#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n GLU 2 N 0.00 3.74 -1.75 3.17 1.02 -1.26 -4.33 120.64 121.22 1vsa n GLU 2 Ca 0.00 -3.73 -0.42 0.00 -0.02 0.00 0.00 57.16 52.99 1vsa n GLU 2 Cb 0.00 -2.86 -0.03 0.00 -0.02 0.00 0.00 31.44 28.53 1vsa n GLU 2 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1vsa s TYR 3 N -0.06 1.45 0.57 -0.32 4.12 -1.19 -4.48 117.35 117.43 1vsa s TYR 3 Ca 0.38 -0.25 -0.16 0.00 0.02 0.00 0.00 57.07 57.07 1vsa s TYR 3 Cb 0.08 -4.15 -0.05 0.00 -1.52 0.00 0.00 41.96 36.32 1vsa s TYR 3 CO 0.02 -5.06 1.03 0.50 0.02 0.00 0.00 175.55 172.06 1vsa s ARG 4 N 4.47 3.54 0.27 -0.62 3.52 -1.26 0.12 118.95 128.98 1vsa s ARG 4 Ca 0.85 1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 1vsa s ARG 4 Cb -0.40 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1vsa s ARG 4 CO 0.38 -0.62 0.32 -1.17 -0.81 0.00 0.00 175.30 173.40 1vsa s LEU 5 N -4.40 1.05 0.00 -0.88 1.98 0.14 -4.53 118.68 112.05 1vsa s LEU 5 Ca 0.61 -1.38 0.00 0.00 -2.89 0.00 0.00 54.13 50.47 1vsa s LEU 5 Cb -0.14 0.97 0.00 0.00 0.66 0.00 0.00 46.19 47.69 1vsa s LEU 5 CO 0.36 -1.06 0.00 0.29 -1.89 0.00 0.00 176.35 174.05 1vsa n LYS 6 N -0.43 0.10 0.00 1.98 5.02 -1.26 0.41 118.16 123.98 1vsa n LYS 6 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1vsa n LYS 6 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1vsa n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vsa n ALA 7 N -3.00 0.00 -2.50 7.82 0.00 -1.26 0.70 120.51 122.27 1vsa n ALA 7 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1vsa n ALA 7 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1vsa n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1vsa s TYR 8 N -2.30 0.36 0.74 0.00 1.51 -1.07 -4.73 117.35 111.86 1vsa s TYR 8 Ca 0.00 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.24 1vsa s TYR 8 Cb 0.00 -0.27 0.15 0.00 -0.11 0.00 0.00 41.96 41.74 1vsa s TYR 8 CO 0.00 -0.33 1.01 0.66 -1.11 0.00 0.00 175.55 175.78 1vsa n TYR 9 N 0.66 -3.24 -3.77 2.71 0.53 -1.26 -2.26 117.16 110.53 1vsa n TYR 9 Ca -0.18 -1.49 -0.05 0.00 -1.02 0.00 0.00 57.90 55.16 1vsa n TYR 9 Cb 0.59 -0.75 0.02 0.00 -1.03 0.00 0.00 39.34 38.17 1vsa n TYR 9 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 1vsa n ARG 10 N -2.95 0.76 -4.05 -0.72 -4.01 -1.09 -4.13 116.66 100.47 1vsa n ARG 10 Ca 0.15 -1.59 -0.13 0.00 -1.04 0.00 0.00 57.85 55.24 1vsa n ARG 10 Cb 0.54 2.06 -0.04 0.00 -3.04 0.00 0.00 32.46 31.98 1vsa n ARG 10 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1vsa s GLU 11 N -2.06 1.85 0.00 2.89 2.56 -1.26 -4.70 118.70 117.98 1vsa s GLU 11 Ca 0.17 -1.64 0.00 0.00 0.00 0.00 0.00 54.97 53.51 1vsa s GLU 11 Cb -0.03 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.56 1vsa s GLU 11 CO 0.07 -0.77 0.00 0.41 -0.56 0.00 0.00 175.26 174.41 1vsa n GLY 12 N -0.52 0.00 0.00 -1.50 0.00 -1.26 -4.70 105.19 97.21 1vsa n GLY 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsa n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 13 N -2.49 0.00 -2.67 1.61 1.02 -1.26 -4.85 120.64 112.01 1vsa n GLU 13 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1vsa n GLU 13 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1vsa n GLU 13 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1vsa s LYS 14 N 0.00 4.32 0.00 3.49 2.20 -1.26 -5.04 119.74 123.45 1vsa s LYS 14 Ca 0.00 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1vsa s LYS 14 Cb 0.00 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1vsa s LYS 14 CO 0.00 0.02 0.00 -2.30 -0.36 0.00 0.00 175.35 172.71 1vsa n PRO 15 N 0.05 0.00 0.05 4.03 -0.02 -1.26 -3.04 135.00 134.81 1vsa n PRO 15 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.56 1vsa n PRO 15 Cb 0.50 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.04 1vsa n PRO 15 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1vsa n SER 16 N 0.00 0.00 0.00 2.55 2.88 -1.26 -1.55 113.62 116.24 1vsa n SER 16 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1vsa n SER 16 Cb 0.00 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1vsa n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsa n ALA 17 N -1.11 0.00 -0.33 -1.46 0.00 -1.24 -1.15 120.51 115.22 1vsa n ALA 17 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.66 1vsa n ALA 17 Cb 0.42 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.23 1vsa n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vsa n LEU 18 N -0.28 0.01 0.14 0.00 4.77 -0.59 0.21 117.00 121.25 1vsa n LEU 18 Ca 0.00 1.65 -0.01 0.00 -0.03 0.00 0.00 56.01 57.62 1vsa n LEU 18 Cb 0.00 -0.65 0.16 0.00 -2.33 0.00 0.00 43.42 40.60 1vsa n LEU 18 CO 0.00 -1.72 0.49 0.08 -1.33 0.00 0.00 177.39 174.91 1vsa h ARG 19 N 0.00 0.00 -0.17 3.23 -0.00 -1.71 -2.63 114.38 113.10 1vsa h ARG 19 Ca 0.66 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.69 1vsa h ARG 19 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.44 1vsa h ARG 19 CO -0.87 0.62 0.55 0.07 -0.00 0.00 0.00 179.97 180.33 1vsa h ARG 20 N 0.00 0.00 0.03 0.08 0.11 0.40 1.27 114.38 116.27 1vsa h ARG 20 Ca -0.01 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 1vsa h ARG 20 Cb 1.14 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 1vsa h ARG 20 CO 0.08 0.00 -1.39 0.00 0.10 0.00 0.00 179.97 178.76 1vsa h ALA 21 N 1.06 0.29 0.00 0.08 0.00 -1.40 -3.49 119.26 115.81 1vsa h ALA 21 Ca 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1vsa h ALA 21 Cb 1.18 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1vsa h ALA 21 CO -0.00 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1vsa n GLY 22 N 1.57 0.00 3.88 0.00 0.00 0.44 -5.13 105.19 105.95 1vsa n GLY 22 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1vsa n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s LYS 23 N 0.00 3.61 -0.71 1.61 -0.14 -1.01 -2.96 119.74 120.13 1vsa s LYS 23 Ca 0.00 0.50 0.05 0.00 -1.36 0.00 0.00 55.97 55.16 1vsa s LYS 23 Cb 0.00 -2.23 0.20 0.00 -1.68 0.00 0.00 37.83 34.12 1vsa s LYS 23 CO 0.00 -0.36 0.62 1.28 -0.76 0.00 0.00 175.35 176.13 1vsa n LEU 24 N -2.38 3.43 -4.77 3.17 4.77 -0.65 -4.23 117.00 116.35 1vsa n LEU 24 Ca 0.03 -5.28 -0.41 0.00 -0.03 0.00 0.00 56.01 50.32 1vsa n LEU 24 Cb 0.54 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1vsa n LEU 24 CO 0.55 1.84 1.07 -2.84 -1.33 0.00 0.00 177.39 176.67 1vsa s PRO 25 N -1.82 4.24 0.00 3.23 0.02 -1.26 -1.45 135.00 137.97 1vsa s PRO 25 Ca 0.30 