#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n ASP 4 N 0.00 2.87 0.00 -1.43 9.92 -1.26 -4.93 116.55 121.71 1vsa n ASP 4 Ca 0.00 -3.33 0.00 0.00 -0.53 0.00 0.00 54.79 50.93 1vsa n ASP 4 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 1vsa n ASP 4 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1vsa n LEU 5 N 0.40 0.00 0.00 0.64 7.99 -1.26 -4.89 117.00 119.89 1vsa n LEU 5 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 1vsa n LEU 5 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1vsa n LEU 5 CO 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.19 1vsa n ALA 6 N -3.00 0.00 -0.11 -1.18 0.00 -1.26 -3.04 120.51 111.93 1vsa n ALA 6 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1vsa n ALA 6 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1vsa n ALA 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vsa n LEU 7 N 0.00 -0.11 0.00 0.00 7.94 -1.26 -1.13 117.00 122.44 1vsa n LEU 7 Ca 0.00 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1vsa n LEU 7 Cb 0.00 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1vsa n LEU 7 CO 0.00 -0.49 0.00 0.29 -1.11 0.00 0.00 177.39 176.08 1vsa n LYS 8 N -4.48 0.00 0.00 1.96 4.76 -1.22 0.08 118.16 119.26 1vsa n LYS 8 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1vsa n LYS 8 Cb 0.15 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1vsa n LYS 8 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1vsa n ARG 9 N 0.00 0.00 0.00 1.97 1.85 -1.16 -1.35 116.66 117.97 1vsa n ARG 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1vsa n ARG 9 Cb 0.00 -1.25 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 1vsa n ARG 9 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1vsa n LYS 10 N -0.71 0.00 -0.14 2.89 0.00 -0.28 -4.15 118.16 115.77 1vsa n LYS 10 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1vsa n LYS 10 Cb 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 35.03 35.07 1vsa n LYS 10 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1vsa h TYR 11 N 0.00 0.07 0.00 5.64 3.20 -0.26 0.71 116.97 126.33 1vsa h TYR 11 Ca 0.00 0.03 -0.40 0.00 3.14 0.00 0.00 58.73 61.50 1vsa h TYR 11 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1vsa h TYR 11 CO 0.00 -0.04 1.98 0.66 -1.64 0.00 0.00 178.16 179.11 1vsa n TYR 12 N -5.15 1.23 0.00 -3.82 0.53 -0.46 -1.57 117.16 107.91 1vsa n TYR 12 Ca 0.04 -2.11 0.00 0.00 -1.02 0.00 0.00 57.90 54.81 1vsa n TYR 12 Cb 0.23 -1.88 0.00 0.00 -1.03 0.00 0.00 39.34 36.67 1vsa n TYR 12 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 1vsa n GLU 13 N 3.34 0.00 0.00 -0.72 2.13 -1.15 -4.51 120.64 119.73 1vsa n GLU 13 Ca 0.54 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1vsa n GLU 13 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.12 1vsa n GLU 13 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1vsa n GLU 14 N 0.00 0.00 -0.08 5.31 -0.58 0.25 -4.52 120.64 121.01 1vsa n GLU 14 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1vsa n GLU 14 Cb 0.00 -0.63 -0.03 0.00 -0.57 0.00 0.00 31.44 30.21 1vsa n GLU 14 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1vsa h VAL 15 N 0.00 1.15 0.28 2.62 2.07 -1.14 -2.73 116.25 118.50 1vsa h VAL 15 Ca 0.00 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1vsa h VAL 15 Cb 0.70 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1vsa h VAL 15 CO 0.00 0.16 -0.36 0.03 0.02 0.00 0.00 177.57 177.42 1vsa h ARG 16 N 0.30 -0.63 0.00 1.57 3.08 -1.84 0.33 114.38 117.19 1vsa h ARG 16 Ca 0.09 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1vsa h ARG 16 Cb 0.13 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1vsa h ARG 16 CO -0.01 -0.42 0.11 -0.35 -1.07 0.00 0.00 179.97 178.23 1vsa n PRO 17 N -4.54 0.02 -0.00 0.04 -0.04 -1.20 -1.55 135.00 127.72 1vsa n PRO 17 Ca -0.08 0.43 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1vsa n PRO 17 Cb 0.31 -1.67 -0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1vsa n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1vsa n GLU 18 N -1.52 0.01 -0.04 0.54 4.07 -0.83 -4.44 120.64 118.43 1vsa n GLU 18 Ca -0.00 0.25 -0.01 0.00 -0.06 0.00 0.00 57.16 57.34 1vsa n GLU 18 Cb 0.11 -0.77 -0.01 0.00 -0.06 0.00 0.00 31.44 30.72 1vsa n GLU 18 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1vsa n LEU 19 N -2.32 -0.11 0.00 4.31 4.32 0.05 -2.95 117.00 120.30 1vsa n LEU 19 Ca -0.00 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1vsa n LEU 19 Cb 0.01 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1vsa n LEU 19 CO 0.00 -0.19 0.00 0.00 -1.22 0.00 0.00 177.39 175.99 1vsa n ILE 20 N -3.35 0.00 0.13 -0.08 3.06 -0.84 0.32 119.36 118.60 1vsa n ILE 20 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1vsa n ILE 20 Cb 0.03 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.27 1vsa n ILE 20 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1vsa h ARG 21 N 0.00 0.00 -2.69 9.51 9.65 -1.84 -3.32 114.38 125.69 1vsa h ARG 21 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1vsa h ARG 21 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1vsa h ARG 21 CO 0.00 0.62 0.25 -2.13 2.80 0.00 0.00 179.97 181.51 1vsa n ARG 22 N -3.37 0.52 0.00 0.20 3.00 0.15 -4.50 116.66 112.66 1vsa n ARG 22 Ca 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 1vsa n ARG 22 Cb 0.73 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.58 1vsa n ARG 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1vsa n PHE 23 N 2.80 0.00 -3.30 -0.14 7.35 -1.17 -4.73 117.46 118.27 1vsa n PHE 23 Ca 0.11 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.34 1vsa n PHE 23 Cb 0.24 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.02 1vsa n PHE 23 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1vsa s GLY 24 N 0.00 2.16 0.36 7.13 0.00 -1.26 -4.57 107.32 111.14 1vsa s GLY 24 Ca 0.00 -2.64 0.06 0.00 0.00 0.00 0.00 44.72 42.14 1vsa s GLY 24 CO 0.00 1.24 0.51 -0.19 0.00 0.00 0.00 173.10 174.66 1vsa s TYR 25 N 1.46 3.06 0.00 1.90 1.51 -1.26 -5.11 117.35 118.91 1vsa s TYR 25 Ca 0.06 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1vsa s TYR 25 Cb -0.26 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1vsa s TYR 25 CO 0.01 -0.12 0.00 0.94 -1.11 0.00 0.00 175.55 175.27 1vsa