#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n ARG 2 N 0.00 0.00 -3.78 3.17 1.85 -1.26 -3.50 116.66 113.15 1vsa n ARG 2 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1vsa n ARG 2 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 1vsa n ARG 2 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1vsa s HIS 3 N 0.00 3.61 0.00 2.89 5.04 -1.26 -4.85 115.29 120.72 1vsa s HIS 3 Ca 0.00 0.62 0.00 0.00 -1.54 0.00 0.00 55.06 54.14 1vsa s HIS 3 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 32.58 30.57 1vsa s HIS 3 CO 0.00 0.67 0.00 1.28 -2.34 0.00 0.00 174.74 174.35 1vsa n LEU 4 N 2.13 -1.59 0.00 8.88 4.77 -1.23 -4.95 117.00 125.01 1vsa n LEU 4 Ca -0.18 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1vsa n LEU 4 Cb 0.54 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1vsa n LEU 4 CO 0.33 -1.35 0.00 1.17 -1.33 0.00 0.00 177.39 176.21 1vsa n LYS 5 N 1.87 0.78 -1.37 3.23 4.81 -1.26 -4.56 118.16 121.67 1vsa n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vsa n LYS 5 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vsa n LYS 5 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1vsa n SER 6 N 0.00 -7.49 0.00 3.14 3.41 -1.26 -4.59 113.62 106.83 1vsa n SER 6 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1vsa n SER 6 Cb 0.00 -3.67 0.00 0.00 -0.26 0.00 0.00 64.21 60.28 1vsa n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vsa n GLY 7 N -0.24 0.27 0.00 5.00 0.00 -1.26 -4.84 105.19 104.12 1vsa n GLY 7 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1vsa n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 8 N 0.00 0.00 0.00 1.61 5.12 -1.26 -5.17 116.66 116.96 1vsa n ARG 8 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vsa n ARG 8 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1vsa n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1vsa n LYS 9 N 0.00 0.24 0.00 5.56 -0.00 -1.26 -5.13 118.16 117.57 1vsa n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1vsa n LEU 10 N 0.00 0.00 -4.57 -5.58 0.00 -1.26 -5.11 117.00 100.48 1vsa n LEU 10 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 56.01 55.52 1vsa n LEU 10 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1vsa n LEU 10 CO 0.00 0.00 0.68 -3.20 0.00 0.00 0.00 177.39 174.87 1vsa n ASN 11 N 0.00 1.20 0.00 1.96 5.15 -1.26 -4.83 115.26 117.48 1vsa n ASN 11 Ca 0.00 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1vsa n ASN 11 Cb 0.00 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.05 1vsa n ASN 11 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1vsa n ARG 12 N 1.67 0.00 -3.63 1.20 0.63 -1.26 -5.05 116.66 110.21 1vsa n ARG 12 Ca 0.15 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.71 1vsa n ARG 12 Cb 0.24 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.09 1vsa n ARG 12 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1vsa s HIS 13 N -0.66 3.52 0.00 -0.14 5.65 -1.26 -5.03 115.29 117.37 1vsa s HIS 13 Ca 0.00 0.60 0.00 0.00 0.25 0.00 0.00 55.06 55.91 1vsa s HIS 13 Cb 0.00 -2.22 0.00 0.00 -1.18 0.00 0.00 32.58 29.18 1vsa s HIS 13 CO 0.00 0.41 0.69 0.43 -0.65 0.00 0.00 174.74 175.62 1vsa n SER 14 N 2.96 0.00 0.22 9.88 7.64 -1.26 -1.10 113.62 131.96 1vsa n SER 14 Ca -0.15 0.69 -0.13 0.00 1.01 0.00 0.00 58.87 60.29 1vsa n SER 14 Cb 0.53 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 1vsa n SER 14 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1vsa h SER 15 N 0.00 -1.02 -1.07 6.43 