#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4l s GLN 2 N 0.00 1.03 0.13 5.55 -0.21 -1.26 -1.68 119.66 123.21 1b4l s GLN 2 Ca 0.00 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 54.42 1b4l s GLN 2 Cb 0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 1b4l s GLN 2 CO 0.00 0.27 0.16 0.00 -2.12 0.00 0.00 175.29 173.59 1b4l s ALA 3 N -0.99 0.28 0.01 6.09 0.00 -0.44 -1.49 121.76 125.23 1b4l s ALA 3 Ca 0.03 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1b4l s ALA 3 Cb -0.09 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1b4l s ALA 3 CO 0.02 -0.54 0.34 0.54 0.00 0.00 0.00 175.76 176.12 1b4l s VAL 4 N -3.97 0.06 -0.04 0.00 0.11 -0.22 -0.39 120.40 115.95 1b4l s VAL 4 Ca 0.16 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1b4l s VAL 4 Cb 0.05 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1b4l s VAL 4 CO -0.03 -0.28 -0.05 0.00 -3.33 0.00 0.00 175.10 171.41 1b4l s ALA 5 N -1.81 0.68 -0.33 1.54 0.00 0.41 -0.94 121.76 121.31 1b4l s ALA 5 Ca -0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 1b4l s ALA 5 Cb -0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1b4l s ALA 5 CO 0.02 0.02 0.18 0.08 0.00 0.00 0.00 175.76 176.05 1b4l s VAL 6 N 0.77 4.71 -0.27 0.00 1.01 -1.26 -1.02 120.40 124.34 1b4l s VAL 6 Ca -0.11 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 1b4l s VAL 6 Cb -0.13 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1b4l s VAL 6 CO 0.00 0.00 0.96 -0.76 0.00 0.00 0.00 175.10 175.30 1b4l s LEU 7 N 1.62 4.05 0.12 3.92 1.43 -0.41 -3.82 118.68 125.59 1b4l s LEU 7 Ca 0.04 1.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 1b4l s LEU 7 Cb -0.17 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1b4l s LEU 7 CO 0.07 -0.69 -0.13 -0.54 0.23 0.00 0.00 176.35 175.29 1b4l s LYS 8 N 3.21 1.01 0.08 1.70 1.02 -0.03 -2.77 119.74 123.95 1b4l s LYS 8 Ca 0.40 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1b4l s LYS 8 Cb -0.14 -0.85 0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1b4l s LYS 8 CO 0.10 0.16 0.53 0.41 -0.92 0.00 0.00 175.35 175.63 1b4l n GLY 9 N 0.50 0.87 0.72 -3.33 0.00 -1.25 -1.96 105.19 100.73 1b4l n GLY 9 Ca -0.15 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1b4l n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4l n ASP 10 N -0.88 3.48 -0.74 1.61 8.00 -1.25 -4.54 116.55 122.22 1b4l n ASP 10 Ca -0.01 -2.85 0.07 0.00 0.71 0.00 0.00 54.79 52.71 1b4l n ASP 10 Cb 0.29 -0.47 0.17 0.00 -0.02 0.00 0.00 41.12 41.10 1b4l n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4l n ALA 11 N -0.49 2.22 -0.58 2.24 0.00 -1.26 -4.96 120.51 117.68 1b4l n ALA 11 Ca 0.18 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1b4l n ALA 11 Cb 0.77 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1b4l n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4l n GLY 12 N 0.69 0.77 3.84 0.00 0.00 -1.26 -5.04 105.19 104.19 1b4l n GLY 12 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1b4l n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4l s VAL 13 N -2.87 5.43 0.09 1.61 1.01 -1.26 -4.17 120.40 120.24 1b4l s VAL 13 Ca 0.00 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1b4l s VAL 13 Cb 0.00 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1b4l s VAL 13 CO 0.00 0.57 0.78 -0.94 0.00 0.00 0.00 175.10 175.51 1b4l s SER 14 N -0.71 -0.41 0.00 3.32 1.04 -0.67 -3.93 113.70 112.34 1b4l s SER 14 Ca 0.15 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1b4l s SER 14 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1b4l s SER 14 CO 0.04 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1b4l n GLY 15 N -0.33 -1.27 2.95 7.32 0.00 -1.11 -0.33 105.19 112.42 1b4l n GLY 15 Ca -0.11 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1b4l n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4l s VAL 16 N -2.99 0.45 -0.11 1.61 1.01 -0.29 -1.29 120.40 118.78 1b4l s VAL 16 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1b4l s VAL 16 Cb 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1b4l s VAL 16 CO 0.00 0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 1b4l s VAL 17 N 0.07 1.28 0.04 2.92 1.01 -0.19 -1.36 120.40 124.17 1b4l s VAL 17 Ca -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1b4l s VAL 17 Cb -0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1b4l s VAL 17 CO -0.00 0.40 -0.06 -0.54 0.00 0.00 0.00 175.10 174.90 1b4l s LYS 18 N 1.29 2.45 0.07 2.72 1.02 0.27 -0.44 119.74 127.12 1b4l s LYS 18 Ca -0.01 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.23 1b4l s LYS 18 Cb -0.14 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1b4l s LYS 18 CO -0.05 0.57 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.71 1b4l s PHE 19 N -1.10 1.58 -0.21 3.18 0.40 0.48 -1.20 117.98 121.11 1b4l s PHE 19 Ca 0.19 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1b4l s PHE 19 Cb -0.11 -0.90 0.08 0.00 0.51 0.00 0.00 43.02 42.60 1b4l s PHE 19 CO 0.11 0.12 0.48 -2.00 0.70 0.00 0.00 175.22 174.62 1b4l s GLU 20 N -1.56 0.44 -0.12 0.44 2.56 -0.77 -1.32 118.70 118.36 1b4l s GLU 20 Ca 0.04 0.98 -0.05 0.00 0.00 0.00 0.00 54.97 