n GLN 26 N -1.72 0.00 -2.54 -0.62 -0.06 -1.26 -5.11 117.38 106.08 1vsa n GLN 26 Ca 0.02 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.68 1vsa n GLN 26 Cb 0.58 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.72 1vsa n GLN 26 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1vsa s ASN 27 N 0.78 6.51 -0.02 1.69 3.84 -1.26 -5.02 114.94 121.46 1vsa s ASN 27 Ca 0.00 1.77 -0.20 0.00 0.21 0.00 0.00 52.86 54.64 1vsa s ASN 27 Cb 0.00 -2.54 -0.12 0.00 -0.55 0.00 0.00 41.25 38.04 1vsa s ASN 27 CO 0.00 -0.66 0.87 0.58 -2.79 0.00 0.00 177.10 175.09 1vsa h VAL 28 N 1.40 0.15 0.00 -5.21 2.07 -1.99 -3.11 116.25 109.56 1vsa h VAL 28 Ca -0.48 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1vsa h VAL 28 Cb 1.20 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1vsa h VAL 28 CO 0.60 0.03 0.00 0.79 0.02 0.00 0.00 177.57 179.01 1vsa n TRP 29 N -5.21 0.00 -2.15 1.57 8.01 -1.26 -2.20 117.44 116.21 1vsa n TRP 29 Ca -0.09 -0.02 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1vsa n TRP 29 Cb 0.28 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.31 29.51 1vsa n TRP 29 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1vsa n GLU 30 N 0.22 0.00 -1.62 -0.99 4.07 -1.21 -5.04 120.64 116.06 1vsa n GLU 30 Ca 0.00 -1.14 -0.00 0.00 -0.06 0.00 0.00 57.16 55.96 1vsa n GLU 30 Cb 0.17 -0.18 -0.00 0.00 -0.06 0.00 0.00 31.44 31.37 1vsa n GLU 30 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1vsa n VAL 31 N 0.15 0.00 -0.05 6.31 3.14 -0.93 -4.78 118.33 122.16 1vsa n VAL 31 Ca -0.01 -0.04 -0.01 0.00 -2.96 0.00 0.00 64.34 61.32 1vsa n VAL 31 Cb 0.80 -0.41 -0.00 0.00 -1.06 0.00 0.00 33.84 33.17 1vsa n VAL 31 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1vsa n PRO 32 N -0.44 0.14 0.00 1.45 -0.02 -1.26 -4.75 135.00 130.12 1vsa n PRO 32 Ca -0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1vsa n PRO 32 Cb 0.01 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1vsa n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vsa n ARG 33 N 4.37 0.00 -3.80 -0.52 5.12 -1.26 -5.00 116.66 115.58 1vsa n ARG 33 Ca 0.03 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 1vsa n ARG 33 Cb 0.02 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.35 1vsa n ARG 33 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1vsa n LEU 34 N 0.00 0.00 0.00 0.55 7.94 -1.26 -4.79 117.00 119.44 1vsa n LEU 34 Ca 0.00 -2.25 0.00 0.00 -1.11 0.00 0.00 56.01 52.65 1vsa n LEU 34 Cb 0.00 3.53 0.00 0.00 0.53 0.00 0.00 43.42 47.48 1vsa n LEU 34 CO 0.00 -0.75 0.00 -0.62 -1.11 0.00 0.00 177.39 174.91 1vsa n GLU 35 N -0.59 0.00 -3.79 1.96 1.02 -1.14 -4.30 120.64 113.79 1vsa n GLU 35 Ca -0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.98 1vsa n GLU 35 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.97 1vsa n GLU 35 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1vsa s LYS 36 N -0.64 1.41 -0.35 3.49 -0.14 -0.69 -5.00 119.74 117.82 1vsa s LYS 36 Ca 0.00 -0.93 0.04 0.00 -1.36 0.00 0.00 55.97 53.71 1vsa s LYS 36 Cb 0.00 0.51 0.10 0.00 -1.68 0.00 0.00 37.83 36.76 1vsa s LYS 36 CO 0.00 -0.60 0.06 0.08 -0.76 0.00 0.00 175.35 174.13 1vsa s VAL 37 N -3.90 2.32 -0.11 3.17 1.01 -1.16 -3.07 120.40 118.66 1vsa s VAL 37 Ca 0.11 -2.37 -0.15 0.00 0.00 0.00 0.00 61.98 59.57 1vsa s VAL 37 Cb -0.01 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1vsa s VAL 37 CO -0.01 -0.61 0.37 -0.69 0.00 0.00 0.00 175.10 174.16 1vsa s VAL 38 N 0.88 5.22 -0.13 2.92 1.01 -1.12 -3.02 120.40 126.16 1vsa s VAL 38 Ca 0.11 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1vsa s VAL 38 Cb -0.19 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1vsa s VAL 38 CO -0.08 0.42 -0.12 -0.63 0.00 0.00 0.00 175.10 174.69 1vsa s ILE 39 N 0.15 1.34 0.04 2.22 1.09 -1.16 -2.96 121.20 121.92 1vsa s ILE 39 Ca 0.21 -0.49 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 1vsa s ILE 39 Cb -0.14 -1.29 0.00 0.00 -1.06 0.00 0.00 42.46 39.97 1vsa s ILE 39 CO 0.08 0.42 0.17 0.21 -0.10 0.00 0.00 174.94 175.72 1vsa s ASN 40 N 1.53 0.07 0.02 3.58 3.84 -1.16 -2.95 114.94 119.87 1vsa s ASN 40 Ca 0.04 -0.40 -0.12 0.00 0.21 0.00 0.00 52.86 52.58 1vsa s ASN 40 Cb -0.13 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 40.86 1vsa s ASN 40 CO -0.09 -0.54 0.26 -1.58 -2.79 0.00 0.00 177.10 172.36 1vsa s GLN 41 N -2.55 0.69 0.07 0.43 -0.44 -1.15 -2.93 119.66 113.77 1vsa s GLN 41 Ca -0.05 -0.40 -0.17 0.00 -2.50 0.00 0.00 55.36 52.24 1vsa s GLN 41 Cb -0.01 0.30 0.03 0.00 -1.64 0.00 0.00 33.01 31.69 1vsa s GLN 41 CO -0.04 -0.20 0.40 0.20 0.50 0.00 0.00 175.29 176.15 1vsa s GLY 42 N -1.71 -0.25 0.00 2.59 0.00 -1.26 -2.96 107.32 103.73 1vsa s GLY 42 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1vsa s GLY 42 CO 0.00 -0.08 0.00 -0.10 0.00 0.00 0.00 173.10 172.92 1vsa n LEU 43 N 0.31 0.00 0.00 0.66 0.00 -1.17 -4.68 117.00 112.12 1vsa n LEU 43 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1vsa n LEU 43 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.03 1vsa n LEU 43 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.20 1vsa n GLY 44 N 3.86 0.00 3.90 -3.96 0.00 -1.26 -5.12 105.19 102.61 1vsa n GLY 44 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1vsa n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vsa s GLU 45 N 0.00 3.52 0.00 1.61 -1.05 -1.26 -4.83 118.70 116.68 1vsa s GLU 45 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 1vsa s GLU 45 Cb 0.00 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1vsa s GLU 45 CO 0.00 0.59 0.00 0.00 0.95 0.00 0.00 175.26 176.80 1vsa n ALA 46 N 0.52 0.00 -0.96 -0.84 0.00 -1.26 -4.84 120.51 113.14 1vsa n ALA 46 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1vsa n ALA 46 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1vsa n ALA 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vsa n LYS 47 N 0.00 1.10 0.01 0.00 4.81 -1.26 -4.38 118.16 118.44 1vsa n LYS 47 Ca 0.00 -1.60 0.09 0.00 -0.87 0.00 0.00 58.31 55.94 1vsa n LYS 47 Cb 0.00 -2.79 0.40 0.00 0.02 0.00 0.00 35.03 32.67 1vsa n LYS 47 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vsa n GLU 48 N 7.19 0.02 0.00 1.64 -0.58 -1.26 -4.27 120.64 123.38 1vsa n GLU 48 Ca 0.48 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1vsa