0.02 -2.01 -2.56 113.55 113.34 1vsa h SER 15 Ca 0.00 0.08 0.38 0.00 -0.84 0.00 0.00 61.79 61.41 1vsa h SER 15 Cb 0.00 0.34 -0.15 0.00 0.14 0.00 0.00 62.40 62.72 1vsa h SER 15 CO 0.00 -0.49 0.62 0.45 -1.14 0.00 0.00 176.83 176.27 1vsa h HIS 16 N -0.74 0.80 -0.20 3.45 -0.00 -1.98 2.68 115.15 119.15 1vsa h HIS 16 Ca -0.05 0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1vsa h HIS 16 Cb 0.64 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.79 1vsa h HIS 16 CO -0.20 -0.29 -0.54 0.00 -0.00 0.00 0.00 177.93 176.90 1vsa h ARG 17 N 0.16 -0.51 -0.67 2.45 3.08 -0.69 -1.03 114.38 117.18 1vsa h ARG 17 Ca 0.79 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.98 1vsa h ARG 17 Cb 2.07 0.12 -0.11 0.00 0.08 0.00 0.00 29.97 32.13 1vsa h ARG 17 CO -0.62 -0.34 -0.26 -0.11 -1.07 0.00 0.00 179.97 177.57 1vsa n LEU 18 N -5.36 -0.43 -0.01 3.04 0.00 0.90 0.40 117.00 115.53 1vsa n LEU 18 Ca -0.05 1.17 0.24 0.00 0.00 0.00 0.00 56.01 57.36 1vsa n LEU 18 Cb 0.36 -0.27 0.70 0.00 0.00 0.00 0.00 43.42 44.21 1vsa n LEU 18 CO 0.06 -1.05 1.21 0.00 0.00 0.00 0.00 177.39 177.62 1vsa h ALA 19 N 0.92 2.40 -0.21 1.96 0.00 -1.05 0.57 119.26 123.84 1vsa h ALA 19 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1vsa h ALA 19 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vsa h ALA 19 CO -0.66 -0.93 -0.02 1.25 0.00 0.00 0.00 179.25 178.88 1vsa h LEU 20 N 0.00 0.38 -0.69 0.00 6.46 0.77 -3.02 115.31 119.21 1vsa h LEU 20 Ca 0.29 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.59 1vsa h LEU 20 Cb 1.52 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 1vsa h LEU 20 CO -0.00 0.63 -0.58 1.88 -0.62 0.00 0.00 178.44 179.75 1vsa h TYR 21 N 0.13 0.00 -0.00 1.25 -1.99 0.16 1.16 116.97 117.68 1vsa h TYR 21 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1vsa h TYR 21 Cb 0.45 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.18 1vsa h TYR 21 CO 0.04 0.58 0.00 -0.09 -0.00 0.00 0.00 178.16 178.69 1vsa h ARG 22 N 0.00 0.00 0.02 4.88 2.43 -1.29 -1.96 114.38 118.46 1vsa h ARG 22 Ca -0.01 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1vsa h ARG 22 Cb 1.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 1vsa h ARG 22 CO 0.08 0.00 -1.78 -1.71 -1.51 0.00 0.00 179.97 175.04 1vsa n ASN 23 N -4.33 1.00 0.15 -3.80 5.15 -0.24 -2.66 115.26 110.53 1vsa n ASN 23 Ca -0.03 0.37 -0.06 0.00 -0.60 0.00 0.00 54.58 54.26 1vsa n ASN 23 Cb 0.09 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 1vsa n ASN 23 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1vsa h GLN 24 N 0.01 -0.37 0.00 1.20 1.08 0.20 0.75 115.11 117.98 1vsa h GLN 24 Ca -0.32 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1vsa h GLN 24 Cb 2.03 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 29.54 1vsa h GLN 24 CO 0.08 -0.25 -0.04 0.00 -0.95 0.00 0.00 178.83 177.68 1vsa h ALA 25 N -1.77 1.41 -1.17 3.87 0.00 -1.64 -1.40 119.26 118.55 1vsa h ALA 25 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vsa h ALA 25 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vsa h ALA 25 CO 0.05 0.04 0.00 1.17 0.00 0.00 0.00 179.25 180.52 1vsa n LYS 26 N -3.72 0.00 -0.13 0.00 4.81 -0.65 0.75 118.16 119.22 1vsa n LYS 26 Ca -0.03 0.40 -0.08 0.00 -0.87 0.00 0.00 58.31 57.73 1vsa n LYS 26 Cb 0.13 -1.30 -0.00 0.00 0.02 0.00 0.00 35.03 33.87 1vsa n LYS 26 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1vsa h SER 27 N 0.00 0.48 0.00 3.14 0.02 -0.97 0.82 113.55 117.05 1vsa h SER 27 