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1vsa s PRO 25 Cb 0.02 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1vsa s PRO 25 CO -0.11 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1vsa n GLY 26 N 0.97 0.55 3.47 0.52 0.00 -1.08 -3.15 105.19 106.47 1vsa n GLY 26 Ca 0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1vsa n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsa s VAL 27 N -2.00 2.77 0.44 1.61 1.01 -1.17 -2.69 120.40 120.36 1vsa s VAL 27 Ca 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.60 1vsa s VAL 27 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1vsa s VAL 27 CO 0.00 0.16 0.15 0.00 0.00 0.00 0.00 175.10 175.41 1vsa s MET 28 N -1.94 2.17 0.00 2.72 0.23 -1.14 -3.03 119.30 118.31 1vsa s MET 28 Ca 0.17 -1.97 0.00 0.00 -1.03 0.00 0.00 55.69 52.85 1vsa s MET 28 Cb -0.10 -1.88 0.00 0.00 -1.53 0.00 0.00 34.83 31.32 1vsa s MET 28 CO 0.08 -0.18 0.00 2.48 -2.03 0.00 0.00 175.02 175.38 1vsa n TYR 29 N -1.24 0.00 -2.15 3.16 0.18 -1.09 -2.96 117.16 113.05 1vsa n TYR 29 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 1vsa n TYR 29 Cb 0.65 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 1vsa n TYR 29 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1vsa n ASN 30 N 1.33 0.00 -0.76 9.48 0.23 -1.15 -3.03 115.26 121.37 1vsa n ASN 30 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 1vsa n ASN 30 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 1vsa n ASN 30 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1vsa n ARG 31 N 0.00 1.89 0.02 -3.83 1.85 -1.26 -4.13 116.66 111.20 1vsa n ARG 31 Ca 0.00 -0.78 -0.02 0.00 -1.00 0.00 0.00 57.85 56.05 1vsa n ARG 31 Cb 0.00 -1.59 -0.01 0.00 -1.05 0.00 0.00 32.46 29.81 1vsa n ARG 31 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1vsa n HIS 32 N 0.14 0.00 -2.45 2.89 8.25 -1.26 -5.16 115.22 117.63 1vsa n HIS 32 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1vsa n HIS 32 Cb 0.43 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1vsa n HIS 32 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1vsa n LEU 33 N -3.64 0.00 -3.69 2.41 -0.00 -1.26 -5.20 117.00 105.62 1vsa n LEU 33 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.84 1vsa n LEU 33 Cb 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.50 1vsa n LEU 33 CO 0.04 0.00 0.13 0.54 -0.00 0.00 0.00 177.39 178.10 1vsa s ASN 34 N 0.81 -0.29 0.06 1.45 2.20 -1.26 -2.92 114.94 114.98 1vsa s ASN 34 Ca 0.00 0.14 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 1vsa s ASN 34 Cb 0.00 0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 39.60 1vsa s ASN 34 CO 0.00 -0.56 -0.04 -0.60 -2.94 0.00 0.00 177.10 172.96 1vsa s ARG 35 N -1.76 0.64 -0.30 3.55 3.52 -1.16 -5.02 118.95 118.42 1vsa s ARG 35 Ca -0.10 -1.17 -0.25 0.00 -0.13 0.00 0.00 55.73 54.08 1vsa s ARG 35 Cb -0.03 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1vsa s ARG 35 CO 0.03 -0.07 0.88 0.15 -0.81 0.00 0.00 175.30 175.47 1vsa s LYS 36 N -3.51 4.02 0.26 5.12 1.02 -1.26 -2.89 119.74 122.51 1vsa s LYS 36 Ca 0.05 0.78 0.02 0.00 0.02 0.00 0.00 55.97 56.84 1vsa s LYS 36 Cb 0.04 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1vsa s LYS 36 CO -0.07 -0.72 0.22 0.14 -0.92 0.00 0.00 175.35 174.00 1vsa s VAL 37 N 3.13 0.00 0.09 3.17 -7.23 -1.10 -2.68 120.40 115.78 1vsa s VAL 37 Ca 0.36 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.31 1vsa s VAL 37 Cb -0.14 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1vsa s VAL 37 CO 0.12 0.00 0.72 -0.72 -0.31 0.00 0.00 175.10 174.91 1vsa s TYR 38 N -3.79 -0.47 0.00 2.82 -0.00 -0.96 -2.64 117.35 112.31 1vsa s TYR 38 Ca 0.39 0.32 0.00 0.00 -0.00 0.00 0.00 57.07 57.78 1vsa s TYR 38 Cb 0.04 0.54 0.00 0.00 -0.00 0.00 0.00 41.96 42.55 1vsa s TYR 38 CO 0.19 -0.72 0.00 0.28 -0.00 0.00 0.00 175.55 175.30 1vsa n VAL 39 N -0.26 0.00 -4.18 -3.49 0.31 -0.53 -2.59 118.33 107.59 1vsa n VAL 39 Ca -0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.02 1vsa n VAL 39 Cb 0.63 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.41 1vsa n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vsa s ASP 40 N 1.72 0.75 0.00 4.52 3.68 -1.26 -1.63 116.67 124.45 1vsa s ASP 40 Ca 0.00 -0.11 0.00 0.00 2.13 0.00 0.00 52.55 54.57 1vsa s ASP 40 Cb 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 42.92 41.29 1vsa s ASP 40 CO 0.00 0.03 0.00 0.00 0.13 0.00 0.00 175.17 175.33 1vsa n LEU 41 N 3.27 0.00 0.00 -1.34 -0.00 -1.16 -3.09 117.00 114.69 1vsa n LEU 41 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1vsa n LEU 41 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1vsa n LEU 41 CO 0.25 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.16 1vsa n VAL 42 N 0.00 0.00 -0.23 1.47 0.31 -1.26 0.12 118.33 118.74 1vsa n VAL 42 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1vsa n VAL 42 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 1vsa n VAL 42 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1vsa h GLU 43 N 0.00 -0.07 -0.50 5.55 9.09 -1.91 0.87 114.58 127.61 1vsa h GLU 43 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.48 1vsa h GLU 43 Cb 0.00 0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 27.04 1vsa h GLU 43 CO 0.00 -0.05 -0.24 1.97 0.05 0.00 0.00 179.01 180.75 1vsa n PHE 44 N -5.46 -0.09 0.00 2.06 -0.00 0.33 -1.51 117.46 112.79 1vsa n PHE 44 Ca 0.07 0.62 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 1vsa n PHE 44 Cb 0.37 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 1vsa n PHE 44 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1vsa n ASP 45 N -4.69 0.00 -1.59 5.98 -0.08 0.30 -1.55 116.55 114.92 1vsa n ASP 45 Ca 0.03 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1vsa n ASP 45 Cb 0.17 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1vsa n ASP 45 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1vsa n LYS 46 N -0.24 0.00 0.17 -0.67 2.85 -0.57 -0.87 118.16 118.83 1vsa n LYS 46 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vsa n LYS 46 Cb 0.00 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 1vsa n LYS 46 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1vsa n VAL 47 N 0.89 0.00 0.20 0.58 0.31 -0.58 -4.80 118.33 114.93 1vsa n VAL 47 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1vsa n VAL 47 Cb 0.00 -0.29 0.83 0.00 -0.91 0.00 0.00 33.84 33.47 1vsa n VAL 47 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1vsa h PHE 48 N 0.00 