n GLU 48 Cb 0.40 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1vsa n GLU 48 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1vsa n ASP 49 N -1.56 0.00 0.00 1.62 2.03 -1.26 -4.95 116.55 112.43 1vsa n ASP 49 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1vsa n ASP 49 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1vsa n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vsa n ALA 50 N 0.00 0.00 -0.12 -1.67 0.00 -1.26 -4.80 120.51 112.66 1vsa n ALA 50 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1vsa n ALA 50 Cb 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.33 1vsa n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vsa n ARG 51 N -1.99 0.60 -0.31 0.00 1.74 -1.26 -4.23 116.66 111.20 1vsa n ARG 51 Ca 0.00 0.36 0.15 0.00 -0.77 0.00 0.00 57.85 57.59 1vsa n ARG 51 Cb 0.00 -1.59 0.31 0.00 -1.02 0.00 0.00 32.46 30.16 1vsa n ARG 51 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1vsa h ILE 52 N -0.84 0.17 -1.04 0.55 1.08 -1.94 0.73 117.51 116.22 1vsa h ILE 52 Ca -0.56 -0.03 0.29 0.00 -0.39 0.00 0.00 64.86 64.17 1vsa h ILE 52 Cb 1.57 0.06 -0.13 0.00 -3.07 0.00 0.00 36.82 35.25 1vsa h ILE 52 CO -0.29 0.02 0.62 -0.07 -0.69 0.00 0.00 178.15 177.74 1vsa h LEU 53 N 0.10 0.54 0.00 1.44 3.38 -1.86 0.94 115.31 119.85 1vsa h LEU 53 Ca 0.59 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.70 1vsa h LEU 53 Cb 1.24 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1vsa h LEU 53 CO -0.78 -0.00 -0.11 -1.84 0.09 0.00 0.00 178.44 175.79 1vsa n GLU 54 N -4.87 0.23 -0.02 1.13 -0.00 0.25 -2.94 120.64 114.41 1vsa n GLU 54 Ca 0.29 0.16 -0.11 0.00 -0.00 0.00 0.00 57.16 57.50 1vsa n GLU 54 Cb 0.91 -1.74 -0.06 0.00 -0.00 0.00 0.00 31.44 30.56 1vsa n GLU 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1vsa h LYS 55 N 0.00 0.16 0.33 3.44 3.11 0.14 0.25 116.57 123.99 1vsa h LYS 55 Ca 0.00 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1vsa h LYS 55 Cb 0.70 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 1vsa h LYS 55 CO 0.00 0.27 -0.31 0.00 -2.81 0.00 0.00 179.45 176.60 1vsa h ALA 56 N 0.89 -0.66 -1.04 5.00 0.00 -1.59 0.04 119.26 121.89 1vsa h ALA 56 Ca 0.04 -0.11 0.38 0.00 0.00 0.00 0.00 54.91 55.22 1vsa h ALA 56 Cb 0.17 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1vsa h ALA 56 CO -0.00 -0.90 0.65 0.00 0.00 0.00 0.00 179.25 178.99 1vsa n ALA 57 N -2.58 1.04 -0.96 0.00 0.00 -0.86 -2.18 120.51 114.97 1vsa n ALA 57 Ca -0.09 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1vsa n ALA 57 Cb 0.33 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1vsa n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1vsa n GLN 58 N -4.46 0.00 0.00 0.00 -0.06 0.81 -4.62 117.38 109.04 1vsa n GLN 58 Ca 0.32 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1vsa n GLN 58 Cb 1.22 -0.86 0.00 0.00 -4.06 0.00 0.00 30.24 26.54 1vsa n GLN 58 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1vsa n GLU 59 N -0.56 0.00 0.00 3.69 0.28 -0.93 -4.51 120.64 118.62 1vsa n GLU 59 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1vsa n GLU 59 Cb 0.00 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1vsa n GLU 59 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1vsa n LEU 60 N -0.49 0.00 -0.22 -1.84 4.77 -1.15 -2.48 117.00 115.58 1vsa n LEU 60 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1vsa n LEU 60 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1vsa n LEU 60 CO 0.00 0.00 0.43 0.00 -1.33 0.00 0.00 177.39 176.49 1vsa n ALA 61 N 0.00 -0.34 0.09 -1.18 0.00 -1.26 0.82 120.51 118.64 1vsa n ALA 61 Ca 0.00 0.45 0.19 0.00 0.00 0.00 0.00 53.44 54.08 1vsa n ALA 61 Cb 0.00 0.10 0.74 0.00 0.00 0.00 0.00 19.45 20.29 1vsa n ALA 61 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1vsa h LEU 62 N 0.00 0.00 -0.34 0.00 8.10 -1.56 -1.45 115.31 120.06 1vsa h LEU 62 Ca 0.09 0.00 0.07 0.00 0.11 0.00 0.00 57.88 58.15 1vsa h LEU 62 Cb 0.22 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.36 1vsa h LEU 62 CO -0.50 0.00 -0.15 0.40 -4.11 0.00 0.00 178.44 174.08 1vsa h ILE 63 N 0.00 0.53 -0.61 0.15 1.08 0.59 0.77 117.51 120.01 1vsa h ILE 63 Ca 0.18 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1vsa h ILE 63 Cb 0.83 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1vsa h ILE 63 CO -0.00 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.82 1vsa h THR 64 N -0.09 1.18 0.00 -0.27 1.03 -1.18 -3.47 112.91 110.12 1vsa h THR 64 Ca 0.17 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 1vsa h THR 64 Cb 0.35 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.79 1vsa h THR 64 CO -0.40 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 175.91 1vsa n GLY 65 N -1.12 1.89 3.48 2.99 0.00 0.26 -5.12 105.19 107.57 1vsa n GLY 65 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1vsa n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vsa s GLN 66 N -0.14 0.64 -0.42 1.61 -1.52 -1.17 -5.00 119.66 113.67 1vsa s GLN 66 Ca 0.00 0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 54.13 1vsa s GLN 66 Cb 0.00 0.25 0.03 0.00 -0.22 0.00 0.00 33.01 33.07 1vsa s GLN 66 CO 0.00 -0.10 0.31 -1.59 -0.25 0.00 0.00 175.29 173.65 1vsa s LYS 67 N 0.67 2.95 0.16 2.91 -2.85 -1.26 -3.68 119.74 118.64 1vsa s LYS 67 Ca -0.03 -1.09 0.01 0.00 -1.00 0.00 0.00 55.97 53.86 1vsa s LYS 67 Cb -0.05 -3.98 0.03 0.00 -2.06 0.00 0.00 37.83 31.78 1vsa s LYS 67 CO -0.04 -0.80 0.22 -0.35 0.10 0.00 0.00 175.35 174.48 1vsa n PRO 68 N 5.15 0.60 -3.34 1.78 -0.04 -1.26 -5.09 135.00 132.80 1vsa n PRO 68 Ca -0.11 -0.68 -0.25 0.00 -0.04 0.00 0.00 63.50 62.41 1vsa n PRO 68 Cb 0.46 -0.12 -0.02 0.00 -0.04 0.00 0.00 33.50 33.78 1vsa n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vsa s ALA 69 N -2.63 3.67 0.43 0.55 0.00 -1.04 -4.97 121.76 117.77 1vsa s ALA 69 Ca 0.15 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1vsa s ALA 69 Cb -0.01 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1vsa s ALA 69 CO 0.10 0.04 0.53 0.14 0.00 0.00 0.00 175.76 176.58 1vsa s VAL 70 N -2.27 2.81 -0.47 0.00 -7.23 -1.26 -2.89 120.40 109.09 1vsa s VAL 70 Ca 0.41 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 1vsa s VAL 70 Cb -0.10 -2.91 0.20 0.00 0.56 0.00 0.00 