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1vsa h SER 27 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1vsa h SER 27 CO 0.00 0.40 0.00 -0.11 -1.14 0.00 0.00 176.83 175.98 1vsa n LEU 28 N -4.77 0.10 0.00 5.07 0.00 -0.53 -2.14 117.00 114.73 1vsa n LEU 28 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 56.01 55.96 1vsa n LEU 28 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.43 1vsa n LEU 28 CO 0.35 0.02 0.00 -0.11 0.00 0.00 0.00 177.39 177.66 1vsa n LEU 29 N 0.13 0.00 -0.31 -1.96 0.00 0.23 -2.74 117.00 112.35 1vsa n LEU 29 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.18 1vsa n LEU 29 Cb 0.02 -0.02 0.35 0.00 0.00 0.00 0.00 43.42 43.77 1vsa n LEU 29 CO 0.00 -0.04 0.98 0.71 0.00 0.00 0.00 177.39 179.04 1vsa h THR 30 N 0.00 0.28 0.00 1.96 1.35 -1.43 0.79 112.91 115.85 1vsa h THR 30 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1vsa h THR 30 Cb 0.00 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.46 1vsa h THR 30 CO 0.00 0.04 -1.67 1.41 -0.25 0.00 0.00 175.52 175.05 1vsa n HIS 31 N -5.20 0.17 0.00 4.73 8.25 -0.91 -4.92 115.22 117.34 1vsa n HIS 31 Ca 0.25 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1vsa n HIS 31 Cb 0.79 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1vsa n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vsa n GLY 32 N 1.28 0.00 3.12 -1.41 0.00 0.27 -4.48 105.19 103.98 1vsa n GLY 32 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1vsa n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 33 N 0.00 3.16 0.00 1.61 1.74 -1.26 -3.18 116.66 118.73 1vsa n ARG 33 Ca 0.00 -4.50 0.00 0.00 -0.77 0.00 0.00 57.85 52.58 1vsa n ARG 33 Cb 0.00 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1vsa n ARG 33 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1vsa n ILE 34 N 2.19 0.00 -3.83 0.55 2.08 0.44 -4.92 119.36 115.87 1vsa n ILE 34 Ca 0.24 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.48 1vsa n ILE 34 Cb 0.37 -0.03 -0.01 0.00 -0.75 0.00 0.00 39.64 39.21 1vsa n ILE 34 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1vsa s THR 35 N 2.47 0.00 0.00 1.39 -1.32 -1.26 -1.92 115.64 115.00 1vsa s THR 35 Ca 0.00 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1vsa s THR 35 Cb 0.00 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1vsa s THR 35 CO 0.00 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.76 1vsa n THR 36 N -0.47 0.00 -3.07 5.08 -2.24 -1.12 -4.91 114.28 107.55 1vsa n THR 36 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1vsa n THR 36 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1vsa n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vsa n THR 37 N 0.00 0.00 -0.05 4.28 -2.24 -1.26 0.67 114.28 115.68 1vsa n THR 37 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1vsa n THR 37 Cb 0.00 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 1vsa n THR 37 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1vsa h VAL 38 N 0.28 0.29 0.00 2.28 3.04 -1.00 -3.04 116.25 118.11 1vsa h VAL 38 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1vsa h VAL 38 Cb 0.00 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 1vsa h VAL 38 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.57 173.91 1vsa n PRO 39 N -5.40 0.00 -0.30 4.17 -0.02 -1.26 -2.68 135.00 129.50 1vsa n PRO 39 Ca -0.01 0.00 0.27 0.00 -2.02 0.00 0.00 63.50 61.74 1vsa n PRO 39 Cb 0.32 -0.19 0.50 0.00 -0.02 0.00 0.00 33.50 34.11 1vsa n PRO 39 