0.00 0.00 3.52 -5.15 0.05 0.22 116.94 115.58 1vsa h PHE 48 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1vsa h PHE 48 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1vsa h PHE 48 CO 0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 1vsa n ARG 49 N -3.70 0.00 0.00 6.09 1.74 -0.72 -2.21 116.66 117.86 1vsa n ARG 49 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1vsa n ARG 49 Cb 0.38 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1vsa n ARG 49 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vsa n GLN 50 N -0.55 3.49 -1.14 5.56 6.02 0.75 -4.96 117.38 126.55 1vsa n GLN 50 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1vsa n GLN 50 Cb 0.00 -0.30 0.02 0.00 1.02 0.00 0.00 30.24 30.98 1vsa n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vsa n ALA 51 N -0.01 2.29 0.18 -1.58 0.00 -0.97 -3.77 120.51 116.66 1vsa n ALA 51 Ca 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 53.44 51.39 1vsa n ALA 51 Cb 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1vsa n ALA 51 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vsa h SER 52 N 0.68 -0.40 -0.16 0.00 0.02 -1.67 -3.35 113.55 108.68 1vsa h SER 52 Ca -0.15 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1vsa h SER 52 Cb 1.70 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 64.28 1vsa h SER 52 CO 0.06 -0.25 -0.42 2.30 -1.14 0.00 0.00 176.83 177.38 1vsa n ILE 53 N -3.47 2.34 0.00 3.27 -0.00 -1.26 -4.72 119.36 115.51 1vsa n ILE 53 Ca -0.06 -3.24 0.00 0.00 -0.00 0.00 0.00 62.75 59.46 1vsa n ILE 53 Cb 0.19 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 39.47 1vsa n ILE 53 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1vsa n HIS 54 N -1.08 0.00 -1.58 4.28 8.25 -1.25 -3.31 115.22 120.53 1vsa n HIS 54 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1vsa n HIS 54 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1vsa n HIS 54 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vsa n HIS 55 N 0.00 0.00 -4.37 4.41 8.25 -1.25 -4.85 115.22 117.41 1vsa n HIS 55 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1vsa n HIS 55 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1vsa n HIS 55 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1vsa s VAL 56 N 2.42 1.07 0.05 1.59 -7.23 -1.26 -4.48 120.40 112.56 1vsa s VAL 56 Ca 0.00 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1vsa s VAL 56 Cb 0.00 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1vsa s VAL 56 CO 0.00 -0.20 0.05 -0.51 -0.31 0.00 0.00 175.10 174.13 1vsa s ILE 57 N -3.39 0.16 0.52 -0.62 1.10 -1.16 -3.18 121.20 114.63 1vsa s ILE 57 Ca 0.32 -1.34 0.05 0.00 -0.51 0.00 0.00 60.65 59.16 1vsa s ILE 57 Cb 0.07 -1.11 0.04 0.00 0.15 0.00 0.00 42.46 41.61 1vsa s ILE 57 CO 0.11 -0.74 0.72 -0.69 -2.11 0.00 0.00 174.94 172.23 1vsa s VAL 58 N -3.13 2.67 -0.05 4.00 1.01 0.32 -3.09 120.40 122.12 1vsa s VAL 58 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1vsa s VAL 58 Cb 0.02 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1vsa s VAL 58 CO -0.07 0.00 0.10 -0.76 0.00 0.00 0.00 175.10 174.37 1vsa s LEU 59 N -4.62 0.53 -0.30 3.92 2.01 -0.68 0.26 118.68 119.81 1vsa s LEU 59 Ca 0.58 0.19 -0.29 0.00 0.01 0.00 0.00 54.13 54.62 1vsa s LEU 59 Cb -0.09 0.12 -0.02 0.00 0.01 0.00 0.00 46.19 46.22 1vsa s LEU 59 CO 0.37 -0.18 1.62 -1.61 1.01 0.00 0.00 176.35 177.56 1vsa s GLU 60 N 1.59 3.61 -0.91 1.70 0.41 0.22 -2.54 118.70 122.76 1vsa s GLU 60 Ca -0.04 1.43 -0.14 0.00 -0.41 0.00 0.00 54.97 55.81 1vsa s GLU 60 Cb -0.12 -4.08 0.21 0.00 -1.78 0.00 0.00 34.13 28.36 1vsa s GLU 60 CO -0.04 -1.53 0.93 -0.51 -0.49 0.00 0.00 175.26 173.62 1vsa s LEU 61 N 5.77 6.28 0.42 1.80 1.02 0.19 -4.20 118.68 129.96 1vsa s LEU 61 Ca 0.72 -2.73 0.35 0.00 0.02 0.00 0.00 54.13 52.49 1vsa s LEU 61 Cb -0.22 -2.26 1.34 0.00 0.02 0.00 0.00 46.19 45.08 1vsa s LEU 61 CO 0.31 -0.63 1.29 -2.65 0.02 0.00 0.00 176.35 174.68 1vsa n PRO 62 N 4.36 -0.01 0.00 1.29 -0.02 -1.26 -1.17 135.00 138.19 1vsa n PRO 62 Ca 0.19 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 1vsa n PRO 62 Cb 0.46 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1vsa n PRO 62 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1vsa n ASP 63 N -3.93 0.62 -2.08 2.55 3.85 -1.26 -4.61 116.55 111.69 1vsa n ASP 63 Ca 0.35 -0.46 -0.05 0.00 -0.71 0.00 0.00 54.79 53.92 1vsa n ASP 63 Cb 1.50 -0.11 0.03 0.00 -1.35 0.00 0.00 41.12 41.18 1vsa n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vsa n GLY 64 N 0.80 0.19 3.64 6.12 0.00 -0.31 -5.08 105.19 110.55 1vsa n GLY 64 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1vsa n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vsa s GLN 65 N -3.59 0.43 0.00 1.61 0.74 -0.40 -5.05 119.66 113.39 1vsa s GLN 65 Ca 0.14 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.09 1vsa s GLN 65 Cb -0.02 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1vsa s GLN 65 CO 0.26 -0.06 0.00 0.43 -0.55 0.00 0.00 175.29 175.37 1vsa n SER 66 N 2.36 0.00 -3.15 6.67 7.64 -1.26 0.56 113.62 126.44 1vsa n SER 66 Ca -0.13 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.80 1vsa n SER 66 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1vsa n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1vsa s LEU 67 N 0.00 -0.44 -0.45 -3.43 1.98 -1.05 -4.46 118.68 110.83 1vsa s LEU 67 Ca 0.00 0.25 -0.29 0.00 -2.89 0.00 0.00 54.13 51.20 1vsa s LEU 67 Cb 0.00 1.36 0.02 0.00 0.66 0.00 0.00 46.19 48.23 1vsa s LEU 67 CO 0.00 -0.08 1.22 -2.16 -1.89 0.00 0.00 176.35 173.44 1vsa s PRO 68 N 2.96 3.70 0.31 0.98 0.04 -1.26 -1.69 135.00 140.04 1vsa s PRO 68 Ca 0.02 0.71 -0.18 0.00 0.04 0.00 0.00 61.00 61.59 1vsa s PRO 68 Cb -0.09 -3.94 0.06 0.00 0.04 0.00 0.00 34.50 30.57 1vsa s PRO 68 CO -0.12 -1.41 0.87 0.99 0.04 0.00 0.00 177.00 177.37 1vsa s THR 69 N 4.71 0.00 0.21 1.26 2.01 -1.18 -2.94 115.64 119.71 1vsa s THR 69 Ca 0.52 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 61.49 1vsa s THR 69 Cb -0.09 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.62 1vsa s THR 69 CO 0.31 0.00 0.54 -0.76 -0.69 0.00 0.00 174.62 174.02 1vsa s LEU 70 N -3.17 0.05 1.38 4.42 1.43 -1.16 -2.98 118.68 118.64 1vsa s LEU 70 Ca 0.17 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 1vsa s LEU 70 Cb -0.04 2.18 0.34 0.00 0.03 0.00 0.00 46.19 48.70 1vsa s LEU 70 CO 0.09 -1.09 0.82 0.52 0.23 0.00 0.00 176.35 176.92 1vsa n VAL 71 N -0.36 0.00 0.00 -1.59 0.31 -1.26 -2.56 118.33 112.87 1vsa n VAL 71 Ca -0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1vsa n VAL 71 Cb 0.62 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1vsa n VAL 71 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 72 N -5.17 0.00 0.00 5.55 0.63 -1.26 -4.46 116.66 111.95 1vsa n ARG 72 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1vsa n ARG 72 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1vsa n ARG 72 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1vsa n GLN 73 N 0.00 0.00 -4.39 -0.14 -0.06 -1.26 -4.38 117.38 107.15 1vsa n GLN 73 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.81 1vsa n GLN 73 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 1vsa n GLN 73 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1vsa s VAL 74 N 0.00 0.81 -0.42 1.69 1.01 -1.26 -2.93 120.40 119.29 1vsa s VAL 74 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1vsa s VAL 74 Cb 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 36.38 35.81 1vsa s VAL 74 CO 0.00 0.16 0.19 0.20 0.00 0.00 0.00 175.10 175.65 1vsa s ASN 75 N -0.42 4.03 1.10 3.32 -0.87 -1.11 -5.04 114.94 115.94 1vsa s ASN 75 Ca 0.03 -2.49 -0.12 0.00 -1.57 0.00 0.00 52.86 48.71 1vsa s ASN 75 Cb -0.05 -1.23 0.25 0.00 -0.02 0.00 0.00 41.25 40.20 1vsa s ASN 75 CO -0.00 -0.30 1.05 -0.22 -2.57 0.00 0.00 177.10 175.06 1vsa s LEU 76 N 0.49 1.23 -1.09 0.60 0.20 -1.26 -0.12 118.68 118.72 1vsa s LEU 76 Ca 0.15 1.52 -0.05 0.00 0.69 0.00 0.00 54.13 56.44 1vsa s LEU 76 Cb -0.23 -3.55 0.30 0.00 -0.43 0.00 0.00 46.19 42.28 1vsa s LEU 76 CO -0.05 -3.84 1.41 -0.67 -0.29 0.00 0.00 176.35 172.91 1vsa n ASP 77 N -4.68 6.23 0.00 3.68 2.03 -1.26 -3.69 116.55 118.87 1vsa n ASP 77 Ca 0.04 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1vsa n ASP 77 Cb 0.55 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1vsa n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1vsa n LYS 78 N 1.63 0.00 -0.16 -0.67 0.00 -1.26 -1.41 118.16 116.29 1vsa n LYS 78 Ca 0.26 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1vsa n LYS 78 Cb 0.34 0.00 0.10 0.00 -0.00 0.00 0.00 35.03 35.47 1vsa n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vsa n ARG 79 N -1.65 -0.04 0.00 -1.58 5.12 -1.26 -4.75 116.66 112.50 1vsa n ARG 79 Ca 0.00 0.71 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1vsa n ARG 79 Cb 0.00 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1vsa n ARG 79 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1vsa n ARG 80 N -4.64 0.00 -2.42 5.56 1.85 -0.50 -5.04 116.66 111.47 1vsa n ARG 80 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.72 1vsa n ARG 80 Cb 0.29 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.71 1vsa n ARG 80 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1vsa n ARG 81 N 0.00 3.00 -3.11 2.89 0.63 -1.26 -4.79 116.66 114.02 1vsa n ARG 81 Ca 0.00 -4.16 -0.20 0.00 -0.92 0.00 0.00 57.85 52.57 1vsa n ARG 81 Cb 0.00 -2.06 -0.04 0.00 0.45 0.00 0.00 32.46 30.82 1vsa n ARG 81 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1vsa n ARG 82 N -0.48 0.78 -0.13 -0.14 1.74 -1.26 -5.00 116.66 112.17 1vsa n ARG 82 Ca 0.33 -2.99 -0.00 0.00 -0.77 0.00 0.00 57.85 54.42 1vsa n ARG 82 Cb 0.77 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1vsa n ARG 82 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1vsa n PRO 83 N 1.18 0.00 0.00 5.56 -0.02 -1.26 -4.00 135.00 136.46 1vsa n PRO 83 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1vsa n PRO 83 Cb 0.58 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1vsa n PRO 83 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1vsa n GLU 84 N 0.35 0.00 -4.14 -0.52 0.28 0.83 -4.03 120.64 113.41 1vsa n GLU 84 Ca -0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1vsa n GLU 84 Cb 0.01 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1vsa n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1vsa s HIS 85 N -0.23 3.20 0.34 -1.84 5.04 -1.14 -4.77 115.29 115.88 1vsa s HIS 85 Ca 0.00 0.14 0.07 0.00 -1.54 0.00 0.00 55.06 53.73 1vsa s HIS 85 Cb 0.00 -1.69 -0.07 0.00 0.04 0.00 0.00 32.58 30.86 1vsa s HIS 85 CO 0.00 0.52 -0.03 0.14 -2.34 0.00 0.00 174.74 173.03 1vsa s VAL 86 N -1.21 1.84 0.30 0.89 -7.23 -1.19 -2.77 120.40 111.04 1vsa s VAL 86 Ca 0.23 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 1vsa s VAL 86 Cb -0.12 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 1vsa s VAL 86 CO 0.15 -0.15 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.88 1vsa s ASP 87 N -3.57 3.26 -0.29 4.85 1.11 -1.15 -3.05 116.67 117.85 1vsa s ASP 87 Ca 0.33 -1.17 -0.15 0.00 0.18 0.00 0.00 52.55 51.74 1vsa s ASP 87 Cb 0.06 -0.26 0.11 0.00 1.07 0.00 0.00 42.92 43.90 1vsa s ASP 87 CO 0.15 -0.23 0.79 0.12 1.18 0.00 0.00 175.17 177.19 1vsa s PHE 88 N -2.78 -0.92 -0.07 4.23 5.36 -1.17 -4.40 117.98 118.23 1vsa s PHE 88 Ca 0.30 1.79 0.04 0.00 -0.96 0.00 0.00 56.93 58.10 1vsa s PHE 88 Cb 0.02 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 1vsa s PHE 88 CO 0.14 -0.45 -0.18 0.12 -1.46 0.00 0.00 175.22 173.38 1vsa s PHE 89 N 1.69 1.98 0.00 10.12 5.36 -1.06 -2.67 117.98 133.40 1vsa s PHE 89 Ca -0.09 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 1vsa s PHE 89 Cb -0.05 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 1vsa s PHE 89 CO -0.18 -0.31 0.00 1.55 -1.46 0.00 0.00 175.22 174.82 1vsa n VAL 90 N 3.52 0.00 -3.96 3.12 3.14 -1.17 -3.00 118.33 119.99 1vsa n VAL 90 Ca -0.20 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 60.96 1vsa n VAL 90 Cb 0.52 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.26 1vsa n VAL 90 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1vsa s LEU 91 N 0.00 3.47 -0.10 6.55 1.43 -1.15 -4.57 118.68 124.31 1vsa s LEU 91 Ca 0.00 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1vsa s LEU 91 Cb 0.00 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1vsa s LEU 91 CO 0.00 -0.30 0.27 -0.55 0.23 0.00 0.00 176.35 176.00 1vsa s SER 92 N -3.92 -0.29 0.22 2.29 0.15 -1.26 -5.01 113.70 105.88 1vsa s SER 92 Ca 0.39 0.55 -0.15 0.00 0.70 0.00 0.00 55.95 57.44 1vsa s SER 92 Cb -0.05 0.53 0.24 0.00 -1.71 0.00 0.00 66.02 65.03 1vsa s SER 92 CO 0.25 -0.11 1.60 -0.78 1.20 0.00 0.00 173.24 175.39 1vsa h ASP 93 N 6.09 -0.89 -1.01 5.45 1.82 -2.02 -3.35 116.42 122.49 1vsa h ASP 93 Ca -0.29 0.23 -0.62 0.00 -0.39 0.00 0.00 57.03 55.95 1vsa h ASP 93 Cb 1.18 0.52 -0.02 0.00 