55.94 1b4l s GLU 20 Cb -0.09 0.18 0.05 0.00 2.00 0.00 0.00 34.13 36.27 1b4l s GLU 20 CO 0.03 -0.19 0.26 -1.14 -0.56 0.00 0.00 175.26 173.66 1b4l s GLN 21 N 1.91 0.20 -0.06 4.30 0.74 -0.68 -0.95 119.66 125.12 1b4l s GLN 21 Ca -0.07 0.61 -0.24 0.00 0.05 0.00 0.00 55.36 55.71 1b4l s GLN 21 Cb -0.09 -0.09 -0.28 0.00 1.10 0.00 0.00 33.01 33.65 1b4l s GLN 21 CO -0.14 -0.20 0.92 0.00 -0.55 0.00 0.00 175.29 175.32 1b4l h ALA 22 N 7.52 -0.02 -2.43 1.58 0.00 -1.84 0.22 119.26 124.28 1b4l h ALA 22 Ca -0.33 -0.59 -0.27 0.00 0.00 0.00 0.00 54.91 53.72 1b4l h ALA 22 Cb 1.14 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1b4l h ALA 22 CO 0.30 0.23 -0.63 -1.54 0.00 0.00 0.00 179.25 177.62 1b4l s SER 23 N -6.65 0.68 0.32 0.00 1.04 -1.26 -4.47 113.70 103.36 1b4l s SER 23 Ca -0.15 -1.33 0.11 0.00 0.48 0.00 0.00 55.95 55.06 1b4l s SER 23 Cb 0.00 0.26 0.54 0.00 0.10 0.00 0.00 66.02 66.92 1b4l s SER 23 CO 0.78 -0.75 1.73 -0.08 0.98 0.00 0.00 173.24 175.90 1b4l h GLU 24 N 2.59 0.05 0.00 4.02 4.81 -1.92 -2.80 114.58 121.33 1b4l h GLU 24 Ca -0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1b4l h GLU 24 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1b4l h GLU 24 CO 0.58 0.51 0.00 0.66 -0.73 0.00 0.00 179.01 180.03 1b4l h SER 25 N 0.04 0.00 -4.13 1.04 4.64 -1.97 -3.46 113.55 109.71 1b4l h SER 25 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1b4l h SER 25 Cb 0.84 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.96 1b4l h SER 25 CO 0.06 0.00 0.38 -1.61 -0.87 0.00 0.00 176.83 174.79 1b4l s GLU 26 N -3.21 3.74 0.62 4.77 0.41 -1.06 -5.04 118.70 118.94 1b4l s GLU 26 Ca 0.07 1.22 -0.14 0.00 -0.41 0.00 0.00 54.97 55.71 1b4l s GLU 26 Cb 0.06 -2.09 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 1b4l s GLU 26 CO 0.65 -0.46 1.05 -1.25 -0.49 0.00 0.00 175.26 174.76 1b4l s PRO 27 N -3.60 3.22 -0.09 0.39 0.04 -1.26 -4.84 135.00 128.86 1b4l s PRO 27 Ca 0.64 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1b4l s PRO 27 Cb -0.14 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1b4l s PRO 27 CO 0.26 -0.88 0.32 0.99 0.04 0.00 0.00 177.00 177.73 1b4l s THR 28 N -2.67 5.23 -0.23 1.26 2.01 -0.07 -4.71 115.64 116.45 1b4l s THR 28 Ca 0.61 0.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.09 1b4l s THR 28 Cb -0.15 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1b4l s THR 28 CO 0.43 0.51 0.37 -0.89 -0.69 0.00 0.00 174.62 174.35 1b4l s THR 29 N -0.43 5.20 -0.19 -0.82 2.01 -0.13 -0.09 115.64 121.19 1b4l s THR 29 Ca 0.20 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 62.78 1b4l s THR 29 Cb -0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1b4l s THR 29 CO 0.08 0.22 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.51 1b4l s VAL 30 N 1.58 3.68 0.02 3.82 1.01 0.10 -1.85 120.40 128.76 1b4l s VAL 30 Ca 0.17 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1b4l s VAL 30 Cb -0.15 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1b4l s VAL 30 CO 0.08 0.45 -0.24 -0.44 0.00 0.00 0.00 175.10 174.95 1b4l s SER 31 N 0.95 2.87 0.00 3.32 0.01 -0.34 -1.15 113.70 119.35 1b4l s SER 31 Ca 0.00 -0.51 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 1b4l s SER 31 Cb -0.15 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.82 1b4l s SER 31 CO 0.01 0.25 0.27 -0.72 0.41 0.00 0.00 173.24 173.46 1b4l s TYR 32 N -0.71 -0.11 -0.21 2.43 -0.85 -0.09 -0.56 117.35 117.25 1b4l s TYR 32 Ca 0.10 0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 56.72 1b4l s TYR 32 Cb -0.09 0.06 0.08 0.00 0.38 0.00 0.00 41.96 42.39 1b4l s TYR 32 CO 0.01 -0.39 0.14 -2.00 -1.52 0.00 0.00 175.55 171.79 1b4l s GLU 33 N -1.60 0.14 -0.05 -3.49 2.12 -0.46 -2.20 118.70 113.16 1b4l s GLU 33 Ca -0.12 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1b4l s GLU 33 Cb -0.05 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.88 1b4l s GLU 33 CO 0.02 -0.76 -0.17 0.42 -0.54 0.00 0.00 175.26 174.23 1b4l s ILE 34 N 2.19 1.45 0.29 -3.70 1.01 0.43 -1.14 121.20 121.73 1b4l s ILE 34 Ca 0.05 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1b4l s ILE 34 Cb -0.16 -1.25 -0.06 0.00 0.01 0.00 0.00 42.46 41.00 1b4l s ILE 34 CO -0.17 0.42 -0.04 0.00 0.00 0.00 0.00 174.94 175.15 1b4l s ALA 35 N 0.10 2.33 0.00 9.38 0.00 0.55 0.15 121.76 134.28 1b4l s ALA 35 Ca -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1b4l s ALA 35 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1b4l s ALA 35 CO 0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1b4l n GLY 36 N -0.60 0.76 3.94 0.00 0.00 -1.20 -1.67 105.19 106.43 1b4l n GLY 36 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1b4l n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b4l s ASN 37 N -2.44 4.53 0.38 1.61 0.01 -0.96 -4.45 114.94 113.62 1b4l s ASN 37 Ca 0.00 0.26 -0.27 0.00 -0.71 0.00 0.00 52.86 52.14 1b4l s ASN 37 Cb 0.00 -0.80 -0.09 0.00 0.41 0.00 0.00 41.25 40.77 1b4l s ASN 37 CO 0.00 -1.77 1.31 -0.44 -1.51 0.00 0.00 177.10 174.69 1b4l s SER 38 N -4.60 6.49 0.42 -1.22 0.01 -1.26 -4.32 113.70 109.22 1b4l s SER 38 Ca 0.63 2.67 -0.23 0.00 1.31 0.00 0.00 55.95 60.33 1b4l s SER 