5.51 -0.05 0.00 0.01 -1.26 -4.72 114.94 107.55 1h91 s ASN 141 Ca -0.05 -0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1h91 s ASN 141 Cb 0.13 -0.94 0.04 0.00 0.41 0.00 0.00 41.25 40.89 1h91 s ASN 141 CO 0.79 -0.92 0.10 -0.22 -1.51 0.00 0.00 177.10 175.34 1h91 s LEU 142 N -4.58 0.81 0.60 0.60 2.96 -1.26 -4.82 118.68 112.99 1h91 s LEU 142 Ca 0.54 0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.47 1h91 s LEU 142 Cb -0.10 0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.75 1h91 s LEU 142 CO 0.36 -0.15 1.22 0.00 -1.32 0.00 0.00 176.35 176.46 1h91 s ALA 143 N 1.19 2.53 0.30 5.97 0.00 -1.26 -4.79 121.76 125.70 1h91 s ALA 143 Ca -0.09 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1h91 s ALA 143 Cb -0.12 -3.46 0.73 0.00 0.00 0.00 0.00 23.12 20.26 1h91 s ALA 143 CO -0.05 -1.20 1.77 -0.44 0.00 0.00 0.00 175.76 175.84 1h91 h ASP 144 N 0.85 0.77 -0.68 0.00 3.45 -2.01 -1.56 116.42 117.24 1h91 h ASP 144 Ca -0.50 0.10 0.06 0.00 0.43 0.00 0.00 57.03 57.11 1h91 h ASP 144 Cb 1.30 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.99 1h91 h ASP 144 CO 0.55 0.27 0.45 0.06 -1.57 0.00 0.00 179.24 179.00 1h91 h GLN 145 N 0.75 0.68 0.16 3.56 3.07 -1.99 -0.75 115.11 120.60 1h91 h GLN 145 Ca 0.57 -0.04 -0.31 0.00 0.09 0.00 0.00 58.65 58.96 1h91 h GLN 145 Cb 0.89 -0.15 0.03 0.00 0.08 0.00 0.00 27.48 28.32 1h91 h GLN 145 CO -0.38 0.45 -1.32 1.88 0.09 0.00 0.00 178.83 179.54 1h91 h TYR 146 N 0.71 0.99 -0.78 0.06 0.99 -1.66 -2.35 116.97 114.93 1h91 h TYR 146 Ca 0.29 -0.66 0.13 0.00 2.00 0.00 0.00 58.73 60.50 1h91 h TYR 146 Cb 0.24 -0.07 -0.09 0.00 1.00 0.00 0.00 36.73 37.81 1h91 h TYR 146 CO -0.00 1.50 0.36 0.28 -0.00 0.00 0.00 178.16 180.30 1h91 h VAL 147 N 0.23 0.71 -0.15 -2.88 2.07 -1.06 -1.98 116.25 113.19 1h91 h VAL 147 Ca -0.21 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1h91 h VAL 147 Cb 2.00 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1h91 h VAL 147 CO 0.25 0.10 -0.42 0.11 0.02 0.00 0.00 177.57 177.62 1h91 h LYS 148 N 0.53 0.36 -0.29 1.57 1.57 -1.10 -0.83 116.57 118.37 1h91 h LYS 148 Ca 0.42 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1h91 h LYS 148 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1h91 h LYS 148 CO -0.37 0.72 0.05 0.87 -0.57 0.00 0.00 179.45 180.16 1h91 h LYS 149 N 0.30 0.48 -0.87 3.15 1.57 -0.82 -1.80 116.57 118.58 1h91 h LYS 149 Ca 0.02 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1h91 h LYS 149 Cb 0.87 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1h91 h LYS 149 CO 0.07 0.58 0.48 0.00 -0.57 0.00 0.00 179.45 180.01 1h91 h GLU 151 N 1.21 0.63 -0.43 0.00 4.81 -0.91 -0.84 114.58 119.04 1h91 h GLU 151 Ca 0.31 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1h91 h GLU 151 Cb 0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1h91 h GLU 151 CO -0.05 0.42 -0.12 0.00 -0.73 0.00 0.00 179.01 178.52 1h91 h ALA 152 N 1.33 0.97 -0.52 2.92 0.00 -1.16 -1.20 119.26 121.61 1h91 h ALA 152 Ca 0.28 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1h91 h ALA 152 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1h91 h ALA 152 CO -0.17 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1h91 h ALA 153 N 1.15 0.89 -0.35 0.00 0.00 -0.34 -1.30 119.26 119.31 1h91 h ALA 153 Ca 0.12 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1h91 h ALA 153 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1h91 h ALA 153 CO 0.04 0.64 -0.41 0.74 0.00 0.00 0.00 179.25 180.26 1h91 h PHE 154 N 0.85 1.06 -0.35 0.00 -1.00 -1.11 -3.08 116.94 113.32 1h91 h PHE 154 Ca 0.14 -0.33 -0.02 0.00 2.81 0.00 0.00 57.97 60.57 1h91 h PHE 154 Cb 0.60 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1h91 