0.68 0.00 0.00 39.33 41.69 1vsa h ASP 93 CO 0.34 -0.27 1.49 -0.62 -1.61 0.00 0.00 179.24 178.58 1vsa n GLU 94 N -5.47 0.92 -0.24 0.28 4.71 -1.26 -4.62 120.64 114.96 1vsa n GLU 94 Ca 0.08 0.21 -0.09 0.00 -0.01 0.00 0.00 57.16 57.35 1vsa n GLU 94 Cb 0.37 -2.47 0.01 0.00 -1.01 0.00 0.00 31.44 28.34 1vsa n GLU 94 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1vsa n PRO 95 N 8.35 0.00 -3.64 3.49 -0.02 -1.26 -4.97 135.00 136.95 1vsa n PRO 95 Ca 0.44 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1vsa n PRO 95 Cb 0.25 -0.24 -0.07 0.00 -0.02 0.00 0.00 33.50 33.42 1vsa n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vsa s VAL 96 N -0.48 0.03 -0.07 -1.45 1.01 -1.14 -4.93 120.40 113.38 1vsa s VAL 96 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1vsa s VAL 96 Cb 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1vsa s VAL 96 CO 0.17 -0.14 -0.14 -1.83 0.00 0.00 0.00 175.10 173.16 1vsa s GLU 97 N -1.40 1.91 0.37 2.72 -1.05 -1.26 -1.78 118.70 118.21 1vsa s GLU 97 Ca -0.11 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.25 1vsa s GLU 97 Cb -0.02 -1.56 -0.01 0.00 -0.44 0.00 0.00 34.13 32.10 1vsa s GLU 97 CO 0.06 0.03 0.07 -0.12 0.95 0.00 0.00 175.26 176.26 1vsa n MET 98 N 3.83 0.78 -2.97 -4.83 1.56 -1.17 -4.76 117.12 109.56 1vsa n MET 98 Ca -0.22 -2.91 -0.36 0.00 -0.27 0.00 0.00 57.70 53.94 1vsa n MET 98 Cb 0.52 1.26 -0.02 0.00 2.15 0.00 0.00 33.22 37.14 1vsa n MET 98 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1vsa n TYR 99 N -0.86 3.04 -0.42 1.12 4.02 -0.90 -2.73 117.16 120.42 1vsa n TYR 99 Ca -0.10 -3.17 -0.28 0.00 -0.01 0.00 0.00 57.90 54.35 1vsa n TYR 99 Cb 0.51 -0.94 0.24 0.00 -0.02 0.00 0.00 39.34 39.13 1vsa n TYR 99 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1vsa n VAL 100 N 0.49 0.00 -1.86 -0.72 0.24 -1.03 -2.89 118.33 112.57 1vsa n VAL 100 Ca 0.34 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 62.03 1vsa n VAL 100 Cb 0.34 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.84 1vsa n VAL 100 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1vsa s PRO 101 N -4.31 2.86 -0.50 7.34 0.02 -1.24 -2.07 135.00 137.11 1vsa s PRO 101 Ca 0.60 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.86 1vsa s PRO 101 Cb -0.15 -4.35 -0.16 0.00 0.02 0.00 0.00 34.50 29.85 1vsa s PRO 101 CO 0.57 -2.42 2.86 1.28 -0.33 0.00 0.00 177.00 178.96 1vsa n LEU 102 N 12.30 5.33 -2.65 -5.54 4.32 -1.17 -0.92 117.00 128.67 1vsa n LEU 102 Ca 0.26 -3.07 -0.30 0.00 -0.02 0.00 0.00 56.01 52.89 1vsa n LEU 102 Cb 0.50 -1.23 -0.08 0.00 -1.62 0.00 0.00 43.42 40.99 1vsa n LEU 102 CO 0.69 1.34 1.22 0.54 -1.22 0.00 0.00 177.39 179.96 1vsa n ARG 103 N 3.07 0.00 -2.85 3.23 1.74 -1.14 -4.71 116.66 116.01 1vsa n ARG 103 Ca 0.46 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.12 1vsa n ARG 103 Cb 0.53 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.46 31.03 1vsa n ARG 103 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1vsa s PHE 104 N 4.66 3.54 -0.01 -1.55 -0.12 -1.26 -1.79 117.98 121.45 1vsa s PHE 104 Ca 0.78 1.43 0.01 0.00 -0.05 0.00 0.00 56.93 59.10 1vsa s PHE 104 Cb -0.82 -3.02 0.00 0.00 -0.63 0.00 0.00 43.02 38.55 1vsa s PHE 104 CO 0.34 -0.10 -0.04 0.08 -0.05 0.00 0.00 175.22 175.46 1vsa s VAL 105 N 1.50 0.33 -0.26 -2.49 1.01 -1.14 -4.94 120.40 114.41 1vsa s VAL 105 Ca 0.43 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1vsa s VAL 105 Cb -0.18 -0.31 0.14 0.00 0.00 0.00 0.00 36.38 36.03 1vsa s VAL 105 CO 0.19 0.11 1.15 -0.83 0.00 0.00 0.00 175.10 175.72 1vsa s GLY 106 N 0.13 -0.04 -0.28 4.51 0.00 -1.26 -2.65 107.32 107.73 1vsa s GLY 106 Ca -0.01 2.77 0.09 0.00 0.00 0.00 0.00 44.72 47.57 1vsa s GLY 106 CO -0.00 1.65 1.18 -1.30 0.00 0.00 0.00 173.10 174.63 1vsa n THR 107 N 1.65 2.36 -1.48 0.90 -2.24 0.54 -4.95 114.28 111.06 1vsa n THR 107 Ca -0.11 -4.01 -0.56 0.00 -2.27 0.00 0.00 64.05 57.10 1vsa n THR 107 Cb 0.57 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1vsa n THR 107 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1vsa n PRO 108 N -0.71 0.10 -0.21 -0.78 -0.02 -1.24 -4.67 135.00 127.48 1vsa n PRO 108 Ca 0.39 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1vsa n PRO 108 Cb 0.94 -1.43 0.43 0.00 -0.02 0.00 0.00 33.50 33.42 1vsa n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsa h ALA 109 N 2.63 1.94 0.06 3.55 0.00 0.03 -1.21 119.26 126.25 1vsa h ALA 109 Ca -0.45 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1vsa h ALA 109 Cb 1.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1vsa h ALA 109 CO 0.64 -0.14 -0.13 0.78 0.00 0.00 0.00 179.25 180.40 1vsa h GLY 110 N 0.57 -0.21 1.81 0.00 0.00 -1.85 -2.84 103.07 100.55 1vsa h GLY 110 Ca 0.39 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.85 1vsa h GLY 110 CO -0.15 -0.13 0.01 -2.08 0.00 0.00 0.00 176.54 174.19 1vsa h VAL 111 N -0.25 1.11 -0.67 4.60 2.07 -1.48 0.76 116.25 122.39 1vsa h VAL 111 Ca 0.03 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.23 1vsa h VAL 111 Cb 0.28 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1vsa h VAL 111 CO -0.09 0.14 0.31 -0.09 0.02 0.00 0.00 177.57 177.86 1vsa h ARG 112 N 0.25 0.53 0.00 1.57 9.65 -1.10 -1.63 114.38 123.65 1vsa h ARG 112 Ca 0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1vsa h ARG 112 Cb 0.15 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1vsa h ARG 112 CO 0.00 0.35 -0.95 0.00 2.80 0.00 0.00 179.97 182.17 1vsa n ALA 113 N -2.42 2.68 0.00 2.80 0.00 -0.80 -4.95 120.51 117.83 1vsa n ALA 113 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1vsa n ALA 113 Cb 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1vsa n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 114 N 1.23 0.77 3.58 0.00 0.00 0.26 -5.11 105.19 105.92 1vsa n GLY 114 Ca 0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1vsa n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsa s GLY 115 N 0.00 2.35 0.11 -0.02 0.00 -0.89 -4.49 107.32 104.39 1vsa s GLY 115 Ca 0.00 -2.20 0.07 0.00 0.00 0.00 0.00 44.72 42.58 1vsa s GLY 115 CO 0.00 -2.06 -0.16 0.14 0.00 0.00 0.00 173.10 171.02 1vsa s VAL 116 N -2.69 1.43 0.39 1.40 1.01 -1.26 -4.66 120.40 116.02 1vsa s VAL 116 Ca 0.34 -1.60 0.03 0.00 0.00 0.00 0.00 61.98 60.75 1vsa s VAL 116 Cb 0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1vsa s VAL 116 CO 0.17 -0.27 0.57 -1.48 0.00 0.00 0.00 175.10 174.09 1vsa s LEU 117 N -2.17 3.84 -0.30 3.92 2.34 -1.26 -2.95 118.68 122.10 1vsa s LEU 117 Ca 0.06 0.12 -0.06 0.00 0.06 0.00 0.00 54.13 54.31 1vsa s LEU 117 Cb -0.08 -3.01 0.16 0.00 -0.56 0.00 0.00 46.19 42.70 1vsa s LEU 117 CO 0.04 -0.53 0.66 -1.10 -1.06 0.00 0.00 176.35 174.35 1vsa s GLN 118 N -4.36 0.55 0.00 1.48 -0.21 -1.15 -4.89 119.66 111.08 1vsa s GLN 118 Ca 0.45 1.18 0.00 0.00 0.02 0.00 0.00 55.36 57.01 1vsa s GLN 118 Cb -0.10 0.69 0.00 0.00 1.00 0.00 0.00 33.01 34.60 1vsa s GLN 118 CO 0.35 -0.39 0.75 0.39 -2.12 0.00 0.00 175.29 174.27 1vsa n GLU 119 N 5.42 1.02 0.00 2.91 4.71 -1.26 -2.77 120.64 130.67 1vsa n GLU 119 Ca -0.07 -1.