36.38 34.13 1vsa s VAL 70 CO 0.35 0.00 0.85 1.07 -0.31 0.00 0.00 175.10 177.05 1vsa n THR 71 N -1.80 0.00 -4.87 5.32 5.66 -1.14 -4.93 114.28 112.52 1vsa n THR 71 Ca 0.07 -0.88 -0.26 0.00 -3.05 0.00 0.00 64.05 59.93 1vsa n THR 71 Cb 0.60 0.98 -0.16 0.00 -1.55 0.00 0.00 70.33 70.20 1vsa n THR 71 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1vsa s ARG 72 N 0.84 1.68 0.00 1.09 6.06 -1.26 -2.82 118.95 124.54 1vsa s ARG 72 Ca 0.29 -0.64 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 1vsa s ARG 72 Cb 0.06 -1.52 0.00 0.00 0.06 0.00 0.00 34.95 33.55 1vsa s ARG 72 CO -0.09 0.32 0.00 0.00 -2.50 0.00 0.00 175.30 173.03 1vsa n ALA 73 N 2.91 -0.13 0.00 6.12 0.00 -1.19 -4.73 120.51 123.48 1vsa n ALA 73 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1vsa n ALA 73 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1vsa n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vsa n LYS 74 N 0.43 0.00 0.00 0.00 5.02 0.13 -4.11 118.16 119.63 1vsa n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vsa n LYS 74 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 1vsa n LYS 74 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1vsa n LYS 75 N -1.29 0.00 -1.11 1.97 2.85 0.27 -4.99 118.16 115.85 1vsa n LYS 75 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 1vsa n LYS 75 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1vsa n LYS 75 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vsa n SER 76 N 0.00 6.93 -4.72 -5.58 2.88 -1.26 -4.31 113.62 107.56 1vsa n SER 76 Ca 0.00 -2.49 -0.23 0.00 -1.33 0.00 0.00 58.87 54.82 1vsa n SER 76 Cb 0.00 -1.38 -0.06 0.00 -0.75 0.00 0.00 64.21 62.02 1vsa n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1vsa s ILE 77 N 2.76 3.90 0.14 2.46 1.09 -1.26 -5.05 121.20 125.25 1vsa s ILE 77 Ca 0.57 -1.65 -0.26 0.00 -1.10 0.00 0.00 60.65 58.21 1vsa s ILE 77 Cb 0.15 -3.09 -0.01 0.00 -1.06 0.00 0.00 42.46 38.45 1vsa s ILE 77 CO -0.05 -0.34 1.60 -1.28 -0.10 0.00 0.00 174.94 174.77 1vsa h SER 78 N 1.78 -1.06 -4.15 3.58 0.87 -1.90 -3.37 113.55 109.31 1vsa h SER 78 Ca -0.46 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1vsa h SER 78 Cb 1.24 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1vsa h SER 78 CO 0.60 -0.36 -0.84 -3.20 -0.53 0.00 0.00 176.83 172.50 1vsa n ASN 79 N -5.41 -8.29 -0.04 6.23 2.85 -1.26 -1.18 115.26 108.16 1vsa n ASN 79 Ca -0.03 1.17 -0.14 0.00 -0.11 0.00 0.00 54.58 55.47 1vsa n ASN 79 Cb 0.33 -4.36 -0.09 0.00 1.24 0.00 0.00 39.78 36.91 1vsa n ASN 79 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1vsa h PHE 80 N 2.04 0.36 -1.87 1.20 3.04 -1.99 -3.30 116.94 116.43 1vsa h PHE 80 Ca 0.00 -0.14 -0.76 0.00 3.98 0.00 0.00 57.97 61.05 1vsa h PHE 80 Cb 0.00 -0.06 -0.23 0.00 2.56 0.00 0.00 35.95 38.21 1vsa h PHE 80 CO 0.00 0.82 1.23 1.63 -2.02 0.00 0.00 178.31 179.97 1vsa n LYS 81 N -4.53 4.33 -0.00 1.11 4.76 -1.26 -4.90 118.16 117.66 1vsa n LYS 81 Ca -0.08 -3.93 0.00 0.00 -2.87 0.00 0.00 58.31 51.43 1vsa n LYS 81 Cb 0.42 -2.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 1vsa n LYS 81 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1vsa n LEU 82 N 0.24 -0.46 0.18 -0.35 -0.00 -1.24 -4.85 117.00 110.51 1vsa n LEU 82 Ca 0.52 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.71 1vsa n LEU 82 Cb 0.28 0.23 0.81 0.00 -0.00 0.00 0.00 43.42 44.73 1vsa n LEU 82 CO 0.53 0.00 1.16 0.03 -0.00 0.00 0.00 177.39 179.11 1vsa h ARG 83 N 0.00 0.00 0.00 1.96 3.08 -1.31 -3.41 114.38 114.70 1vsa h ARG 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsa h ARG 83 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1vsa h ARG 83 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 1vsa n LYS 84 N -3.61 0.00 -0.22 0.04 4.76 -1.26 -4.10 118.16 113.77 1vsa n LYS 84 Ca 0.03 0.00 0.21 0.00 -2.87 0.00 0.00 58.31 55.69 1vsa n LYS 84 Cb 0.45 0.00 0.39 0.00 -1.84 0.00 0.00 35.03 34.03 1vsa n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vsa n GLY 85 N 0.00 -0.50 0.15 0.72 0.00 -1.26 -4.74 105.19 99.56 1vsa n GLY 85 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1vsa n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vsa n MET 86 N -4.48 0.00 0.00 1.61 2.81 -1.26 0.96 117.12 116.75 1vsa n MET 86 Ca 0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 1vsa n MET 86 Cb 0.86 -0.18 0.00 0.00 -0.71 0.00 0.00 33.22 33.19 1vsa n MET 86 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1vsa n PRO 87 N -0.15 0.00 0.00 0.03 -0.04 -1.26 -2.37 135.00 131.21 1vsa n PRO 87 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vsa n PRO 87 Cb 0.05 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1vsa n PRO 87 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1vsa n ILE 88 N -0.41 0.00 0.00 0.52 5.41 -1.13 -4.37 119.36 119.39 1vsa n ILE 88 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1vsa n ILE 88 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1vsa n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vsa n GLY 89 N 0.00 -0.46 3.82 7.39 0.00 -1.16 -3.04 105.19 111.74 1vsa n GLY 89 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 1vsa n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vsa s LEU 90 N 0.00 0.03 0.06 0.99 2.96 -1.16 -2.89 118.68 118.68 1vsa s LEU 90 Ca 0.00 -1.14 -0.28 0.00 -0.22 0.00 0.00 54.13 52.49 1vsa s LEU 90 Cb 0.00 2.76 0.09 0.00 0.50 0.00 0.00 46.19 49.54 1vsa s LEU 90 CO 0.00 -1.63 1.06 0.00 -1.32 0.00 0.00 176.35 174.46 1vsa s ARG 91 N -2.11 0.86 0.00 1.98 1.04 -1.14 -2.94 118.95 116.64 1vsa s ARG 91 Ca 0.17 -0.45 0.00 0.00 -1.04 0.00 0.00 55.73 54.41 1vsa s ARG 91 Cb -0.05 0.31 0.00 0.00 -2.04 0.00 0.00 34.95 33.17 1vsa s ARG 91 CO 0.11 -0.39 0.00 1.55 -0.04 0.00 0.00 175.30 176.53 1vsa n VAL 92 N -0.42 0.00 -4.14 4.99 3.14 -1.15 -2.50 118.33 118.24 1vsa n VAL 92 Ca -0.07 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.20 1vsa n VAL 92 Cb 0.61 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.30 1vsa n VAL 92 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1vsa s THR 93 N -2.00 0.02 0.19 1.55 2.01 -1.26 -2.97 115.64 113.17 1vsa s THR 93 Ca 0.00 -1.83 -0.16 0.00 0.31 0.00 0.00 61.69 60.01 1vsa s THR 93 Cb 0.00 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.19 