38 Cb -0.09 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.41 1b4l s SER 38 CO 0.45 -0.73 1.08 -2.16 0.41 0.00 0.00 173.24 172.29 1b4l s PRO 39 N -2.08 4.01 -1.18 12.44 0.04 -1.26 -4.15 135.00 142.82 1b4l s PRO 39 Ca 0.54 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1b4l s PRO 39 Cb -0.39 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 1b4l s PRO 39 CO 0.51 -0.29 0.74 0.09 0.04 0.00 0.00 177.00 178.09 1b4l n ASN 40 N -0.28 -4.57 -3.32 6.66 3.02 0.86 -4.92 115.26 112.71 1b4l n ASN 40 Ca 0.06 -1.02 -0.16 0.00 -0.03 0.00 0.00 54.58 53.42 1b4l n ASN 40 Cb 0.49 -3.29 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 1b4l n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4l s ALA 41 N -3.53 1.21 -0.06 5.41 0.00 -1.20 -4.94 121.76 118.66 1b4l s ALA 41 Ca 0.41 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1b4l s ALA 41 Cb -0.15 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 24.24 1b4l s ALA 41 CO 0.87 -0.73 -0.19 -1.21 0.00 0.00 0.00 175.76 174.49 1b4l s GLU 42 N -3.25 2.58 -0.05 0.00 2.02 -1.26 -1.36 118.70 117.39 1b4l s GLU 42 Ca 0.35 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1b4l s GLU 42 Cb 0.01 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.97 1b4l s GLU 42 CO 0.23 0.48 -0.06 1.03 0.02 0.00 0.00 175.26 176.95 1b4l s ARG 43 N -0.37 1.03 0.26 1.61 1.81 -0.62 -3.60 118.95 119.06 1b4l s ARG 43 Ca 0.03 -0.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.56 1b4l s ARG 43 Cb -0.12 -0.98 -0.12 0.00 -0.45 0.00 0.00 34.95 33.28 1b4l s ARG 43 CO 0.02 -0.06 1.57 0.41 -0.68 0.00 0.00 175.30 176.56 1b4l n GLY 44 N 4.01 1.21 2.87 -3.53 0.00 -0.60 -0.73 105.19 108.42 1b4l n GLY 44 Ca -0.24 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 1b4l n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b4l s PHE 45 N 0.23 1.60 0.08 1.61 5.36 -0.02 -0.42 117.98 126.42 1b4l s PHE 45 Ca 0.68 -1.02 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 1b4l s PHE 45 Cb -0.55 -1.27 -0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1b4l s PHE 45 CO 0.45 -0.60 0.09 -1.01 -1.46 0.00 0.00 175.22 172.69 1b4l s HIS 46 N 1.67 0.38 -0.26 10.12 3.76 -0.68 -2.18 115.29 128.10 1b4l s HIS 46 Ca 0.01 -0.86 -0.10 0.00 -0.15 0.00 0.00 55.06 53.96 1b4l s HIS 46 Cb -0.15 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1b4l s HIS 46 CO -0.08 -0.48 0.15 0.42 -0.85 0.00 0.00 174.74 173.90 1b4l s ILE 47 N -3.91 5.05 0.25 0.60 1.01 0.39 -0.76 121.20 123.83 1b4l s ILE 47 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1b4l s ILE 47 Cb 0.06 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1b4l s ILE 47 CO -0.09 0.30 0.43 -1.00 0.00 0.00 0.00 174.94 174.58 1b4l s HIS 48 N 1.49 3.48 0.23 3.97 3.76 0.62 -1.48 115.29 127.36 1b4l s HIS 48 Ca 0.07 0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.16 1b4l s HIS 48 Cb -0.15 -1.79 0.32 0.00 1.11 0.00 0.00 32.58 32.07 1b4l s HIS 48 CO 0.07 0.32 1.82 1.49 -0.85 0.00 0.00 174.74 177.60 1b4l h GLU 49 N 1.46 0.78 -6.13 1.40 4.81 -0.80 -2.58 114.58 113.51 1b4l h GLU 49 Ca -0.49 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.01 1b4l h GLU 49 Cb 1.21 -0.18 -0.17 0.00 0.63 0.00 0.00 28.75 30.24 1b4l h GLU 49 CO 0.64 0.52 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.70 1b4l s PHE 50 N -6.06 2.99 -0.61 0.92 0.08 -0.33 -4.63 117.98 110.34 1b4l s PHE 50 Ca -0.13 0.06 -0.03 0.00 0.12 0.00 0.00 56.93 56.96 1b4l s PHE 50 Cb 0.18 -1.71 0.24 0.00 -0.57 0.00 0.00 43.02 41.16 1b4l s PHE 50 CO 0.78 0.38 2.30 0.41 -0.10 0.00 0.00 175.22 178.98 1b4l n GLY 51 N 2.04 4.97 3.48 4.36 0.00 -1.04 -3.57 105.19 115.42 1b4l n GLY 51 Ca -0.17 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 1b4l n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b4l s ASP 52 N -0.52 5.86 -0.20 1.61 -1.08 -1.26 -4.93 116.67 116.15 1b4l s ASP 52 Ca 0.54 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 52.20 1b4l s ASP 52 Cb 0.40 -2.08 0.60 0.00 -1.46 0.00 0.00 42.92 40.38 1b4l s ASP 52 CO -0.23 -0.25 1.50 0.00 0.52 0.00 0.00 175.17 176.72 1b4l n ALA 53 N 5.06 3.25 0.02 3.66 0.00 -1.26 -3.35 120.51 127.89 1b4l n ALA 53 Ca -0.13 -2.26 -0.06 0.00 0.00 0.00 0.00 53.44 50.99 1b4l n ALA 53 Cb 0.49 -0.81 0.13 0.00 0.00 0.00 0.00 19.45 19.26 1b4l n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b4l h THR 54 N 2.24 1.31 -2.41 0.00 1.35 -1.94 -3.30 112.91 110.16 1b4l h THR 54 Ca 0.01 -1.60 -0.64 0.00 -0.55 0.00 0.00 66.41 63.63 1b4l h THR 54 Cb 1.58 1.62 -0.39 0.00 -1.73 0.00 0.00 68.15 69.23 1b4l h THR 54 CO 0.30 0.50 -0.34 -3.20 -0.25 0.00 0.00 175.52 172.52 1b4l n ASN 55 N -4.01 4.19 0.00 5.36 5.15 -1.26 -5.05 115.26 119.63 1b4l n ASN 55 Ca -0.02 -3.42 0.00 0.00 -0.60 0.00 0.00 54.58 50.54 1b4l n ASN 55 Cb 0.52 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1b4l n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b4l n GLY 56 N 1.04 2.74 0.21 8.20 0.00 -1.25 -1.43 105.19 114.70 1b4l n GLY 56 Ca 0.28 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1b4l n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4l h VAL 58 N 1.01 1.17 0.00 0.00 2.07 -1.58 -2.99 116.25 115.93 1b4l h VAL 58 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1b4l h VAL 58 Cb 0.55 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1b4l h VAL 58 CO 0.00 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 176.21 1b4l n SER 59 N -4.85 0.00 0.08 0.57 3.41 -1.08 -2.09 113.62 109.67 1b4l n SER 59 Ca -0.04 0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1b4l n SER 59 Cb 0.13 -0.20 0.43 0.00 -0.26 0.00 0.00 64.21 64.32 1b4l n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4l n ALA 60 N -1.20 1.73 -0.27 7.33 0.00 -1.13 -4.31 120.51 122.68 1b4l n ALA 60 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1b4l n ALA 60 Cb 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1b4l n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4l n GLY 61 N 0.16 -0.66 3.95 0.00 0.00 -0.89 -1.18 105.19 106.56 1b4l n GLY 61 Ca 0.03 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1b4l n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4l s PRO 62 N 0.00 0.73 0.43 1.61 0.04 -1.26 -4.70 135.00 131.85 1b4l s PRO 62 Ca 0.00 -0.65 -0.25 0.00 0.04 0.00 0.00 61.00 60.13 1b4l s PRO 62 Cb 0.00 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1b4l s PRO 62 CO 0.00 -2.28 1.32 -1.01 0.04 0.00 0.00 177.00 175.06 1b4l s HIS 63 N -3.75 2.72 -0.16 0.56 3.76 -1.26 -0.66 115.29 116.49 1b4l s HIS 63 Ca 0.74 1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 56.75 1b4l s HIS 63 Cb -0.03 -3.70 -0.05 0.00 1.11 0.00 0.00 32.58 29.91 1b4l s HIS 63 CO 0.51 -2.25 1.91 0.12 -0.85 0.00 0.00 174.74 174.18 1b4l s PHE 64 N -1.28 1.57 -0.39 1.40 5.36 -0.55 -4.47 117.98 119.63 1b4l s PHE 64 Ca 0.59 0.30 0.09 0.00 -0.96 0.00 0.00 56.93 56.95 1b4l s PHE 64 Cb -0.38 -4.04 0.27 0.00 -0.34 0.00 0.00 43.02 38.53 1b4l s PHE 64 CO 0.49 -3.97 0.57 -1.71 -1.46 0.00 0.00 175.22 169.14 1b4l n ASN 65 N 9.40 0.27 0.27 6.13 5.15 -1.26 -1.77 115.26 133.45 1b4l n ASN 65 Ca 0.23 -2.77 0.13 0.00 -0.60 0.00 0.00 54.58 51.57 1b4l n ASN 65 Cb 0.44 -0.60 0.77 0.00 -0.53 0.00 0.00 39.78 39.86 1b4l n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1b4l h PRO 66 N 3.77 0.00 -0.51 1.20 0.13 -1.99 -2.56 132.00 132.04 1b4l h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1b4l h PRO 66 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1b4l h PRO 66 CO 0.47 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.52 1b4l n PHE 67 N -3.66 0.68 -3.94 1.56 3.72 -1.26 -4.97 117.46 109.58 1b4l n PHE 67 Ca -0.02 -0.34 -0.26 0.00 -0.05 0.00 0.00 57.45 56.79 1b4l n PHE 67 Cb 0.21 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 1b4l n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b4l n LYS 68 N 1.07 -3.47 -3.20 -1.08 5.02 -0.97 -5.00 118.16 110.53 1b4l n LYS 68 Ca 0.18 0.43 -0.20 0.00 -2.02 0.00 0.00 58.31 56.70 1b4l n LYS 68 Cb 0.46 -4.63 0.03 0.00 -0.02 0.00 0.00 35.03 30.86 1b4l n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b4l s LYS 69 N -6.53 2.47 0.49 1.97 -0.14 -1.26 -5.12 119.74 111.63 1b4l s LYS 69 Ca 0.06 -1.56 -0.01 0.00 -1.36 0.00 0.00 55.97 53.09 1b4l s LYS 69 Cb -0.03 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1b4l s LYS 69 CO 0.88 -0.59 0.74 0.95 -0.76 0.00 0.00 175.35 176.57 1b4l s THR 70 N -2.57 3.79 0.44 2.17 -4.23 -1.26 -4.78 115.64 109.21 1b4l s THR 70 Ca 0.55 -0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 1b4l s THR 70 Cb -0.06 -3.43 -0.08 0.00 1.34 0.00 0.00 72.50 70.27 1b4l s THR 70 CO 0.34 -0.34 1.31 -2.28 -0.54 0.00 0.00 174.62 173.11 1b4l s HIS 71 N -2.68 2.69 0.00 3.99 2.46 0.16 -3.33 115.29 118.58 1b4l s HIS 71 Ca 0.50 1.40 0.00 0.00 0.47 0.00 0.00 55.06 57.44 1b4l s HIS 71 Cb -0.10 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 1b4l s HIS 71 CO 0.40 -2.25 0.00 0.41 -2.47 0.00 0.00 174.74 170.82 1b4l n GLY 72 N 0.63 2.22 3.91 1.59 0.00 -1.26 -4.37 105.19 107.91 1b4l n GLY 72 Ca 0.06 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 1b4l n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4l s ALA 73 N -1.00 3.52 0.52 4.61 0.00 -1.24 -4.73 121.76 123.44 1b4l s ALA 73 Ca 0.00 -0.58 0.23 0.00 0.00 0.00 0.00 51.96 51.61 1b4l s ALA 73 Cb 0.00 -2.42 1.34 0.00 0.00 0.00 0.00 23.12 22.04 1b4l s ALA 73 CO 0.00 -0.08 2.01 -1.35 0.00 0.00 0.00 175.76 176.34 1b4l h PRO 74 N 0.85 0.04 -0.00 0.00 0.11 -1.88 0.11 132.00 131.23 1b4l h PRO 74 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1b4l h PRO 74 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b4l h PRO 74 CO 0.63 0.03 -0.35 0.25 -0.21 0.00 0.00 178.00 178.34 1b4l n THR 75 N -4.41 0.00 -2.25 -1.15 -2.24 -1.26 -4.89 114.28 98.08 1b4l n THR 75 Ca 0.08 -0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 1b4l n THR 75 Cb 0.52 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1b4l n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b4l s ASP 76 N -2.98 5.93 0.15 3.42 1.01 0.39 -4.93 116.67 119.66 1b4l s ASP 76 Ca 0.12 1.94 -0.01 0.00 0.71 0.00 0.00 52.55 55.31 1b4l s ASP 76 Cb 0.18 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1b4l s ASP 76 CO 0.65 -1.06 1.36 -0.08 0.21 0.00 0.00 175.17 176.24 1b4l