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1vsa n LYS 40 N 0.00 -0.06 0.00 -0.52 0.00 -1.26 -1.79 118.16 114.53 1vsa n LYS 40 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 58.31 59.60 1vsa n LYS 40 Cb 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 32.76 1vsa n LYS 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsa n ALA 41 N -2.46 -0.04 -0.73 0.58 0.00 -1.15 -2.25 120.51 114.47 1vsa n ALA 41 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1vsa n ALA 41 Cb 1.11 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.84 1vsa n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vsa n LYS 42 N -1.62 0.00 0.00 0.00 5.02 -0.74 -2.16 118.16 118.66 1vsa n LYS 42 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1vsa n LYS 42 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1vsa n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vsa n GLU 43 N -1.16 0.00 0.00 1.97 -0.58 -1.15 -2.38 120.64 117.33 1vsa n GLU 43 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vsa n GLU 43 Cb 0.00 -0.84 -0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1vsa n GLU 43 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1vsa n LEU 44 N 0.37 0.05 0.00 -4.62 7.99 -0.92 -4.82 117.00 115.05 1vsa n LEU 44 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1vsa n LEU 44 Cb 0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1vsa n LEU 44 CO 0.00 -0.51 0.00 -2.11 -1.51 0.00 0.00 177.39 173.26 1vsa n ARG 45 N -2.54 0.00 0.06 3.23 1.85 -1.00 0.10 116.66 118.36 1vsa n ARG 45 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1vsa n ARG 45 Cb 0.00 0.00 0.24 0.00 -1.05 0.00 0.00 32.46 31.65 1vsa n ARG 45 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vsa h GLY 46 N 0.00 0.37 -0.64 2.89 0.00 -1.94 -2.81 103.07 100.94 1vsa h GLY 46 Ca 0.00 -0.31 0.35 0.00 0.00 0.00 0.00 47.33 47.37 1vsa h GLY 46 CO 0.00 0.28 0.75 0.27 0.00 0.00 0.00 176.54 177.84 1vsa h PHE 47 N 0.30 0.60 0.24 5.60 -5.15 -0.65 0.80 116.94 118.68 1vsa h PHE 47 Ca 0.04 0.02 -0.33 0.00 -0.20 0.00 0.00 57.97 57.50 1vsa h PHE 47 Cb 0.70 -0.16 0.04 0.00 0.22 0.00 0.00 35.95 36.74 1vsa h PHE 47 CO 0.02 -0.09 -1.48 -0.39 -2.00 0.00 0.00 178.31 174.37 1vsa h VAL 48 N 0.23 1.29 -0.87 0.88 -1.51 -1.40 -3.31 116.25 111.55 1vsa h VAL 48 Ca 0.71 -2.73 0.32 0.00 -1.23 0.00 0.00 66.70 63.77 1vsa h VAL 48 Cb 2.05 3.03 -0.16 0.00 -2.13 0.00 0.00 31.29 34.07 1vsa h VAL 48 CO -0.38 0.82 0.30 0.47 -1.23 0.00 0.00 177.57 177.56 1vsa n ASP 49 N -3.70 0.15 0.00 4.19 10.43 0.28 -2.29 116.55 125.62 1vsa n ASP 49 Ca -0.16 1.46 0.00 0.00 2.57 0.00 0.00 54.79 58.66 1vsa n ASP 49 Cb 1.10 -0.65 0.00 0.00 1.84 0.00 0.00 41.12 43.41 1vsa n ASP 49 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1vsa n HIS 50 N -5.08 0.00 -0.30 1.24 -0.00 -1.07 -2.84 115.22 107.16 1vsa n HIS 50 Ca 0.28 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.43 1vsa n HIS 50 Cb 0.96 -0.26 -0.01 0.00 -0.12 0.00 0.00 29.99 30.56 1vsa n HIS 50 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1vsa n LEU 51 N -1.55 -0.61 0.00 0.27 -0.00 -0.97 -2.18 117.00 111.95 1vsa n LEU 51 Ca 0.00 1.34 0.00 0.00 -0.00 0.00 0.00 56.01 57.35 1vsa n LEU 51 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 1vsa n LEU 51 CO 0.00 -1.16 0.45 -0.38 -0.00 0.00 0.00 177.39 176.30 1vsa n ILE 52 N -5.06 0.00 0.18 1.47 2.08 -1.13 0.12 119.36 117.02 1vsa n ILE 52 Ca 0.05 1.35 0.08 0.00 0.56 0.00 0.00 62.75 64.79 1vsa n ILE 52 Cb 0.26 -1.80 