1vsa s THR 93 CO 0.00 -0.08 0.47 -0.76 -0.69 0.00 0.00 174.62 173.57 1vsa s LEU 94 N -3.11 0.27 0.00 4.42 1.43 -1.17 -5.04 118.68 115.49 1vsa s LEU 94 Ca 0.33 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1vsa s LEU 94 Cb 0.05 1.94 0.00 0.00 0.03 0.00 0.00 46.19 48.21 1vsa s LEU 94 CO 0.09 -1.02 0.00 0.54 0.23 0.00 0.00 176.35 176.19 1vsa n ARG 95 N -0.31 0.00 -2.30 1.70 3.00 -1.26 -2.97 116.66 114.52 1vsa n ARG 95 Ca -0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.49 1vsa n ARG 95 Cb 0.62 -0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.20 1vsa n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1vsa s ARG 96 N 0.00 1.58 0.00 5.56 3.00 -1.26 -4.87 118.95 122.96 1vsa s ARG 96 Ca 0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 55.73 54.07 1vsa s ARG 96 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.79 1vsa s ARG 96 CO 0.00 -1.62 0.61 -0.25 0.00 0.00 0.00 175.30 174.04 1vsa n ASP 97 N -3.09 0.00 -0.27 -2.12 9.92 -1.26 0.71 116.55 120.44 1vsa n ASP 97 Ca 0.13 0.19 -0.06 0.00 -0.53 0.00 0.00 54.79 54.52 1vsa n ASP 97 Cb 0.60 -0.19 0.06 0.00 -0.64 0.00 0.00 41.12 40.95 1vsa n ASP 97 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1vsa h ARG 98 N 0.00 1.05 -0.50 -1.24 3.08 -2.00 0.16 114.38 114.93 1vsa h ARG 98 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1vsa h ARG 98 Cb 0.22 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1vsa h ARG 98 CO 0.00 0.80 0.00 0.00 -1.07 0.00 0.00 179.97 179.70 1vsa n MET 99 N -4.43 2.05 0.00 0.04 0.00 0.22 -3.17 117.12 111.83 1vsa n MET 99 Ca 0.06 -1.18 0.00 0.00 0.00 0.00 0.00 57.70 56.58 1vsa n MET 99 Cb 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.88 1vsa n MET 99 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 175.97 177.84 1vsa n TRP 100 N 0.35 0.00 -0.02 3.17 -0.00 0.55 -4.53 117.44 116.95 1vsa n TRP 100 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.59 1vsa n TRP 100 Cb 0.40 0.00 0.24 0.00 -0.00 0.00 0.00 31.31 31.96 1vsa n TRP 100 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1vsa h ILE 101 N 0.00 1.22 -0.84 5.87 2.10 -1.71 -2.98 117.51 121.17 1vsa h ILE 101 Ca 0.00 -0.95 0.08 0.00 1.08 0.00 0.00 64.86 65.07 1vsa h ILE 101 Cb 0.00 1.03 -0.10 0.00 -1.09 0.00 0.00 36.82 36.66 1vsa h ILE 101 CO 0.00 0.32 -0.50 0.33 -1.08 0.00 0.00 178.15 177.22 1vsa n PHE 102 N -4.23 -0.37 0.08 2.19 7.35 -1.19 -1.75 117.46 119.55 1vsa n PHE 102 Ca 0.01 1.05 -0.06 0.00 -0.76 0.00 0.00 57.45 57.69 1vsa n PHE 102 Cb 0.30 -0.56 0.07 0.00 0.35 0.00 0.00 39.48 39.63 1vsa n PHE 102 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1vsa h LEU 103 N 0.00 0.26 -0.88 -2.13 8.10 -1.75 -3.00 115.31 115.91 1vsa h LEU 103 Ca 0.13 -0.17 0.23 0.00 0.11 0.00 0.00 57.88 58.18 1vsa h LEU 103 Cb 0.35 -0.08 -0.15 0.00 -0.44 0.00 0.00 40.66 40.33 1vsa h LEU 103 CO -0.79 0.89 0.08 -0.33 -4.11 0.00 0.00 178.44 174.17 1vsa h GLU 104 N 0.15 0.09 0.45 0.17 5.08 -1.18 0.39 114.58 119.73 1vsa h GLU 104 Ca -0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1vsa h GLU 104 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1vsa h GLU 104 CO 0.11 0.06 -0.22 0.87 -1.00 0.00 0.00 179.01 178.83 1vsa h LYS 105 N 0.09 -0.59 -0.72 2.33 1.57 -1.51 -2.65 116.57 115.09 1vsa h LYS 105 Ca 0.53 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.56 1vsa h LYS 105 Cb 1.03 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1vsa h LYS 105 CO -0.76 -0.39 0.60 1.37 -0.57 0.00 0.00 179.45 179.69 1vsa h LEU 106 N -1.16 0.00 0.00 2.94 8.10 -1.21 -0.34 115.31 123.63 1vsa h LEU 106 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1vsa h LEU 106 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1vsa h LEU 106 CO 0.10 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.61 1vsa n LEU 107 N -4.01 1.91 0.28 0.17 4.77 0.13 -1.81 117.00 118.44 1vsa n LEU 107 Ca 0.15 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1vsa n LEU 107 Cb 0.87 -0.15 0.75 0.00 -2.33 0.00 0.00 43.42 42.56 1vsa n LEU 107 CO 0.34 -0.15 1.03 0.78 -1.33 0.00 0.00 177.39 178.06 1vsa h ASN 108 N 0.00 0.00 0.00 -1.43 4.21 -1.49 -2.98 115.58 113.89 1vsa h ASN 108 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1vsa h ASN 108 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1vsa h ASN 108 CO 0.00 0.00 0.00 0.52 -1.29 0.00 0.00 177.43 176.66 1vsa n VAL 109 N -2.66 0.00 -0.27 2.81 0.31 -0.15 -4.74 118.33 113.63 1vsa n VAL 109 Ca -0.02 0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.52 1vsa n VAL 109 Cb 0.28 -1.00 0.23 0.00 -0.91 0.00 0.00 33.84 32.44 1vsa n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vsa h ALA 110 N -1.03 1.15 -2.01 3.52 0.00 -1.33 -3.29 119.26 116.28 1vsa h ALA 110 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vsa h ALA 110 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vsa h ALA 110 CO 0.00 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1vsa n LEU 111 N -5.07 0.00 -0.24 0.00 4.32 -0.75 -2.96 117.00 112.30 1vsa n LEU 111 Ca 0.17 0.67 0.31 0.00 -0.02 0.00 0.00 56.01 57.13 1vsa n LEU 111 Cb 0.51 -0.17 0.72 0.00 -1.62 0.00 0.00 43.42 42.87 1vsa n LEU 111 CO 0.14 -0.17 1.28 -0.65 -1.22 0.00 0.00 177.39 176.78 1vsa h PRO 112 N 0.00 0.02 -1.04 3.23 0.11 -1.75 0.29 132.00 132.86 1vsa h PRO 112 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vsa h PRO 112 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vsa h PRO 112 CO 0.00 0.01 0.00 2.89 -0.21 0.00 0.00 178.00 180.69 1vsa n ARG 113 N -4.25 0.70 -0.66 1.05 1.85 -1.16 -4.57 116.66 109.62 1vsa n ARG 113 Ca 0.21 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.77 1vsa n ARG 113 Cb 1.06 -1.24 0.22 0.00 -1.05 0.00 0.00 32.46 31.45 1vsa n ARG 113 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1vsa s ILE 114 N -0.26 2.09 -1.36 8.89 2.07 0.10 -4.89 121.20 127.85 1vsa s ILE 114 Ca 0.00 0.03 -0.15 0.00 -1.41 0.00 0.00 60.65 59.12 1vsa s ILE 114 Cb 0.00 -2.14 0.08 0.00 0.13 0.00 0.00 42.46 40.53 1vsa s ILE 114 CO 0.00 -0.04 1.93 -1.14 -1.91 0.00 0.00 174.94 173.78 1vsa n ARG 115 N -4.67 3.12 0.00 3.50 3.00 -1.26 -4.34 116.66 116.01 1vsa n ARG 115 Ca 0.05 -3.08 0.00 0.00 -0.00 0.00 0.00 57.85 54.82 1vsa n ARG 115 Cb 0.54 -3.30 0.00 0.00 0.00 0.00 0.00 32.46 29.70 1vsa n ARG 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1vsa n ASP 116 N 6.67 0.00 -3.97 6.15 8.00 -1.26 -5.14 116.55 127.00 1vsa n ASP 116 Ca 0.48 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.68 1vsa n ASP 116 Cb 0.42 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.72 1vsa n ASP 116 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1vsa s PHE 117 N 0.00 1.28 0.00 1.24 5.36 -1.26 -4.57 117.98 120.03 1vsa s PHE 117 Ca 0.00 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1vsa s PHE 117 Cb 0.00 -4.24 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1vsa s PHE 117 CO 0.00 -2.83 0.00 -2.13 -1.46 0.00 0.00 175.22 168.80 1vsa n ARG 118 N -3.85 0.00 -3.64 10.12 3.00 -1.26 -5.04 116.66 115.99 1vsa n ARG 118 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.99 1vsa n ARG 118 Cb 0.59 -2.