h GLU 77 N 0.97 0.33 -4.66 8.23 4.22 -1.90 -3.40 114.58 118.38 1b4l h GLU 77 Ca -0.48 -0.34 -0.70 0.00 0.08 0.00 0.00 59.36 57.92 1b4l h GLU 77 Cb 1.23 0.09 -0.26 0.00 0.50 0.00 0.00 28.75 30.31 1b4l h GLU 77 CO 0.58 1.02 -0.57 0.08 -2.18 0.00 0.00 179.01 177.94 1b4l s VAL 78 N -3.33 4.15 0.14 0.32 1.01 -1.26 -5.03 120.40 116.41 1b4l s VAL 78 Ca -0.05 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1b4l s VAL 78 Cb 0.10 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1b4l s VAL 78 CO 0.85 -0.17 0.77 0.00 0.00 0.00 0.00 175.10 176.55 1b4l s ARG 79 N 1.48 1.24 0.46 2.72 1.70 -1.22 -4.21 118.95 121.12 1b4l s ARG 79 Ca 0.00 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 54.50 1b4l s ARG 79 Cb -0.19 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 1b4l s ARG 79 CO 0.04 -0.56 0.96 -1.01 -1.08 0.00 0.00 175.30 173.66 1b4l s HIS 80 N -3.52 3.35 0.25 5.89 3.76 -1.21 -4.72 115.29 119.08 1b4l s HIS 80 Ca 0.06 1.57 -0.04 0.00 -0.15 0.00 0.00 55.06 56.50 1b4l s HIS 80 Cb -0.02 -2.84 0.41 0.00 1.11 0.00 0.00 32.58 31.24 1b4l s HIS 80 CO -0.05 -0.20 1.83 0.28 -0.85 0.00 0.00 174.74 175.74 1b4l h VAL 81 N 1.60 0.94 0.00 -0.90 2.07 -1.85 -1.90 116.25 116.23 1b4l h VAL 81 Ca -0.48 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1b4l h VAL 81 Cb 1.18 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1b4l h VAL 81 CO 0.61 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1b4l n GLY 82 N -1.33 -0.75 3.57 2.17 0.00 -0.73 -4.49 105.19 103.63 1b4l n GLY 82 Ca 0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1b4l n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b4l s ASP 83 N -1.83 6.05 0.00 1.61 1.01 -0.71 -0.47 116.67 122.33 1b4l s ASP 83 Ca 0.28 0.07 0.16 0.00 0.71 0.00 0.00 52.55 53.76 1b4l s ASP 83 Cb 0.13 -2.55 0.43 0.00 1.01 0.00 0.00 42.92 41.94 1b4l s ASP 83 CO 0.22 -1.81 1.36 0.23 0.21 0.00 0.00 175.17 175.37 1b4l n MET 84 N 8.92 2.76 0.00 8.23 2.81 -0.93 -4.12 117.12 134.79 1b4l n MET 84 Ca 0.10 -2.27 0.00 0.00 -1.81 0.00 0.00 57.70 53.72 1b4l n MET 84 Cb 0.49 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1b4l n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b4l n GLY 85 N 0.98 1.24 3.32 3.03 0.00 -1.22 -4.75 105.19 107.78 1b4l n GLY 85 Ca 0.17 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1b4l n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b4l s ASN 86 N -4.00 3.01 -0.03 1.61 0.01 -1.26 -0.84 114.94 113.43 1b4l s ASN 86 Ca 0.00 -0.56 -0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1b4l s ASN 86 Cb 0.00 -0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 1b4l s ASN 86 CO 0.00 0.25 0.02 0.68 -1.51 0.00 0.00 177.10 176.54 1b4l s VAL 87 N -0.77 4.35 -0.12 1.60 -7.23 0.09 -4.84 120.40 113.48 1b4l s VAL 87 Ca 0.11 -0.42 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 1b4l s VAL 87 Cb -0.10 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 1b4l s VAL 87 CO 0.02 0.46 0.38 -0.54 -0.31 0.00 0.00 175.10 175.10 1b4l s LYS 88 N -1.34 4.22 -0.09 4.82 1.02 -1.26 -1.59 119.74 125.52 1b4l s LYS 88 Ca 0.18 0.28 -0.04 0.00 0.02 0.00 0.00 55.97 56.41 1b4l s LYS 88 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1b4l s LYS 88 CO 0.08 0.29 0.10 0.95 -0.92 0.00 0.00 175.35 175.84 1b4l s THR 89 N 0.26 5.07 0.00 2.17 -4.23 -0.46 -4.21 115.64 114.24 1b4l s THR 89 Ca 0.21 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1b4l s THR 89 Cb -0.14 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1b4l s THR 89 CO 0.08 0.56 0.00 -0.90 -0.54 0.00 0.00 174.62 173.81 1b4l n ASP 90 N 1.83 0.00 0.09 3.99 5.68 0.06 -1.86 116.55 126.34 1b4l n ASP 90 Ca -0.18 -0.75 0.09 0.00 -0.50 0.00 0.00 54.79 53.45 1b4l n ASP 90 Cb 0.54 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.93 1b4l n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1b4l n GLU 91 N -0.75 0.12 -0.24 0.11 0.00 -1.26 -0.10 120.64 118.51 1b4l n GLU 91 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 57.16 57.68 1b4l n GLU 91 Cb 0.00 -1.75 0.22 0.00 0.00 0.00 0.00 31.44 29.91 1b4l n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1b4l n ASN 92 N -1.98 3.38 -0.42 -1.84 5.03 -1.26 -4.78 115.26 113.41 1b4l n ASN 92 Ca 0.02 -1.96 -0.05 0.00 0.87 0.00 0.00 54.58 53.46 1b4l n ASN 92 Cb 0.16 -0.32 -0.02 0.00 -1.02 0.00 0.00 39.78 38.58 1b4l n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b4l n GLY 93 N 1.21 0.74 3.71 7.41 0.00 -0.40 -4.68 105.19 113.18 1b4l n GLY 93 Ca 0.18 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1b4l n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4l s VAL 94 N -2.20 5.27 -0.19 1.61 1.01 -1.26 -2.28 120.40 122.36 1b4l s VAL 94 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1b4l s VAL 94 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1b4l s VAL 94 CO 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.51 1b4l s ALA 95 N 0.30 2.90 -0.13 5.51 0.00 0.12 -0.76 121.76 129.70 1b4l s ALA 95 Ca 0.07 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1b4l s ALA 95 Cb -0.11 -1.62 0.05 0.00 0.00 0.00 0.00 23.12 21.43 1b4l s ALA 95 CO -0.01 -0.10 0.31 