0.42 0.00 -0.75 0.00 0.00 39.64 37.77 1vsa n ILE 52 CO 0.00 0.00 0.00 1.12 0.56 0.00 0.00 176.55 178.23 1vsa h HIS 53 N 0.00 0.00 0.00 1.39 2.07 -1.28 0.83 115.15 118.15 1vsa h HIS 53 Ca 0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 1vsa h HIS 53 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 1vsa h HIS 53 CO -0.82 0.00 -2.16 1.28 -3.07 0.00 0.00 177.93 173.17 1vsa n LEU 54 N -2.16 0.00 -0.06 6.12 4.77 0.22 -2.97 117.00 122.92 1vsa n LEU 54 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1vsa n LEU 54 Cb 0.31 0.20 0.88 0.00 -2.33 0.00 0.00 43.42 42.48 1vsa n LEU 54 CO 0.07 0.20 1.07 0.00 -1.33 0.00 0.00 177.39 177.40 1vsa n ALA 55 N -2.46 2.67 0.00 -1.18 0.00 0.32 -2.25 120.51 117.62 1vsa n ALA 55 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1vsa n ALA 55 Cb 0.81 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1vsa n ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vsa n LYS 56 N -0.84 2.94 -0.45 0.00 2.85 -0.45 -3.58 118.16 118.63 1vsa n LYS 56 Ca 0.23 0.00 0.38 0.00 -1.05 0.00 0.00 58.31 57.87 1vsa n LYS 56 Cb 0.14 -0.98 0.62 0.00 -0.65 0.00 0.00 35.03 34.16 1vsa n LYS 56 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1vsa n ARG 57 N -1.81 -0.03 0.00 -1.58 5.12 -1.16 -4.56 116.66 112.65 1vsa n ARG 57 Ca 0.00 1.09 0.00 0.00 -1.93 0.00 0.00 57.85 57.01 1vsa n ARG 57 Cb 0.36 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 1vsa n ARG 57 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vsa n GLY 58 N -1.52 1.89 1.33 -0.13 0.00 -1.26 -4.85 105.19 100.64 1vsa n GLY 58 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1vsa n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vsa n ASP 59 N 0.00 0.72 0.00 1.61 5.68 -1.26 -4.85 116.55 118.45 1vsa n ASP 59 Ca 0.00 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1vsa n ASP 59 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1vsa n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vsa n LEU 60 N -3.47 0.00 -0.21 -2.12 -0.00 -1.26 -2.67 117.00 107.26 1vsa n LEU 60 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 1vsa n LEU 60 Cb 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 43.76 1vsa n LEU 60 CO 0.00 0.00 0.64 1.41 -0.00 0.00 0.00 177.39 179.44 1vsa n HIS 61 N 0.00 0.68 0.00 1.47 8.25 -1.26 -2.79 115.22 121.57 1vsa n HIS 61 Ca 0.00 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1vsa n HIS 61 Cb 0.00 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1vsa n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vsa n ALA 62 N -2.68 0.00 -0.03 -1.41 0.00 -0.95 -1.87 120.51 113.57 1vsa n ALA 62 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1vsa n ALA 62 Cb 0.76 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 20.17 1vsa n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ARG 63 N 0.00 0.62 -0.53 0.00 2.47 -1.34 -3.07 114.38 112.52 1vsa h ARG 63 Ca 0.00 -0.50 0.15 0.00 -1.26 0.00 0.00 59.98 58.37 1vsa h ARG 63 Cb 0.00 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1vsa h ARG 63 CO 0.00 1.12 0.80 0.54 0.56 0.00 0.00 179.97 182.99 1vsa n ARG 64 N -4.13 0.01 0.00 0.04 1.74 -0.83 -2.04 116.66 111.45 1vsa n ARG 64 Ca -0.08 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1vsa n ARG 64 Cb 0.65 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1vsa n ARG 64 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1vsa n LEU 65 N -2.43 0.00 -0.30 0.55 -0.00 -0.78 -4.81 117.00 109.23 1vsa n LEU 65 