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.30 1vsa n ARG 118 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vsa s GLY 119 N -2.84 0.08 -0.03 5.14 0.00 -1.26 -4.73 107.32 103.67 1vsa s GLY 119 Ca 0.00 2.81 -0.04 0.00 0.00 0.00 0.00 44.72 47.49 1vsa s GLY 119 CO 0.00 1.15 0.11 -2.27 0.00 0.00 0.00 173.10 172.09 1vsa s LEU 120 N -0.96 1.60 -0.89 0.66 1.98 -1.26 -4.93 118.68 114.88 1vsa s LEU 120 Ca 0.08 0.10 -0.17 0.00 -2.89 0.00 0.00 54.13 51.25 1vsa s LEU 120 Cb -0.01 0.44 0.16 0.00 0.66 0.00 0.00 46.19 47.44 1vsa s LEU 120 CO -0.08 -0.12 0.99 0.21 -1.89 0.00 0.00 176.35 175.46 1vsa s ASN 121 N -0.32 6.68 -0.14 3.68 3.04 -1.26 0.42 114.94 127.04 1vsa s ASN 121 Ca -0.04 -2.29 0.17 0.00 0.04 0.00 0.00 52.86 50.74 1vsa s ASN 121 Cb -0.03 -2.33 0.69 0.00 -1.54 0.00 0.00 41.25 38.05 1vsa s ASN 121 CO 0.00 -0.88 1.61 -0.81 -3.04 0.00 0.00 177.10 173.99 1vsa n PRO 122 N 5.56 3.82 -0.00 0.43 -0.04 -1.25 -4.43 135.00 139.08 1vsa n PRO 122 Ca 0.20 -2.89 0.05 0.00 -0.04 0.00 0.00 63.50 60.82 1vsa n PRO 122 Cb 0.48 -1.92 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 1vsa n PRO 122 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vsa n ASN 123 N 0.80 2.32 -1.50 3.54 5.03 -1.26 -4.56 115.26 119.63 1vsa n ASN 123 Ca 0.25 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1vsa n ASN 123 Cb 0.92 1.34 0.00 0.00 -1.02 0.00 0.00 39.78 41.02 1vsa n ASN 123 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1vsa n SER 124 N -1.70 1.97 -4.89 6.41 2.88 -1.26 -4.79 113.62 112.24 1vsa n SER 124 Ca -0.01 -1.35 -0.29 0.00 -1.33 0.00 0.00 58.87 55.89 1vsa n SER 124 Cb 0.23 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 1vsa n SER 124 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1vsa s PHE 125 N 0.92 3.53 0.00 0.66 -0.12 -1.26 -3.01 117.98 118.70 1vsa s PHE 125 Ca 0.00 0.96 0.00 0.00 -0.05 0.00 0.00 56.93 57.84 1vsa s PHE 125 Cb 0.00 -2.41 0.00 0.00 -0.63 0.00 0.00 43.02 39.98 1vsa s PHE 125 CO 0.00 -0.26 0.00 -3.47 -0.05 0.00 0.00 175.22 171.44 1vsa n ASP 126 N -1.93 0.00 0.00 1.98 2.03 -1.07 -4.97 116.55 112.59 1vsa n ASP 126 Ca 0.02 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1vsa n ASP 126 Cb 0.55 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1vsa n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vsa n GLY 127 N 2.43 0.00 0.00 0.27 0.00 -1.26 -4.93 105.19 101.70 1vsa n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsa n GLY 127 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vsa n ARG 128 N 0.00 0.00 -0.23 1.61 0.63 -1.26 -3.59 116.66 113.82 1vsa n ARG 128 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1vsa n ARG 128 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1vsa n ARG 128 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vsa n GLY 129 N 0.00 1.38 2.81 5.14 0.00 0.24 -3.97 105.19 110.79 1vsa n GLY 129 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1vsa n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vsa s ASN 130 N 2.48 1.09 0.08 1.61 0.01 -1.26 -2.35 114.94 116.60 1vsa s ASN 130 Ca 0.12 -0.07 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1vsa s ASN 130 Cb 0.06 -0.36 -0.01 0.00 0.41 0.00 0.00 41.25 41.34 1vsa s ASN 130 CO 0.00 -0.14 0.14 -0.47 -1.51 0.00 0.00 177.10 175.12 1vsa s TYR 131 N 1.48 0.26 -0.22 2.20 6.04 -1.16 -2.60 117.35 123.35 1vsa s TYR 131 Ca -0.03 -0.72 -0.16 0.00 0.04 0.00 0.00 57.07 56.20 1vsa s TYR 131 Cb -0.13 -0.15 0.06 0.00 -1.04 0.00 0.00 41.96 40.71 1vsa s TYR 131 CO -0.03 -0.51 0.56 1.21 -1.54 0.00 0.00 175.55 175.25 1vsa s ASN 132 N -2.88 -0.67 -0.21 4.32 3.84 -1.16 -3.13 114.94 115.04 1vsa s ASN 132 Ca 0.06 1.19 -0.04 0.00 0.21 0.00 0.00 52.86 54.28 1vsa s ASN 132 Cb 0.06 1.13 0.09 0.00 -0.55 0.00 0.00 41.25 41.98 1vsa s ASN 132 CO -0.10 -0.21 0.20 -0.76 -2.79 0.00 0.00 177.10 173.43 1vsa s LEU 133 N 0.92 0.03 0.00 3.21 2.01 -1.13 -4.78 118.68 118.94 1vsa s LEU 133 Ca -0.05 -0.45 0.00 0.00 0.01 0.00 0.00 54.13 53.64 1vsa s LEU 133 Cb -0.05 0.21 0.00 0.00 0.01 0.00 0.00 46.19 46.35 1vsa s LEU 133 CO -0.08 -0.35 0.00 0.61 1.01 0.00 0.00 176.35 177.54 1vsa n GLY 134 N 5.30 -3.07 0.00 -3.19 0.00 -1.26 -2.97 105.19 100.00 1vsa n GLY 134 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1vsa n GLY 134 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vsa n LEU 135 N 0.00 0.00 -2.52 0.99 -0.00 -1.03 -4.72 117.00 109.73 1vsa n LEU 135 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1vsa n LEU 135 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1vsa n LEU 135 CO 0.00 0.00 0.55 -2.11 -0.00 0.00 0.00 177.39 175.83 1vsa n ARG 136 N -0.17 0.57 -0.06 1.47 1.85 -1.26 -3.47 116.66 115.59 1vsa n ARG 136 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 57.85 55.88 1vsa n ARG 136 Cb 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 1vsa n ARG 136 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1vsa n GLU 137 N -0.59 3.85 0.00 2.89 -0.58 -1.26 -4.86 120.64 120.09 1vsa n GLU 137 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1vsa n GLU 137 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.58 1vsa n GLU 137 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1vsa n GLN 138 N -0.00 0.00 0.32 3.49 6.02 -1.26 -4.81 117.38 121.14 1vsa n GLN 138 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1vsa