0.21 0.00 0.00 0.00 175.76 176.17 1b4l s LYS 96 N 0.92 0.30 0.00 0.00 2.20 -1.26 -0.43 119.74 121.48 1b4l s LYS 96 Ca -0.00 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1b4l s LYS 96 Cb -0.15 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1b4l s LYS 96 CO 0.01 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1b4l n GLY 97 N 3.87 -0.95 3.54 5.54 0.00 -0.93 -4.99 105.19 111.27 1b4l n GLY 97 Ca -0.21 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 1b4l n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b4l s SER 98 N -4.00 -0.42 0.06 1.61 1.04 -1.26 -0.92 113.70 109.81 1b4l s SER 98 Ca 0.00 -0.12 -0.27 0.00 0.48 0.00 0.00 55.95 56.03 1b4l s SER 98 Cb 0.00 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.75 1b4l s SER 98 CO 0.00 -0.91 0.91 0.72 0.98 0.00 0.00 173.24 174.94 1b4l s PHE 99 N -3.53 -0.27 0.12 5.02 -0.71 -0.30 -4.99 117.98 113.33 1b4l s PHE 99 Ca 0.05 0.07 0.04 0.00 -1.04 0.00 0.00 56.93 56.05 1b4l s PHE 99 Cb -0.02 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 1b4l s PHE 99 CO -0.07 -0.66 0.09 0.15 -1.34 0.00 0.00 175.22 173.38 1b4l s LYS 100 N -3.20 2.81 -0.08 1.99 3.01 -1.26 0.02 119.74 123.04 1b4l s LYS 100 Ca 0.08 -0.82 -0.06 0.00 -1.01 0.00 0.00 55.97 54.16 1b4l s LYS 100 Cb -0.01 -2.64 0.03 0.00 -1.01 0.00 0.00 37.83 34.20 1b4l s LYS 100 CO -0.05 0.52 0.20 0.34 0.51 0.00 0.00 175.35 176.87 1b4l s ASP 101 N -2.73 -0.21 0.05 2.83 2.15 0.87 -4.92 116.67 114.72 1b4l s ASP 101 Ca 0.29 0.41 0.23 0.00 0.43 0.00 0.00 52.55 53.92 1b4l s ASP 101 Cb -0.11 0.37 0.16 0.00 -0.30 0.00 0.00 42.92 43.04 1b4l s ASP 101 CO 0.22 -0.10 1.13 -1.20 -0.17 0.00 0.00 175.17 175.05 1b4l n SER 102 N 3.45 0.63 0.02 -0.34 7.64 -1.26 -0.89 113.62 122.88 1b4l n SER 102 Ca -0.18 -0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.31 1b4l n SER 102 Cb 0.56 0.61 -0.14 0.00 -1.01 0.00 0.00 64.21 64.23 1b4l n SER 102 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1b4l h LEU 103 N 0.00 0.39 -9.47 -3.43 3.38 -1.96 -3.46 115.31 100.76 1b4l h LEU 103 Ca 0.00 -0.75 -0.54 0.00 0.09 0.00 0.00 57.88 56.68 1b4l h LEU 103 Cb 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1b4l h LEU 103 CO 0.00 1.66 0.64 -0.63 0.09 0.00 0.00 178.44 180.20 1b4l s ILE 104 N -2.58 3.88 0.02 1.22 1.01 -1.26 -5.01 121.20 118.49 1b4l s ILE 104 Ca -0.17 1.33 0.01 0.00 0.00 0.00 0.00 60.65 61.82 1b4l s ILE 104 Cb 0.07 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1b4l s ILE 104 CO 0.81 0.08 -0.04 -0.54 0.00 0.00 0.00 174.94 175.25 1b4l s LYS 105 N 1.33 0.34 0.00 2.79 1.02 -1.26 -4.20 119.74 119.76 1b4l s LYS 105 Ca 0.60 -0.53 0.20 0.00 0.02 0.00 0.00 55.97 56.26 1b4l s LYS 105 Cb -0.31 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.90 1b4l s LYS 105 CO 0.28 -0.00 0.98 1.28 -0.92 0.00 0.00 175.35 176.97 1b4l n LEU 106 N 1.87 1.74 -4.18 3.17 4.77 -1.26 -1.42 117.00 121.69 1b4l n LEU 106 Ca -0.21 -0.72 -0.23 0.00 -0.03 0.00 0.00 56.01 54.82 1b4l n LEU 106 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1b4l n LEU 106 CO 0.21 0.34 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.49 1b4l s ILE 107 N -2.38 1.35 0.00 -0.08 1.01 -1.26 -4.77 121.20 115.08 1b4l s ILE 107 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1b4l s ILE 107 Cb 0.16 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1b4l s ILE 107 CO 0.56 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1b4l n GLY 108 N 2.03 -3.31 0.33 6.18 0.00 -1.26 -4.37 105.19 104.79 1b4l n GLY 108 Ca -0.17 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.07 1b4l n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b4l h PRO 109 N 0.00 0.00 -0.47 1.61 0.13 -1.99 -1.86 132.00 129.41 1b4l h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b4l h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b4l h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1b4l n THR 110 N -3.58 2.56 -1.70 1.56 -2.24 -1.26 -5.01 114.28 104.61 1b4l n THR 110 Ca 0.00 -1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 59.79 1b4l n THR 110 Cb 0.27 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1b4l n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b4l n SER 111 N 0.25 2.78 -0.73 3.42 2.88 -0.70 -4.47 113.62 117.04 1b4l n SER 111 Ca 0.25 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 59.12 1b4l n SER 111 Cb 1.08 -1.48 0.33 0.00 -0.75 0.00 0.00 64.21 63.39 1b4l n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1b4l n VAL 112 N 0.54 0.15 -1.87 2.46 0.24 -0.51 -4.91 118.33 114.43 1b4l n VAL 112 Ca 0.06 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 1b4l n VAL 112 Cb 0.36 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1b4l n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1b4l s VAL 113 N -1.85 2.42 0.00 3.34 1.01 -1.26 -1.20 120.40 122.85 1b4l s VAL 113 Ca 0.34 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1b4l s VAL 113 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1b4l s VAL 113 CO 0.30 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1b4l n GLY 114 N 3.71 0.78 0.00 4.51 0.00 0.27 -5.01 105.19 109.46 1b4l