h PHE 154 CO 0.04 1.14 0.11 0.87 -1.61 0.00 0.00 178.31 178.86 1h91 h LYS 155 N 0.71 0.50 0.00 1.51 1.57 -1.09 -1.59 116.57 118.18 1h91 h LYS 155 Ca 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1h91 h LYS 155 Cb 1.00 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1h91 h LYS 155 CO 0.10 0.44 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.42 1h91 h ASN 156 N 0.49 0.00 -0.28 0.86 -1.24 -1.14 -1.77 115.58 112.50 1h91 h ASN 156 Ca 0.12 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1h91 h ASN 156 Cb 0.15 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1h91 h ASN 156 CO -0.01 0.03 0.00 2.30 -1.29 0.00 0.00 177.43 178.46 1h91 n ILE 157 N -3.22 2.32 -2.32 2.57 -5.35 -0.67 -4.97 119.36 107.73 1h91 n ILE 157 Ca -0.01 -1.87 -0.20 0.00 -0.27 0.00 0.00 62.75 60.40 1h91 n ILE 157 Cb 0.19 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 37.82 1h91 n ILE 157 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1h91 n ASN 158 N -0.46 -5.60 -4.72 7.28 3.02 -0.67 -4.84 115.26 109.27 1h91 n ASN 158 Ca 0.22 0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1h91 n ASN 158 Cb 0.92 -4.65 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 1h91 n ASN 158 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h91 s VAL 159 N -2.96 4.80 -0.48 2.41 1.01 -0.80 -5.00 120.40 119.38 1h91 s VAL 159 Ca 0.00 1.99 -0.28 0.00 0.00 0.00 0.00 61.98 63.69 1h91 s VAL 159 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1h91 s VAL 159 CO 0.00 0.21 1.51 -0.62 0.00 0.00 0.00 175.10 176.21 1h91 s ASP 160 N 0.71 6.08 0.04 3.32 -1.08 -1.26 -4.09 116.67 120.40 1h91 s ASP 160 Ca 0.49 0.64 0.21 0.00 -0.52 0.00 0.00 52.55 53.37 1h91 s ASP 160 Cb -0.21 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.60 1h91 s ASP 160 CO 0.27 -1.67 1.68 0.35 0.52 0.00 0.00 175.17 176.32 1h91 n THR 161 N 7.06 0.60 0.37 1.71 -2.24 -1.26 -1.78 114.28 118.74 1h91 n THR 161 Ca 0.16 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 1h91 n THR 161 Cb 0.49 -0.81 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 1h91 n THR 161 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h91 n THR 162 N -1.63 1.20 0.45 4.28 -2.24 -1.26 -2.25 114.28 112.82 1h91 n THR 162 Ca 0.05 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 1h91 n THR 162 Cb 0.26 -1.15 0.48 0.00 -2.10 0.00 0.00 70.33 67.81 1h91 n THR 162 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1h91 h ARG 163 N 0.00 0.00 -6.84 -0.78 3.08 -1.76 -3.45 114.38 104.63 1h91 h ARG 163 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1h91 h ARG 163 Cb 0.20 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.29 1h91 h ARG 163 CO 0.00 0.00 0.56 -0.06 -1.07 0.00 0.00 179.97 179.40 1h91 s PHE 164 N -3.28 3.30 -0.03 3.04 0.08 -0.95 -4.30 117.98 115.83 1h91 s PHE 164 Ca 0.06 1.54 0.07 0.00 0.12 0.00 0.00 56.93 58.72 1h91 s PHE 164 Cb 0.10 -3.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.04 1h91 s PHE 164 CO 0.47 -1.25 -0.24 0.08 -0.10 0.00 0.00 175.22 174.18 1h91 s VAL 165 N -1.11 1.91 0.36 -0.44 1.01 -0.64 -4.94 120.40 116.55 1h91 s VAL 165 Ca 0.47 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 1h91 s VAL 165 Cb -0.36 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1h91 s VAL 165 CO 0.47 0.54 1.04 -0.75 0.00 0.00 0.00 175.10 176.40 1h91 s LYS 166 N -0.39 4.36 -0.01 2.72 2.20 -1.26 -1.85 119.74 125.50 1h91 s LYS 166 Ca 0.04 1.56 -0.14 0.00 -0.36 0.00 0.00 55.97 57.07 1h91 s LYS 166 Cb -0.11 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1h91 s LYS 166 CO 0.01 0.02 0.39 0.99 -0.36 0.00 0.00 175.35 176.40 1h91 s THR 167 N -1.52 5.07 0.09 3.43 