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.09 1vsa n GLU 119 Cb 0.50 -0.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.94 1vsa n GLU 119 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1vsa n ILE 120 N -0.25 0.00 -3.22 -3.67 5.41 -1.14 -3.22 119.36 113.27 1vsa n ILE 120 Ca 0.00 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.29 1vsa n ILE 120 Cb 0.13 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.02 1vsa n ILE 120 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1vsa s HIS 121 N 0.00 3.25 -0.60 1.39 3.76 -1.17 -4.88 115.29 117.04 1vsa s HIS 121 Ca 0.00 -1.31 0.03 0.00 -0.15 0.00 0.00 55.06 53.63 1vsa s HIS 121 Cb 0.00 -3.91 0.15 0.00 1.11 0.00 0.00 32.58 29.94 1vsa s HIS 121 CO 0.00 -1.14 0.96 0.54 -0.85 0.00 0.00 174.74 174.25 1vsa n ARG 122 N 5.47 0.02 0.00 1.40 1.74 -1.20 -4.59 116.66 119.50 1vsa n ARG 122 Ca -0.05 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1vsa n ARG 122 Cb 0.43 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1vsa n ARG 122 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1vsa n ASP 123 N -1.49 0.00 -3.63 0.55 5.75 -1.26 -3.05 116.55 113.41 1vsa n ASP 123 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1vsa n ASP 123 Cb 0.15 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.20 1vsa n ASP 123 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1vsa s ILE 124 N -0.95 0.00 -0.38 2.12 1.10 -0.88 -4.62 121.20 117.59 1vsa s ILE 124 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.03 1vsa s ILE 124 Cb 0.00 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.64 1vsa s ILE 124 CO 0.00 0.00 0.22 -0.22 -2.11 0.00 0.00 174.94 172.83 1vsa s LEU 125 N -1.10 4.80 0.06 8.50 2.96 -1.13 -2.13 118.68 130.64 1vsa s LEU 125 Ca 0.08 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1vsa s LEU 125 Cb -0.01 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1vsa s LEU 125 CO -0.07 -0.41 -0.05 0.68 -1.32 0.00 0.00 176.35 175.19 1vsa s VAL 126 N 1.56 0.39 -0.19 1.68 -7.23 -1.11 -3.16 120.40 112.34 1vsa s VAL 126 Ca 0.02 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1vsa s VAL 126 Cb -0.19 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1vsa s VAL 126 CO 0.07 -0.78 0.26 -0.75 -0.31 0.00 0.00 175.10 173.58 1vsa s LYS 127 N -3.12 4.20 0.04 4.82 2.20 -0.24 -3.07 119.74 124.57 1vsa s LYS 127 Ca 0.02 -0.01 -0.09 0.00 -0.36 0.00 0.00 55.97 55.53 1vsa s LYS 127 Cb 0.01 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1vsa s LYS 127 CO -0.05 0.16 0.18 0.54 -0.36 0.00 0.00 175.35 175.82 1vsa s VAL 128 N 0.72 0.11 0.56 4.02 0.11 -0.73 -2.37 120.40 122.82 1vsa s VAL 128 Ca 0.14 -0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 58.08 1vsa s VAL 128 Cb -0.13 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1vsa s VAL 128 CO 0.04 -0.50 1.24 -0.44 -3.33 0.00 0.00 175.10 172.10 1vsa s SER 129 N -2.05 5.36 0.49 3.54 0.01 -1.25 -2.86 113.70 116.92 1vsa s SER 129 Ca -0.06 2.47 0.26 0.00 1.31 0.00 0.00 55.95 59.93 1vsa s SER 129 Cb -0.01 -2.61 1.32 0.00 0.21 0.00 0.00 66.02 64.93 1vsa s SER 129 CO -0.04 -1.49 1.87 -0.65 0.41 0.00 0.00 173.24 173.35 1vsa h PRO 130 N 1.21 0.16 0.11 12.44 0.11 -1.84 1.12 132.00 145.31 1vsa h PRO 130 Ca -0.50 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 65.24 1vsa h PRO 130 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1vsa h PRO 130 CO 0.56 0.11 -1.97 0.54 -0.21 0.00 0.00 178.00 177.03 1vsa n ARG 131 N -4.38 0.74 0.00 1.05 1.74 -1.26 -3.68 116.66 110.87 1vsa n ARG 131 Ca 0.19 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1vsa n ARG 131 Cb 0.87 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1vsa n ARG 131 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1vsa n ASN 132 N -3.43 0.02 -4.55 0.55 4.13 0.27 -4.80 115.26 107.45 1vsa n ASN 132 Ca -0.30 -1.78 -0.14 0.00 1.68 0.00 0.00 54.58 54.04 1vsa n ASN 132 Cb 1.05 -0.01 -0.09 0.00 -1.54 0.00 0.00 39.78 39.19 1vsa n ASN 132 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1vsa n ILE 133 N -0.49 0.00 -1.24 2.41 2.08 0.36 -4.55 119.36 117.93 1vsa n ILE 133 Ca 0.00 -0.46 -0.33 0.00 0.56 0.00 0.00 62.75 62.52 1vsa n ILE 133 Cb 0.00 -1.79 0.11 0.00 -0.75 0.00 0.00 39.64 37.21 1vsa n ILE 133 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1vsa s PRO 134 N 8.69 1.89 -0.03 0.38 0.04 -1.26 -4.98 135.00 139.73 1vsa s PRO 134 Ca 0.95 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 1vsa s PRO 134 Cb -0.19 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1vsa s PRO 134 CO 0.14 -2.00 0.08 1.05 0.04 0.00 0.00 177.00 176.31 1vsa h GLU 135 N -0.78 -0.03 -2.93 4.56 9.09 -1.92 -3.48 114.58 119.10 1vsa h GLU 135 Ca -0.46 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 58.77 1vsa h GLU 135 Cb 1.28 0.01 -0.30 0.00 -1.65 0.00 0.00 28.75 28.09 1vsa h GLU 135 CO 0.48 -0.02 -0.46 -0.59 0.05 0.00 0.00 179.01 178.47 1vsa s PHE 136 N -1.34 -0.39 0.23 2.06 -0.12 -1.26 -4.06 117.98 113.09 1vsa s PHE 136 Ca -0.00 0.90 -0.04 0.00 -0.05 0.00 0.00 56.93 57.74 1vsa s PHE 136 Cb 0.00 0.07 0.06 0.00 -0.63 0.00 0.00 43.02 42.52 1vsa s PHE 136 CO 0.01 -0.27 0.24 1.51 -0.05 0.00 0.00 175.22 176.66 1vsa n ILE 137 N 4.41 0.00 -4.38 -4.49 3.06 -0.10 -4.83 119.36 113.04 1vsa n ILE 137 Ca -0.22 -0.13 -0.24 0.00 -2.50 0.00 0.00 62.75 59.65 1vsa n ILE 137 Cb 0.53 -1.35 -0.09 0.00 0.54 0.00 0.00 39.64 39.27 1vsa n ILE 137 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1vsa s GLU 138 N -3.53 1.94 -0.08 9.51 2.12 -1.26 -2.89 118.70 124.51 1vsa s GLU 138 Ca 0.15 -1.56 -0.05 0.00 0.36 0.00 0.00 54.97 53.87 1vsa s GLU 138 Cb -0.01 -1.97 0.03 0.00 0.26 0.00 0.00 34.13 32.44 1vsa s GLU 138 CO 0.11 0.36 0.19 0.08 -0.54 0.00 0.00 175.26 175.46 1vsa s VAL 139 N -2.28 -0.03 -0.04 3.70 1.01 -0.74 -4.80 120.40 