n GLN 138 Cb 0.00 0.00 1.08 0.00 1.02 0.00 0.00 30.24 32.34 1vsa n GLN 138 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 177.06 177.42 1vsa h LEU 139 N 0.00 0.00 -0.95 1.08 -0.00 -1.65 -3.02 115.31 110.77 1vsa h LEU 139 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1vsa h LEU 139 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1vsa h LEU 139 CO 0.00 0.01 0.37 0.40 -0.00 0.00 0.00 178.44 179.22 1vsa h ILE 140 N 0.00 0.00 -3.96 0.15 1.08 -1.86 -3.06 117.51 109.87 1vsa h ILE 140 Ca -0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 64.86 63.95 1vsa h ILE 140 Cb 0.07 0.32 0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1vsa h ILE 140 CO 0.00 0.00 0.59 0.12 -0.69 0.00 0.00 178.15 178.17 1vsa s PHE 141 N -3.44 2.82 0.06 1.37 5.36 -1.14 -4.16 117.98 118.85 1vsa s PHE 141 Ca -0.02 1.44 -0.24 0.00 -0.96 0.00 0.00 56.93 57.15 1vsa s PHE 141 Cb 0.04 -3.62 -0.11 0.00 -0.34 0.00 0.00 43.02 38.99 1vsa s PHE 141 CO 0.13 -2.00 1.38 -1.00 -1.46 0.00 0.00 175.22 172.27 1vsa h PRO 142 N 2.55 -0.60 0.00 10.12 0.13 -1.87 -2.55 132.00 139.78 1vsa h PRO 142 Ca -0.50 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vsa h PRO 142 Cb 1.25 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1vsa h PRO 142 CO 0.62 -0.40 0.00 1.49 -0.23 0.00 0.00 178.00 179.48 1vsa h GLU 143 N -0.63 0.00 -2.36 0.86 4.81 -1.93 -3.31 114.58 112.03 1vsa h GLU 143 Ca -0.03 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.57 1vsa h GLU 143 Cb 0.57 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.55 1vsa h GLU 143 CO -0.10 0.00 -0.40 -0.89 -0.73 0.00 0.00 179.01 176.89 1vsa n ILE 144 N -2.73 2.73 -2.96 2.32 2.08 -1.07 -5.05 119.36 114.68 1vsa n ILE 144 Ca 0.02 -5.30 -0.39 0.00 0.56 0.00 0.00 62.75 57.64 1vsa n ILE 144 Cb 0.33 -2.11 -0.06 0.00 -0.75 0.00 0.00 39.64 37.05 1vsa n ILE 144 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1vsa s THR 145 N -2.45 4.34 0.00 1.39 2.01 -0.99 -3.10 115.64 116.84 1vsa s THR 145 Ca 0.38 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.12 1vsa s THR 145 Cb 0.12 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1vsa s THR 145 CO -0.01 0.52 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 1vsa n TYR 146 N 1.59 0.00 -1.50 4.92 9.36 -1.23 -4.92 117.16 125.37 1vsa n TYR 146 Ca -0.05 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.16 1vsa n TYR 146 Cb 0.48 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.19 1vsa n TYR 146 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1vsa n ASP 147 N 5.85 -3.03 -2.29 2.98 8.00 -1.26 -3.20 116.55 123.60 1vsa n ASP 147 Ca 0.00 0.42 -0.05 0.00 0.71 0.00 0.00 54.79 55.88 1vsa n ASP 147 Cb 0.00 -2.07 0.02 0.00 -0.02 0.00 0.00 41.12 39.05 1vsa n ASP 147 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1vsa n MET 148 N 0.45 -0.90 -0.11 -1.24 2.81 -1.26 -4.76 117.12 112.11 1vsa n MET 148 Ca -0.04 0.61 -0.06 0.00 -1.81 0.00 0.00 57.70 56.39 1vsa n MET 148 Cb 0.06 -3.53 0.02 0.00 -0.71 0.00 0.00 33.22 29.06 1vsa n MET 148 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1vsa h VAL 149 N -0.25 0.90 -0.19 2.03 -1.51 -2.02 0.38 116.25 115.59 1vsa h VAL 149 Ca -0.19 -0.10 0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1vsa h VAL 149 Cb 1.09 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1vsa h VAL 149 CO 0.18 0.05 0.33 -0.78 -1.23 0.00 0.00 177.57 176.12 1vsa h ASP 150 N 0.29 0.00 0.00 4.19 -0.00 -2.04 -3.35 116.42 115.51 1vsa h ASP 150 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1vsa h ASP 150 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1vsa h ASP 150 CO -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.08 1vsa n ALA 151 N -2.16 0.00 -0.13 -0.78 0.00 0.13 -5.11 120.51 112.47 1vsa n ALA 151 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vsa n ALA 151 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1vsa n ALA 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vsa n LEU 152 N 0.00 -0.82 0.00 0.00 7.94 -1.19 -5.14 117.00 117.79 1vsa n LEU 152 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1vsa n LEU 152 Cb 0.00 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1vsa n LEU 152 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.14 1vsa n ARG 153 N 1.69 -0.39 -3.35 1.96 3.00 -1.26 -5.11 116.66 113.21 1vsa n ARG 153 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 1vsa n ARG 153 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1vsa n ARG 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vsa s GLY 154 N 0.00 1.82 0.35 5.14 0.00 -1.26 -4.48 107.32 108.89 1vsa s GLY 154 Ca 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 42.93 1vsa s GLY 154 CO 0.00 -1.48 0.83 -3.16 0.00 0.00 0.00 173.10 169.28 1vsa s MET 155 N -4.21 2.07 0.10 2.90 0.23 -1.23 -4.72 119.30 114.45 1vsa s MET 155 Ca 0.49 -1.32 -0.25 0.00 -1.03 0.00 0.00 55.69 53.57 1vsa s MET 155 Cb -0.08 0.58 0.08 0.00 -1.53 0.00 0.00 34.83 33.88 1vsa s MET 155 CO 0.31 -0.97 0.66 0.16 -2.03 0.00 0.00 175.02 173.15 1vsa s ASP 156 N -3.11 -0.55 0.10 -1.18 1.47 -1.15 -2.45 116.67 109.80 1vsa s ASP 156 Ca 0.16 0.10 0.04 0.00 1.18 0.00 0.00 52.55 54.04 1vsa s ASP 156 Cb -0.05 0.56 -0.04 0.00 -0.34 0.00 0.00 42.92 43.05 1vsa s ASP 156 CO 0.10 -0.86 -0.11 -0.51 0.68 0.00 0.00 175.17 174.47 1vsa s ILE 157 N -3.27 1.06 0.06 2.11 1.10 -1.16 -2.98 121.20 118.14 1vsa s ILE 157 Ca -0.00 -1.63 0.02 0.00 -0.51 0.00 0.00 60.65 58.52 1vsa s ILE 157 Cb -0.01 -1.38 -0.03 0.00 0.15 0.00 0.00 42.46 41.19 1vsa s ILE 157 CO -0.09 -0.49 -0.07 0.00 -2.11 0.00 0.00 174.94 172.18 1vsa s ALA 158 N -2.25 0.71 0.02 1.50 0.00 -1.15 -2.82 121.76 117.76 1vsa s ALA 158 Ca 0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1vsa s ALA 158 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1vsa s ALA 158 CO 0.01 -0.13 -0.04 0.14 0.00 0.00 0.00 175.76 175.74 1vsa s VAL 159 N -2.42 0.20 -0.02 0.00 -7.23 -1.18 -2.81 120.40 106.94 1vsa s VAL 159 Ca -0.01 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1vsa s VAL 159 Cb -0.03 -0.31 0.03 0.00 0.56 0.00 0.00 36.38 36.62 1vsa s VAL 159 CO -0.02 -0.41 0.02 -0.69 -0.31 0.00 0.00 175.10 173.69 1vsa s VAL 160 N -1.27 -0.04 0.20 1.32 1.01 -1.17 -3.01 