n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1b4l n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4l n ARG 115 N -2.00 1.80 -4.35 1.61 1.74 -0.34 -2.51 116.66 112.61 1b4l n ARG 115 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1b4l n ARG 115 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 1b4l n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1b4l s SER 116 N -0.94 2.90 -0.14 0.55 0.01 -0.97 -0.60 113.70 114.51 1b4l s SER 116 Ca 0.00 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 56.45 1b4l s SER 116 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1b4l s SER 116 CO 0.00 0.05 -0.13 -0.69 0.41 0.00 0.00 173.24 172.88 1b4l s VAL 117 N -1.62 3.00 -0.05 3.43 1.01 -0.36 -0.27 120.40 125.54 1b4l s VAL 117 Ca 0.14 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1b4l s VAL 117 Cb -0.08 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1b4l s VAL 117 CO 0.07 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.85 1b4l s VAL 118 N 0.45 1.29 -0.14 2.92 1.01 0.06 -1.76 120.40 124.22 1b4l s VAL 118 Ca -0.10 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1b4l s VAL 118 Cb -0.16 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1b4l s VAL 118 CO 0.05 0.38 -0.02 -0.51 0.00 0.00 0.00 175.10 174.99 1b4l s ILE 119 N 0.18 4.05 0.46 2.22 1.10 -0.96 -1.69 121.20 126.56 1b4l s ILE 119 Ca -0.06 -0.31 0.03 0.00 -0.51 0.00 0.00 60.65 59.80 1b4l s ILE 119 Cb -0.12 -2.76 0.01 0.00 0.15 0.00 0.00 42.46 39.74 1b4l s ILE 119 CO 0.02 0.51 0.66 -1.00 -2.11 0.00 0.00 174.94 173.03 1b4l s HIS 120 N 0.11 3.01 -0.94 3.50 3.76 0.44 -3.55 115.29 121.63 1b4l s HIS 120 Ca 0.00 -0.02 0.25 0.00 -0.15 0.00 0.00 55.06 55.14 1b4l s HIS 120 Cb -0.13 -2.43 0.49 0.00 1.11 0.00 0.00 32.58 31.61 1b4l s HIS 120 CO 0.02 -0.50 1.40 0.00 -0.85 0.00 0.00 174.74 174.82 1b4l n ALA 121 N -2.07 3.43 -2.56 -1.40 0.00 -0.29 -4.49 120.51 113.13 1b4l n ALA 121 Ca 0.04 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 1b4l n ALA 121 Cb 0.59 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1b4l n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1b4l s GLY 122 N -3.11 2.43 0.18 0.00 0.00 0.45 -4.96 107.32 102.31 1b4l s GLY 122 Ca 0.10 -1.75 -0.27 0.00 0.00 0.00 0.00 44.72 42.80 1b4l s GLY 122 CO 0.70 -1.96 0.85 1.62 0.00 0.00 0.00 173.10 174.31 1b4l s GLN 123 N -3.81 4.67 -0.25 2.90 0.74 -1.24 -1.55 119.66 121.12 1b4l s GLN 123 Ca 0.29 1.29 -0.28 0.00 0.05 0.00 0.00 55.36 56.72 1b4l s GLN 123 Cb 0.07 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.90 1b4l s GLN 123 CO 0.14 0.49 1.00 0.34 -0.55 0.00 0.00 175.29 176.72 1b4l s ASP 124 N -0.95 7.01 0.00 6.67 -1.08 -1.26 -3.98 116.67 123.07 1b4l s ASP 124 Ca 0.39 1.23 0.13 0.00 -0.52 0.00 0.00 52.55 53.78 1b4l s ASP 124 Cb -0.24 -2.52 0.77 0.00 -1.46 0.00 0.00 42.92 39.47 1b4l s ASP 124 CO 0.28 -0.68 1.36 -0.90 0.52 0.00 0.00 175.17 175.75 1b4l n ASP 125 N 6.37 0.00 -2.02 -0.34 5.68 0.55 -4.87 116.55 121.92 1b4l n ASP 125 Ca 0.11 -1.25 -0.17 0.00 -0.50 0.00 0.00 54.79 52.98 1b4l n ASP 125 Cb 0.47 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1b4l n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1b4l n LEU 126 N -0.74 -1.47 -0.40 -2.12 4.77 -1.26 -1.39 117.00 114.38 1b4l n LEU 126 Ca 0.10 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1b4l n LEU 126 Cb 0.04 -2.56 -0.02 0.00 -2.33 0.00 0.00 43.42 38.55 1b4l n LEU 126 CO 0.07 -0.50 -0.05 0.61 -1.33 0.00 0.00 177.39 176.20 1b4l n GLY 127 N -0.67 0.78 0.01 -0.72 0.00 -1.25 -3.69 105.19 99.64 1b4l n GLY 127 Ca -0.19 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.16 1b4l n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4l n LYS 128 N -2.80 0.53 -0.51 1.61 4.01 -0.49 -4.75 118.16 115.76 1b4l n LYS 128 Ca -0.05 -0.13 -0.29 0.00 -0.51 0.00 0.00 58.31 57.33 1b4l n LYS 128 Cb 0.18 -1.48 0.24 0.00 -0.51 0.00 0.00 35.03 33.46 1b4l n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1b4l n GLY 129 N 1.37 -1.98 2.00 0.72 0.00 -1.26 -4.90 105.19 101.14 1b4l n GLY 129 Ca -0.01 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 1b4l n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4l n ASP 130 N -4.55 3.71 -4.48 1.61 9.92 -1.26 -4.85 116.55 116.64 1b4l n ASP 130 Ca 0.03 -3.67 -0.28 0.00 -0.53 0.00 0.00 54.79 50.34 1b4l n ASP 130 Cb 0.55 -0.80 -0.11 0.00 -0.64 0.00 0.00 41.12 40.12 1b4l n ASP 130 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1b4l s THR 131 N -3.40 2.74 0.30 -3.53 -4.23 -1.26 -5.02 115.64 101.25 1b4l s THR 131 Ca 0.55 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 1b4l s THR 131 Cb 0.47 -2.29 0.28 0.00 1.34 0.00 0.00 72.50 72.30 1b4l s THR 131 CO 0.08 0.01 1.91 -0.33 -0.54 0.00 0.00 174.62 175.75 1b4l h GLU 132 N 3.47 1.01 -0.02 3.99 3.07 -2.01 -1.56 114.58 122.53 1b4l h GLU 132 Ca -0.49 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.30 1b4l h GLU 132 Cb 1.18 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1b4l h GLU 132 CO 0.47 0.67 -0.06 0.93 -1.40 0.00 0.00 179.01 179.62 1b4l h GLU 133 N 1.04 0.02 -0.81 2.33 4.39 -1.98 -1.95 114.58 117.63 1b4l