117.22 1vsa s VAL 139 Ca 0.29 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1vsa s VAL 139 Cb -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.05 1vsa s VAL 139 CO 0.16 0.04 -0.00 -0.62 0.00 0.00 0.00 175.10 174.68 1vsa s ASP 140 N 0.81 0.81 -0.10 3.32 -1.08 -1.23 -2.87 116.67 116.33 1vsa s ASP 140 Ca -0.06 -0.05 -0.05 0.00 -0.52 0.00 0.00 52.55 51.88 1vsa s ASP 140 Cb -0.07 -0.30 0.05 0.00 -1.46 0.00 0.00 42.92 41.13 1vsa s ASP 140 CO -0.05 -0.12 0.23 -0.69 0.52 0.00 0.00 175.17 175.06 1vsa s VAL 141 N 1.27 -0.06 0.00 1.11 1.01 -1.08 -4.96 120.40 117.68 1vsa s VAL 141 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1vsa s VAL 141 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1vsa s VAL 141 CO -0.02 0.07 0.00 -1.20 0.00 0.00 0.00 175.10 173.95 1vsa n SER 142 N 4.30 0.00 -1.99 3.32 7.64 -1.26 -0.33 113.62 125.29 1vsa n SER 142 Ca -0.24 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.50 1vsa n SER 142 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1vsa n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vsa n GLY 143 N 3.51 3.42 3.63 0.23 0.00 -1.26 -3.10 105.19 111.62 1vsa n GLY 143 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1vsa n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsa s LEU 144 N -0.86 4.07 0.23 0.99 2.01 -1.26 -4.73 118.68 119.13 1vsa s LEU 144 Ca 0.44 0.72 -0.08 0.00 0.01 0.00 0.00 54.13 55.22 1vsa s LEU 144 Cb 0.25 -2.89 -0.07 0.00 0.01 0.00 0.00 46.19 43.49 1vsa s LEU 144 CO -0.06 -0.40 0.53 -1.61 1.01 0.00 0.00 176.35 175.82 1vsa s GLU 145 N 2.56 3.74 -1.05 1.70 8.01 -1.26 0.41 118.70 132.82 1vsa s GLU 145 Ca 0.27 0.17 -0.17 0.00 0.01 0.00 0.00 54.97 55.25 1vsa s GLU 145 Cb -0.15 -2.67 -0.08 0.00 -4.31 0.00 0.00 34.13 26.92 1vsa s GLU 145 CO 0.09 0.31 2.09 0.44 0.01 0.00 0.00 175.26 178.20 1vsa n ILE 146 N -0.28 2.52 -0.55 -1.63 -0.00 -1.26 -3.06 119.36 115.10 1vsa n ILE 146 Ca -0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 62.75 60.66 1vsa n ILE 146 Cb 0.53 -2.41 0.00 0.00 -0.00 0.00 0.00 39.64 37.75 1vsa n ILE 146 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1vsa n GLY 147 N 4.28 0.28 3.96 3.28 0.00 -1.12 -4.54 105.19 111.32 1vsa n GLY 147 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 1vsa n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vsa s ASP 148 N 0.00 5.05 0.24 1.61 1.11 -1.17 -5.02 116.67 118.49 1vsa s ASP 148 Ca 0.00 -0.87 -0.18 0.00 0.18 0.00 0.00 52.55 51.68 1vsa s ASP 148 Cb 0.00 -0.03 0.02 0.00 1.07 0.00 0.00 42.92 43.98 1vsa s ASP 148 CO 0.00 -1.02 0.61 -0.94 1.18 0.00 0.00 175.17 174.99 1vsa s SER 149 N -4.38 -0.24 -0.18 0.27 1.04 -1.26 -2.67 113.70 106.27 1vsa s SER 149 Ca 0.50 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1vsa s SER 149 Cb -0.05 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1vsa s SER 149 CO 0.31 -1.20 -0.05 -0.22 0.98 0.00 0.00 173.24 173.05 1vsa s LEU 150 N -2.92 1.78 -0.18 2.42 1.98 0.63 -4.94 118.68 117.45 1vsa s LEU 150 Ca 0.13 -0.77 0.01 0.00 -2.89 0.00 0.00 54.13 50.60 1vsa s LEU 150 Cb -0.03 -0.95 0.03 0.00 0.66 0.00 0.00 46.19 45.90 1vsa s LEU 150 CO 0.04 -0.20 -0.12 -1.38 -1.89 0.00 0.00 176.35 172.80 1vsa s HIS 151 N 1.60 2.29 0.00 5.38 -3.43 -1.26 -0.76 115.29 119.10 1vsa s HIS 151 Ca -0.01 -1.42 0.00 0.00 -0.80 0.00 0.00 55.06 52.84 1vsa s HIS 151 Cb -0.16 -1.61 0.00 0.00 -1.43 0.00 0.00 32.58 29.38 1vsa s HIS 151 CO -0.08 -0.71 0.00 0.00 -2.00 0.00 0.00 174.74 171.96 1vsa n ALA 152 N 4.73 0.00 0.00 -1.38 0.00 0.95 -2.80 120.51 122.01 1vsa n ALA 152 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1vsa n ALA 152 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1vsa n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vsa n SER 153 N 0.67 0.00 0.00 0.00 3.41 -1.16 -2.85 113.62 113.68 1vsa n SER 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vsa n SER 153 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vsa n SER 153 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vsa n ASP 154 N -0.17 0.00 -3.45 4.04 10.43 -1.12 -4.43 116.55 121.84 1vsa n ASP 154 Ca 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.22 1vsa n ASP 154 Cb 0.00 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.10 1vsa n ASP 154 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1vsa n LEU 155 N -1.15 0.00 -3.72 0.64 -0.00 -1.13 -5.01 117.00 106.63 1vsa n LEU 155 Ca 0.00 -0.41 -0.29 0.00 -0.00 0.00 0.00 56.01 55.31 1vsa n LEU 155 Cb 0.00 -0.70 -0.16 0.00 -0.00 0.00 0.00 43.42 42.56 1vsa n LEU 155 CO 0.00 -2.36 -0.35 -0.54 -0.00 0.00 0.00 177.39 174.15 1vsa s LYS 156 N -3.41 0.66 -0.93 1.96 1.02 -1.26 -5.09 119.74 112.68 1vsa s LYS 156 Ca 0.32 -0.77 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 1vsa s LYS 156 Cb -0.06 -1.95 -0.21 0.00 -0.52 0.00 0.00 37.83 35.09 1vsa s LYS 156 CO 0.27 -0.85 2.60 1.47 -0.92 0.00 0.00 175.35 177.91 1vsa n LEU 157 N 4.96 0.39 -4.35 3.17 -0.00 -1.26 -4.94 117.00 114.98 1vsa n LEU 157 Ca -0.05 -0.01 -0.30 0.00 -0.00 0.00 0.00 56.01 55.64 1vsa n LEU 157 Cb 0.44 -0.98 0.28 0.00 -0.00 0.00 0.00 43.42 43.16 1vsa n LEU 157 CO 0.11 -0.94 0.43 -2.84 -0.00 0.00 0.00 177.39 174.15 1vsa s PRO 158 N 8.70 -2.46 0.35 1.47 0.02 -1.26 -4.88 135.00 136.94 1vsa s PRO 158 Ca 1.30 0.32 -0.28 0.00 0.02 0.00 0.00 61.00 62.35 1vsa s PRO 158 Cb -1.06 -1.42 -0.11 0.00 0.02 0.00 0.00 34.50 31.94 1vsa s PRO 158 CO 0.46 -4.61 1.42 -2.14 -0.33 0.00 0.00 177.00 171.80 1vsa s PRO 159 N -4.90 4.21 0.00 5.54 0.02 -1.26 -2.37 135.00 136.23 1vsa s PRO 159 Ca 0.69 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1vsa s PRO 159 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1vsa s PRO 159 CO 0.60 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 1vsa n GLY 160 N 0.71 0.13 3.68 0.52 0.00 -1.26 -4.95 105.19 104.03 1vsa n GLY 160 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1vsa n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsa s VAL 161 N -1.32 2.38 -0.29 1.61 1.01 -1.00 -3.86 120.40 118.93 1vsa s VAL 161 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 1vsa s VAL 161 Cb 0.00 -2.93 0.15 0.00 0.00 0.00 0.00 36.38 33.60 1vsa s VAL 161 CO 0.00 -0.07 0.96 -1.83 0.00 0.00 0.00 175.10 174.16 1vsa s GLU 162 N -3.81 0.36 -0.10 2.72 4.04 -1.00 -4.74 118.70 116.17 1vsa s GLU 162 Ca 0.38 0.73 -0.29 0.00 0.04 0.00 0.00 54.97 55.83 1vsa s GLU 162 Cb 0.03 0.25 -0.06 0.00 0.02 0.00 