120.40 117.44 1vsa s VAL 160 Ca -0.13 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1vsa s VAL 160 Cb -0.09 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1vsa s VAL 160 CO -0.01 0.08 0.48 0.28 0.00 0.00 0.00 175.10 175.94 1vsa s THR 161 N 0.92 0.03 0.19 3.92 -1.32 -0.99 -1.70 115.64 116.69 1vsa s THR 161 Ca -0.08 -0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 59.27 1vsa s THR 161 Cb -0.11 -1.74 0.15 0.00 -1.51 0.00 0.00 72.50 69.29 1vsa s THR 161 CO -0.03 -0.13 1.67 0.71 -2.21 0.00 0.00 174.62 174.63 1vsa h THR 162 N 2.26 0.54 -1.73 5.08 1.35 -1.87 -3.13 112.91 115.41 1vsa h THR 162 Ca -0.28 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1vsa h THR 162 Cb 1.25 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1vsa h THR 162 CO 0.38 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 1vsa n ALA 163 N -2.77 -0.64 -0.26 6.62 0.00 -1.26 -3.57 120.51 118.63 1vsa n ALA 163 Ca 0.06 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.72 1vsa n ALA 163 Cb 0.29 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.11 1vsa n ALA 163 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vsa n GLU 164 N -0.07 -0.02 -1.89 0.00 4.71 -1.26 0.83 120.64 122.93 1vsa n GLU 164 Ca 0.00 0.67 -0.03 0.00 -0.01 0.00 0.00 57.16 57.79 1vsa n GLU 164 Cb 0.00 -1.33 0.01 0.00 -1.01 0.00 0.00 31.44 29.11 1vsa n GLU 164 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1vsa n THR 165 N -3.70 0.00 0.11 2.62 -2.24 -1.24 -4.23 114.28 105.61 1vsa n THR 165 Ca 0.22 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1vsa n THR 165 Cb 0.86 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1vsa n THR 165 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vsa n ASP 166 N -1.12 0.00 -0.08 3.42 8.00 -1.25 -1.56 116.55 123.94 1vsa n ASP 166 Ca -0.03 -0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 1vsa n ASP 166 Cb 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1vsa n ASP 166 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1vsa h GLU 167 N 0.00 0.73 0.00 -1.24 5.08 -1.91 0.41 114.58 117.66 1vsa h GLU 167 Ca 0.00 -0.43 -0.23 0.00 -1.00 0.00 0.00 59.36 57.70 1vsa h GLU 167 Cb 0.00 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1vsa h GLU 167 CO 0.00 1.05 -1.28 0.93 -1.00 0.00 0.00 179.01 178.72 1vsa h GLU 168 N 0.47 0.00 0.00 2.33 3.07 -1.58 -3.15 114.58 115.72 1vsa h GLU 168 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1vsa h GLU 168 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1vsa h GLU 168 CO 0.09 0.71 0.00 0.00 -1.40 0.00 0.00 179.01 178.41 1vsa n ALA 169 N -2.43 -0.18 0.20 3.43 0.00 -1.12 -2.80 120.51 117.61 1vsa n ALA 169 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1vsa n ALA 169 Cb 0.96 0.03 0.62 0.00 0.00 0.00 0.00 19.45 21.06 1vsa n ALA 169 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1vsa h ARG 170 N 0.00 0.00 -0.74 0.00 0.11 -0.36 0.12 114.38 113.51 1vsa h ARG 170 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vsa h ARG 170 Cb 0.00 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.04 1vsa h ARG 170 CO 0.00 0.00 0.47 0.00 0.10 0.00 0.00 179.97 180.54 1vsa h ALA 171 N 1.06 0.94 0.00 0.08 0.00 -1.47 0.19 119.26 120.06 1vsa h ALA 171 Ca 0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1vsa h ALA 171 Cb 1.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1vsa h ALA 171 CO -0.00 0.39 -0.40 1.37 0.00 0.00 0.00 179.25 180.61 1vsa h LEU 172 N 1.01 0.00 0.00 0.00 8.10 -0.66 -3.01 115.31 120.75 1vsa h LEU 172 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.26 1vsa h LEU 172 Cb -0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1vsa h LEU 172 CO -0.05 0.40 0.00 -0.11 -4.11 0.00 0.00 178.44 174.56 1vsa n LEU 173 N -3.72 0.00 0.28 0.17 7.94 0.66 -1.75 117.00 120.58 1vsa n LEU 173 Ca -0.01 0.44 0.16 0.00 -1.11 0.00 0.00 56.01 55.50 1vsa n LEU 173 Cb 0.48 0.00 0.81 0.00 0.53 0.00 0.00 43.42 45.24 1vsa n LEU 173 CO 0.38 0.00 1.02 -0.33 -1.11 0.00 0.00 177.39 177.34 1vsa h GLU 174 N 0.00 0.00 -0.94 1.96 5.08 -1.45 -2.95 114.58 116.28 1vsa h GLU 174 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1vsa h GLU 174 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1vsa h GLU 174 CO 0.00 0.06 -0.50 1.28 -1.00 0.00 0.00 179.01 178.85 1vsa n LEU 175 N -3.31 -0.88 -2.85 1.33 4.77 -0.72 -3.15 117.00 112.20 1vsa n LEU 175 Ca -0.01 1.66 -0.12 0.00 -0.03 0.00 0.00 56.01 57.51 1vsa n LEU 175 Cb 0.23 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1vsa n LEU 175 CO 0.27 -1.39 -0.11 0.00 -1.33 0.00 0.00 177.39 174.82 1vsa n LEU 176 N -5.24 0.94 0.00 2.23 -0.00 -1.17 -5.09 117.00 108.67 1vsa n LEU 176 Ca 0.04 -4.15 0.00 0.00 -0.00 0.00 0.00 56.01 51.90 1vsa n LEU 176 Cb 0.28 0.53 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 1vsa n LEU 176 CO -0.14 1.85 0.00 0.61 -0.00 0.00 0.00 177.39 179.71 1vsa n GLY 177 N 0.05 0.49 4.07 1.47 0.00 -1.13 -5.02 105.19 105.11 1vsa n GLY 177 Ca 0.14 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 1vsa n GLY 177 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vsa n PHE 178 N 0.00 -1.28 -0.25 1.61 3.01 -1.14 -2.95 117.46 116.46 1vsa n PHE 178 Ca 0.00 0.05 -0.24 0.00 1.01 0.00 0.00 57.45 58.27 1vsa n PHE 178 Cb 0.00 -2.57 0.24 0.00 -0.01 0.00 0.00 39.48 37.14 1vsa n PHE 178 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1vsa n PRO 179 N -4.80 -3.86 -4.08 -1.08 -0.04 -1.26 -4.07 135.00 115.81 1vsa n PRO 179 Ca -0.11 -1.16 -0.34 0.00 -0.04 0.00 0.00 63.50 61.85 1vsa n PRO 179 Cb 0.53 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1vsa n PRO 179 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1vsa s PHE 180 N -1.97 3.19 -0.20 0.54 5.36 -1.26 -3.93 117.98 119.71 1vsa s PHE 180 Ca 0.53 -0.05 -0.29 0.00 -0.96 0.00 0.00 56.93 56.17 1vsa s PHE 180 Cb -0.09 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 1vsa s PHE 180 CO 0.45 0.08 1.89 0.50 -1.46 0.00 0.00 175.22 176.67 1vsa s ARG 181 N 0.46 3.56 0.00 10.12 6.06 1.41 -4.15 118.95 136.41 1vsa s ARG 181 Ca 0.02 1.88 0.00 0.00 -2.50 0.00 0.00 55.73 55.13 1vsa s ARG 181 Cb -0.13 -4.19 0.00 0.00 0.06 0.00 0.00 34.95 30.69 1vsa s ARG 181 CO 0.01 -1.59 0.00 0.36 -2.50 0.00 0.00 175.30 171.58