h GLU 133 Ca 0.39 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.15 1b4l h GLU 133 Cb 0.19 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1b4l h GLU 133 CO -0.14 0.09 0.49 1.03 -1.16 0.00 0.00 179.01 179.31 1b4l h SER 134 N 0.02 0.77 0.67 1.42 0.87 -1.61 0.61 113.55 116.30 1b4l h SER 134 Ca 0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1b4l h SER 134 Cb 0.12 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1b4l h SER 134 CO 0.01 0.49 0.00 0.18 -0.53 0.00 0.00 176.83 176.98 1b4l n LEU 135 N -4.66 0.00 -0.08 2.23 4.77 -0.74 -1.37 117.00 117.15 1b4l n LEU 135 Ca 0.11 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.39 1b4l n LEU 135 Cb 0.17 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1b4l n LEU 135 CO 0.31 -0.14 -1.07 0.29 -1.33 0.00 0.00 177.39 175.45 1b4l n LYS 136 N -1.47 0.35 0.00 3.23 5.02 -0.54 -0.66 118.16 124.09 1b4l n LYS 136 Ca 0.06 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1b4l n LYS 136 Cb 0.23 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1b4l n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1b4l n THR 137 N -3.71 0.00 -1.02 -0.18 -2.24 0.09 -4.63 114.28 102.59 1b4l n THR 137 Ca -0.32 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1b4l n THR 137 Cb 0.73 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1b4l n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4l n GLY 138 N 1.99 0.47 3.09 3.38 0.00 -0.47 -3.66 105.19 109.99 1b4l n GLY 138 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1b4l n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4l n ASN 139 N 1.07 -4.69 0.18 1.61 3.02 -1.25 -0.33 115.26 114.86 1b4l n ASN 139 Ca -0.01 -0.27 0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1b4l n ASN 139 Cb 0.03 -3.85 0.55 0.00 -0.61 0.00 0.00 39.78 35.90 1b4l n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4l h ALA 140 N 0.99 1.00 0.00 5.41 0.00 -1.69 -3.43 119.26 121.54 1b4l h ALA 140 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1b4l h ALA 140 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1b4l h ALA 140 CO 0.52 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1b4l n GLY 141 N 0.08 -1.18 3.51 0.00 0.00 -1.26 -0.41 105.19 105.93 1b4l n GLY 141 Ca 0.02 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1b4l n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b4l n PRO 142 N 0.00 -0.88 -3.88 1.61 -0.02 -1.26 -4.70 135.00 125.87 1b4l n PRO 142 Ca 0.00 -0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 60.97 1b4l n PRO 142 Cb 0.00 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 1b4l n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1b4l s ARG 143 N -4.15 2.38 0.53 -0.52 0.52 -1.26 -1.14 118.95 115.31 1b4l s ARG 143 Ca 0.63 -3.01 0.27 0.00 -0.52 0.00 0.00 55.73 53.10 1b4l s ARG 143 Cb -0.22 -3.47 1.47 0.00 0.52 0.00 0.00 34.95 33.25 1b4l s ARG 143 CO 0.63 -1.21 2.09 -1.00 0.02 0.00 0.00 175.30 175.83 1b4l h PRO 144 N 6.00 0.00 -2.95 3.54 0.13 -1.88 -3.44 132.00 133.40 1b4l h PRO 144 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1b4l h PRO 144 Cb 0.83 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.76 1b4l h PRO 144 CO 0.72 0.11 -0.22 0.00 -0.23 0.00 0.00 178.00 178.38 1b4l s ALA 145 N -4.25 -0.89 0.21 -0.56 0.00 -1.25 -3.93 121.76 111.09 1b4l s ALA 145 Ca -0.03 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 1b4l s ALA 145 Cb 0.13 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1b4l s ALA 145 CO 0.59 -0.30 0.61 0.00 0.00 0.00 0.00 175.76 176.65 1b4l s GLY 147 N -2.85 -0.39 0.05 0.00 0.00 -0.72 -0.85 107.32 102.55 1b4l s GLY 147 Ca 0.07 0.95 -0.24 0.00 0.00 0.00 0.00 44.72 45.51 1b4l s GLY 147 CO -0.03 0.67 0.74 0.14 0.00 0.00 0.00 173.10 174.62 1b4l s VAL 148 N -1.08 4.71 -0.25 1.40 1.01 -1.26 -1.23 120.40 123.71 1b4l s VAL 148 Ca -0.11 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 1b4l s VAL 148 Cb -0.02 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1b4l s VAL 148 CO 0.07 0.39 1.06 -0.63 0.00 0.00 0.00 175.10 175.99 1b4l s ILE 149 N -0.22 4.63 0.24 2.22 1.01 0.23 -4.42 121.20 124.88 1b4l s ILE 149 Ca 0.37 1.95 0.11 0.00 0.00 0.00 0.00 60.65 63.07 1b4l s ILE 149 Cb -0.20 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 1b4l s ILE 149 CO 0.22 -0.25 -0.15 -0.83 0.00 0.00 0.00 174.94 173.93 1b4l s GLY 150 N 1.33 1.77 0.39 6.18 0.00 -0.11 -0.56 107.32 116.32 1b4l s GLY 150 Ca 0.45 -1.70 -0.24 0.00 0.00 0.00 0.00 44.72 43.22 1b4l s GLY 150 CO 0.08 -1.76 1.04 1.08 0.00 0.00 0.00 173.10 173.55 1b4l s LEU 151 N -3.21 4.15 0.32 0.66 1.43 -1.26 -1.06 118.68 119.71 1b4l s LEU 151 Ca 0.27 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.45 1b4l s LEU 151 Cb -0.07 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 1b4l s LEU 151 CO 0.15 -0.46 0.29 0.28 0.23 0.00 0.00 176.35 176.84 1b4l s THR 152 N -1.66 0.00 -1.52 5.49 -1.32 -0.56 -4.83 115.64 111.25 1b4l s THR 152 Ca 0.57 -1.96 0.12 0.00 -1.21 0.00 0.00 61.69 59.21 1b4l s THR 152 Cb -0.22 -2.51 0.10 0.00 -1.51 0.00 0.00 72.50 68.36 1b4l s THR 152 CO 0.27 0.00 0.88 -0.46 -2.21 0.00 0.00 174.62 173.11