0.00 34.13 34.38 1vsa s GLU 162 CO 0.21 -0.09 1.82 -0.51 -1.84 0.00 0.00 175.26 174.85 1vsa s LEU 163 N 1.84 4.09 -0.86 1.83 1.02 -1.26 -1.07 118.68 124.26 1vsa s LEU 163 Ca -0.06 2.12 -0.01 0.00 0.02 0.00 0.00 54.13 56.20 1vsa s LEU 163 Cb -0.05 -3.53 0.35 0.00 0.02 0.00 0.00 46.19 42.98 1vsa s LEU 163 CO -0.16 -1.23 1.83 0.00 0.02 0.00 0.00 176.35 176.81 1vsa n ALA 164 N 8.37 6.17 -2.09 4.21 0.00 -1.19 -4.88 120.51 131.09 1vsa n ALA 164 Ca 0.20 -4.33 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1vsa n ALA 164 Cb 0.43 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1vsa n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vsa n VAL 165 N -0.36 0.00 -2.76 0.00 0.24 -1.26 -4.84 118.33 109.35 1vsa n VAL 165 Ca 0.49 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.44 1vsa n VAL 165 Cb 0.28 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1vsa n VAL 165 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1vsa s SER 166 N 1.91 7.06 0.00 -1.34 0.15 -1.26 -4.97 113.70 115.24 1vsa s SER 166 Ca 0.00 1.81 0.24 0.00 0.70 0.00 0.00 55.95 58.70 1vsa s SER 166 Cb 0.00 -2.56 1.09 0.00 -1.71 0.00 0.00 66.02 62.83 1vsa s SER 166 CO 0.00 -0.27 1.78 -2.65 1.20 0.00 0.00 173.24 173.29 1vsa n PRO 167 N -0.08 0.12 -2.70 5.44 -0.02 -1.26 -3.68 135.00 132.81 1vsa n PRO 167 Ca 0.05 0.08 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1vsa n PRO 167 Cb 0.52 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.59 1vsa n PRO 167 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1vsa n GLU 168 N -1.43 0.80 -3.64 -0.52 2.13 -1.26 -3.01 120.64 113.72 1vsa n GLU 168 Ca 0.08 -1.54 -0.40 0.00 0.66 0.00 0.00 57.16 55.97 1vsa n GLU 168 Cb 0.25 -0.51 -0.11 0.00 0.27 0.00 0.00 31.44 31.34 1vsa n GLU 168 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1vsa s GLU 169 N 0.18 2.61 -0.28 5.31 2.56 -1.25 -4.66 118.70 123.17 1vsa s GLU 169 Ca 0.20 -1.38 -0.29 0.00 0.00 0.00 0.00 54.97 53.50 1vsa s GLU 169 Cb 0.29 -3.71 -0.03 0.00 2.00 0.00 0.00 34.13 32.69 1vsa s GLU 169 CO -0.09 -0.88 1.81 0.99 -0.56 0.00 0.00 175.26 176.54 1vsa s THR 170 N 1.42 3.46 0.00 -1.70 2.01 -1.26 -0.03 115.64 119.54 1vsa s THR 170 Ca 0.02 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1vsa s THR 170 Cb -0.22 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1vsa s THR 170 CO 0.02 -0.32 0.90 2.30 -0.69 0.00 0.00 174.62 176.83 1vsa n ILE 171 N 7.17 0.81 -3.55 1.82 -0.00 0.06 -4.91 119.36 120.76 1vsa n ILE 171 Ca 0.23 -0.84 -0.07 0.00 -0.00 0.00 0.00 62.75 62.07 1vsa n ILE 171 Cb 0.46 0.60 -0.02 0.00 -0.00 0.00 0.00 39.64 40.68 1vsa n ILE 171 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1vsa s ALA 172 N -0.81 -1.88 0.00 -1.28 0.00 -1.15 -2.90 121.76 113.74 1vsa s ALA 172 Ca 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1vsa s ALA 172 Cb 0.00 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1vsa s ALA 172 CO 0.00 -0.71 0.58 0.00 0.00 0.00 0.00 175.76 175.63 1vsa n ALA 173 N -0.24 -1.62 -3.03 0.00 0.00 -1.11 -0.27 120.51 114.24 1vsa n ALA 173 Ca -0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1vsa n ALA 173 Cb 0.61 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 20.02 1vsa n ALA 173 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vsa s VAL 174 N -2.13 -0.01 0.00 0.00 1.01 -1.09 -2.93 120.40 115.26 1vsa s VAL 174 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1vsa s VAL 174 Cb -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.30 1vsa s VAL 174 CO 0.00 0.01 0.00 0.52 0.00 0.00 0.00 175.10 175.63 1vsa n VAL 175 N 3.21 0.00 -2.18 2.92 0.31 -1.15 -2.80 118.33 118.63 1vsa n VAL 175 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1vsa n VAL 175 Cb 0.58 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.57 1vsa n VAL 175 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1vsa n PRO 176 N 0.00 0.14 0.00 5.55 -0.04 -1.26 -4.38 135.00 135.01 1vsa n PRO 176 Ca 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1vsa n PRO 176 Cb 0.00 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1vsa n PRO 176 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1vsa n PRO 177 N -1.84 1.88 0.00 0.54 -0.04 -1.26 -4.92 135.00 129.37 1vsa n PRO 177 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1vsa n PRO 177 Cb 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1vsa n PRO 177 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vsa n GLU 178 N 0.00 0.54 -0.10 0.54 1.02 -1.26 -5.06 120.64 116.32 1vsa n GLU 178 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1vsa n GLU 178 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1vsa n GLU 178 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vsa n ASP 179 N 0.00 1.96 -0.69 1.62 2.03 -1.26 -4.59 116.55 115.62 1vsa n ASP 179 Ca 0.00 -0.09 0.07 0.00 0.52 0.00 0.00 54.79 55.29 1vsa n ASP 179 Cb 0.00 -0.01 0.19 0.00 -0.72 0.00 0.00 41.12 40.58 1vsa n ASP 179 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1vsa n VAL 180 N -2.99 1.61 0.16 5.18 3.14 -1.26 -4.43 118.33 119.74 1vsa n VAL 180 Ca -0.35 -1.44 0.04 0.00 -2.96 0.00 0.00 64.34 59.62 1vsa n VAL 180 Cb 0.94 0.13 0.45 0.00 -1.06 0.00 0.00 33.84 34.31 1vsa n VAL 180 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1vsa h GLU 181 N 1.71 0.14 0.00 1.45 4.81 -1.98 -3.47 114.58 117.25 1vsa h GLU 181 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1vsa h GLU 181 Cb 1.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1vsa h GLU 181 CO 0.10 0.27 0.00 1.63 -0.73 0.00 0.00 179.01 180.28 1vsa n LYS 182 N -4.32 0.00 -0.11 1.92 5.02 -1.26 -4.97 118.16 114.43 1vsa n LYS 182 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1vsa n LYS 182 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1vsa n LYS 182 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1vsa n LEU 183 N 0.00 1.48 0.00 -0.35 7.94 -1.26 -2.13 117.00 122.68 1vsa n LEU 183 Ca 0.00 -0.68 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 1vsa n LEU 183 Cb 0.00 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.65 1vsa n LEU 183 CO 0.00 0.27 0.00 0.00 -1.11 0.00 0.00 177.39 176.55 1vsa n ALA 184 N 1.58 0.00 1.23 1.96 0.00 -1.26 -5.17 120.51 118.84 1vsa n ALA 184 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1vsa n ALA 184 Cb 0.16 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.90 1vsa n ALA 184 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59