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.08 1vsa n LEU 65 Cb 0.96 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.45 1vsa n LEU 65 CO 0.12 0.00 1.07 -0.37 -0.00 0.00 0.00 177.39 178.21 1vsa h VAL 66 N 0.00 1.26 0.00 1.47 -1.51 -1.31 -3.37 116.25 112.79 1vsa h VAL 66 Ca 0.00 -0.80 -0.42 0.00 -1.23 0.00 0.00 66.70 64.25 1vsa h VAL 66 Cb 0.53 0.26 0.11 0.00 -2.13 0.00 0.00 31.29 30.06 1vsa h VAL 66 CO 0.00 0.33 1.13 0.18 -1.23 0.00 0.00 177.57 177.99 1vsa n LEU 67 N -4.28 0.47 0.00 4.19 7.99 -1.15 -3.07 117.00 121.14 1vsa n LEU 67 Ca 0.08 -1.23 0.00 0.00 -0.01 0.00 0.00 56.01 54.85 1vsa n LEU 67 Cb 0.17 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 1vsa n LEU 67 CO 0.41 -1.72 0.00 -1.14 -1.51 0.00 0.00 177.39 173.42 1vsa n ARG 68 N 6.76 0.00 -0.89 3.23 0.63 -1.26 -4.99 116.66 120.14 1vsa n ARG 68 Ca 0.34 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.30 1vsa n ARG 68 Cb 0.37 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.33 1vsa n ARG 68 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1vsa n ASP 69 N -2.36 0.89 -2.25 6.15 10.43 -1.18 -4.80 116.55 123.44 1vsa n ASP 69 Ca 0.00 -2.36 -0.28 0.00 2.57 0.00 0.00 54.79 54.72 1vsa n ASP 69 Cb 0.00 -0.31 0.14 0.00 1.84 0.00 0.00 41.12 42.79 1vsa n ASP 69 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1vsa n LEU 70 N -0.08 7.09 -4.43 0.64 4.77 -1.18 -4.98 117.00 118.84 1vsa n LEU 70 Ca 0.07 -3.92 -0.57 0.00 -0.03 0.00 0.00 56.01 51.56 1vsa n LEU 70 Cb 0.88 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1vsa n LEU 70 CO -0.02 1.25 1.65 0.00 -1.33 0.00 0.00 177.39 178.94 1vsa n GLN 71 N -1.05 0.56 0.00 3.23 6.02 -1.26 -4.52 117.38 120.36 1vsa n GLN 71 Ca 0.61 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1vsa n GLN 71 Cb 1.22 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1vsa n GLN 71 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1vsa n ASP 72 N 7.78 0.00 0.25 1.08 4.64 -1.26 -5.01 116.55 124.02 1vsa n ASP 72 Ca 0.44 0.00 0.16 0.00 -1.38 0.00 0.00 54.79 54.01 1vsa n ASP 72 Cb 0.08 0.00 0.57 0.00 -1.04 0.00 0.00 41.12 40.73 1vsa n ASP 72 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1vsa h VAL 73 N 0.00 0.00 0.00 5.18 3.04 -1.93 -3.08 116.25 119.45 1vsa h VAL 73 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1vsa h VAL 73 Cb 0.00 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1vsa h VAL 73 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 176.85 1vsa n LYS 74 N -2.98 0.00 0.10 4.17 4.76 -1.26 0.35 118.16 123.30 1vsa n LYS 74 Ca 0.01 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.68 1vsa n LYS 74 Cb 0.34 -0.73 0.45 0.00 -1.84 0.00 0.00 35.03 33.26 1vsa n LYS 74 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1vsa n LEU 75 N -0.35 0.51 -0.02 -0.35 4.77 -1.26 -2.85 117.00 117.46 1vsa n LEU 75 Ca 0.00 0.64 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 1vsa n LEU 75 Cb 0.00 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1vsa n LEU 75 CO 0.00 -0.54 -0.73 0.52 -1.33 0.00 0.00 177.39 175.31 1vsa n VAL 76 N -2.08 0.46 -0.15 4.08 0.31 -1.15 -2.23 118.33 117.57 1vsa n VAL 76 Ca 0.02 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 1vsa n VAL 76 Cb 0.19 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1vsa n VAL 76 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1vsa h ARG 77 N 0.00 0.94 -0.41 5.55 0.11 0.62 -2.90 114.38 118.28 1vsa h ARG 77 Ca -0.13 -0.41 -0.09 0.00 0.10 