2.01 -0.41 -4.94 115.64 119.37 1h91 s THR 167 Ca 0.53 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 63.02 1h91 s THR 167 Cb -0.24 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 1h91 s THR 167 CO 0.30 0.57 1.83 -0.69 -0.69 0.00 0.00 174.62 175.95 1h91 s VAL 168 N -0.99 2.72 0.17 3.82 1.01 -1.26 -4.88 120.40 120.99 1h91 s VAL 168 Ca 0.23 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1h91 s VAL 168 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1h91 s VAL 168 CO 0.12 -0.00 0.16 -1.10 0.00 0.00 0.00 175.10 174.29 1h91 s GLN 169 N 3.12 1.11 0.00 2.72 -1.52 -1.26 -0.65 119.66 123.17 1h91 s GLN 169 Ca 0.81 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1h91 s GLN 169 Cb -0.44 0.30 0.00 0.00 -0.22 0.00 0.00 33.01 32.65 1h91 s GLN 169 CO 0.37 -0.37 0.00 0.41 -0.25 0.00 0.00 175.29 175.45 1h91 n GLY 170 N -0.20 -0.27 0.31 3.09 0.00 -1.26 -4.71 105.19 102.14 1h91 n GLY 170 Ca -0.03 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.15 1h91 n GLY 170 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h91 h SER 171 N 0.00 0.00 0.37 1.61 4.64 -2.01 0.95 113.55 119.11 1h91 h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h91 h SER 171 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1h91 h SER 171 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1h91 n SER 172 N -4.18 0.00 -4.74 4.97 3.41 -1.26 -4.82 113.62 107.01 1h91 n SER 172 Ca -0.00 -0.18 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 1h91 n SER 172 Cb 0.22 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1h91 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h91 n PRO 174 N 3.42 3.72 0.03 0.00 -0.04 -1.26 -4.72 135.00 136.15 1h91 n PRO 174 Ca -0.07 -2.45 0.10 0.00 -0.04 0.00 0.00 63.50 61.03 1h91 n PRO 174 Cb 0.52 -2.63 0.53 0.00 -0.04 0.00 0.00 33.50 31.88 1h91 n PRO 174 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1h91 h TYR 175 N 4.55 0.30 0.00 0.54 0.99 -1.94 -1.71 116.97 119.71 1h91 h TYR 175 Ca 0.73 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 61.36 1h91 h TYR 175 Cb 0.45 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.06 1h91 h TYR 175 CO 1.77 0.17 -0.50 -0.44 -0.00 0.00 0.00 178.16 179.16 1h91 h ASP 176 N 0.31 0.00 -0.21 3.88 3.45 -2.00 -2.36 116.42 119.47 1h91 h ASP 176 Ca 0.17 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.57 1h91 h ASP 176 Cb 0.29 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1h91 h ASP 176 CO -0.04 0.50 -0.09 0.74 -1.57 0.00 0.00 179.24 178.78 1h91 h THR 177 N 0.00 1.30 -0.67 0.35 2.02 -1.74 -3.24 112.91 110.94 1h91 h THR 177 Ca -0.01 -1.14 0.10 0.00 0.77 0.00 0.00 66.41 66.13 1h91 h THR 177 Cb 1.09 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 1h91 h THR 177 CO 0.07 0.35 0.44 1.56 0.37 0.00 0.00 175.52 178.31 1h91 h GLN 178 N 0.14 0.50 -0.00 6.66 4.20 -0.90 0.16 115.11 125.87 1h91 h GLN 178 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1h91 h GLN 178 Cb 0.58 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1h91 h GLN 178 CO 0.03 0.33 -0.10 0.36 -0.67 0.00 0.00 178.83 178.78 1h91 n LYS 179 N -4.48 0.35 0.05 1.46 2.85 -0.93 -1.55 118.16 115.90 1h91 n LYS 179 Ca 0.11 -0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.41 1h91 n LYS 179 Cb 0.36 -1.50 0.50 0.00 -0.65 0.00 0.00 35.03 33.74 1h91 n LYS 179 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1h91 n THR 180 N -1.25 0.40 -0.22 0.58 -2.24 0.55 -5.12 114.28 106.97 1h91 n THR 180 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1h91 n THR 180 Cb 0.29 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1h91 n THR 180 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02