0.00 0.00 59.98 59.45 1vsa h ARG 77 Cb 1.32 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 1vsa h ARG 77 CO 0.01 1.07 -0.12 0.87 0.10 0.00 0.00 179.97 181.89 1vsa h LYS 78 N 0.78 0.74 -0.45 0.08 1.79 -1.65 -1.71 116.57 116.15 1vsa h LYS 78 Ca 0.10 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1vsa h LYS 78 Cb 0.78 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1vsa h LYS 78 CO 0.06 0.84 0.00 1.28 -1.08 0.00 0.00 179.45 180.55 1vsa n LEU 79 N -4.16 0.45 0.00 2.94 4.77 -0.95 0.15 117.00 120.20 1vsa n LEU 79 Ca 0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1vsa n LEU 79 Cb 0.37 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1vsa n LEU 79 CO 0.43 0.11 -0.17 0.49 -1.33 0.00 0.00 177.39 176.92 1vsa n PHE 80 N -0.09 0.00 -0.56 -1.77 0.99 -0.66 -2.66 117.46 112.70 1vsa n PHE 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1vsa n PHE 80 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 1vsa n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1vsa n ASP 81 N -0.83 0.10 0.00 4.37 5.68 -0.91 -4.36 116.55 120.60 1vsa n ASP 81 Ca 0.00 -0.69 -0.04 0.00 -0.50 0.00 0.00 54.79 53.56 1vsa n ASP 81 Cb 0.00 0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 1vsa n ASP 81 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1vsa n GLU 82 N -0.05 0.13 0.01 0.11 0.28 0.40 -4.65 120.64 116.87 1vsa n GLU 82 Ca 0.00 0.05 -0.18 0.00 -0.16 0.00 0.00 57.16 56.88 1vsa n GLU 82 Cb 0.14 -0.73 -0.11 0.00 1.43 0.00 0.00 31.44 32.17 1vsa n GLU 82 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1vsa h ILE 83 N -0.24 1.42 0.00 3.84 1.08 -1.25 -3.07 117.51 119.28 1vsa h ILE 83 Ca -0.05 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 1vsa h ILE 83 Cb 0.50 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1vsa h ILE 83 CO -0.03 0.62 0.00 0.00 -0.69 0.00 0.00 178.15 178.05 1vsa n ALA 84 N -2.60 0.00 0.02 1.87 0.00 -1.09 0.09 120.51 118.81 1vsa n ALA 84 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1vsa n ALA 84 Cb 0.70 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.29 1vsa n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1vsa h PRO 85 N 0.00 -0.52 -0.55 0.00 0.11 -1.80 0.88 132.00 130.11 1vsa h PRO 85 Ca 0.00 0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.30 1vsa h PRO 85 Cb 0.00 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1vsa h PRO 85 CO 0.00 -0.35 0.47 0.07 -0.21 0.00 0.00 178.00 177.98 1vsa h ARG 86 N -0.54 0.00 -0.74 1.05 0.11 -1.42 0.66 114.38 113.49 1vsa h ARG 86 Ca 0.06 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.60 1vsa h ARG 86 Cb 0.65 0.00 -0.42 0.00 1.11 0.00 0.00 29.97 31.31 1vsa h ARG 86 CO -0.37 0.00 -0.80 0.66 0.10 0.00 0.00 179.97 179.56 1vsa n TYR 87 N -4.01 2.70 -0.02 4.08 4.02 0.11 -4.55 117.16 119.49 1vsa n TYR 87 Ca 0.10 -2.21 0.01 0.00 -0.01 0.00 0.00 57.90 55.79 1vsa n TYR 87 Cb 0.69 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 1vsa n TYR 87 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1vsa n ARG 88 N -0.72 1.29 -1.37 -0.72 0.00 0.29 -4.67 116.66 110.75 1vsa n ARG 88 Ca 0.44 -0.05 -0.23 0.00 -0.00 0.00 0.00 57.85 58.00 1vsa n ARG 88 Cb 0.96 -1.22 -0.09 0.00 0.00 0.00 0.00 32.46 32.11 1vsa n ARG 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1vsa n ASP 89 N -2.05 6.22 -1.48 6.15 5.68 -1.19 -4.86 116.55 125.02 1vsa n ASP 89 Ca -0.07 -3.00 -0.03 0.00 -0.50 0.00 0.00 54.79 51.19 1vsa n ASP 89 Cb 0.48 -1.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 1vsa n ASP 89 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1vsa n ARG 90 N 1.38 0.25 -3.31 0.11 1.74 -1.26 -5.16 116.66 110.41 1vsa n ARG 90 Ca 0.48 -0.64 0.03 0.00 -0.77 0.00 0.00 57.85 56.95 1vsa n ARG 90 Cb 0.64 0.71 -0.04 0.00 -1.02 0.00 0.00 32.46 32.74 1vsa n ARG 90 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1vsa s GLN 91 N -2.10 0.12 0.00 5.56 -1.52 -1.26 -5.08 119.66 115.38 1vsa s GLN 91 Ca 0.06 0.30 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 1vsa s GLN 91 Cb -0.01 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1vsa s GLN 91 CO 0.04 -0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.45 1vsa n GLY 92 N 4.51 0.31 3.60 3.09 0.00 -1.26 -4.92 105.19 110.51 1vsa n GLY 92 Ca -0.09 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1vsa n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsa s GLY 93 N 0.00 0.91 -0.09 -0.02 0.00 -1.26 -4.79 107.32 102.07 1vsa s GLY 93 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 44.72 44.95 1vsa s GLY 93 CO 0.00 3.08 1.11 1.58 0.00 0.00 0.00 173.10 178.87 1vsa n TYR 94 N 9.72 0.04 -3.90 1.90 0.18 -1.26 -5.00 117.16 118.83 1vsa n TYR 94 Ca 0.20 -0.83 -0.36 0.00 1.88 0.00 0.00 57.90 58.80 1vsa n TYR 94 Cb 0.47 -0.12 -0.12 0.00 -0.38 0.00 0.00 39.34 39.19 1vsa n TYR 94 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1vsa s THR 95 N -2.25 4.47 -0.24 -3.48 -4.23 -1.26 -4.57 115.64 104.08 1vsa s THR 95 Ca 0.22 -0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.40 1vsa s THR 95 Cb 0.19 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1vsa s THR 95 CO 0.02 0.39 0.60 -0.13 -0.54 0.00 0.00 174.62 174.96 1vsa s ARG 96 N 1.09 4.13 -0.16 3.99 1.81 -0.73 -5.02 118.95 124.06 1vsa s ARG 96 Ca 0.04 0.51 -0.10 0.00 -1.72 0.00 0.00 55.73 54.45 1vsa s ARG 96 Cb -0.14 -3.63 0.05 0.00 -0.45 0.00 0.00 34.95 30.78 1vsa s ARG 96 CO 0.03 -0.35 0.40 0.08 -0.68 0.00 0.00 175.30 174.78 1vsa s VAL 97 N 2.30 -0.02 0.23 3.52 1.01 -1.26 -2.62 120.40 123.57 1vsa s VAL 97 Ca 0.25 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1vsa s VAL 97 Cb -0.16 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1vsa s VAL 97 CO 0.09 0.03 0.33 -0.76 0.00 0.00 0.00 175.10 174.79 1vsa s LEU 98 N 1.06 0.71 0.52 3.92 1.02 -1.15 -4.95 118.68 119.81 1vsa s LEU 98 Ca -0.07 -1.16 -0.21 0.00 0.02 0.00 0.00 54.13 52.71 1vsa s LEU 98 Cb -0.07 1.16 -0.06 0.00 0.02 0.00 0.00 46.19 47.24 1vsa s LEU 98 CO -0.09 -1.02 1.22 -0.54 0.02 0.00 0.00 176.35 175.94 1vsa s LYS 99 N -4.03 3.41 0.47 1.70 -0.14 -1.26 -1.26 119.74 118.64 1vsa s LYS 99 Ca 0.30 1.88 0.03 0.00 -1.36 0.00 0.00 55.97 56.82 1vsa s LYS 99 Cb 0.03 -2.24 0.03 0.00 -1.68 0.00 0.00 37.83 33.97 1vsa s LYS 99 CO 0.11 -0.87 0.21 1.28 -0.76 0.00 0.00 175.35 175.33 1vsa n LEU 100 N -0.92 0.00 -4.67 3.17 4.77 -1.14 -4.72 117.00 113.49 1vsa n LEU 100 Ca 0.10 -2.65 -0.42 0.00 -0.03 0.00 0.00 56.01 53.00 1vsa n LEU 100 Cb 0.48 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1vsa n LEU 100 CO 0.48 -0.49 1.30 0.00 -1.33 0.00 0.00 177.39 177.35 1vsa s ALA 101 N -2.73 3.63 0.13 -1.18 0.00 -1.26 -4.92 121.76 115.43 1vsa s ALA 101 Ca 0.16 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1vsa s ALA 101 Cb -0.01 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1vsa s ALA 101 CO 0.10 -1.27 0.00 -1.91 0.00 0.00 0.00 175.76 172.68 1vsa n GLU 102 N 6.66 -1.15 -0.93 0.00 4.07 -1.26 -4.30 120.64 123.73 1vsa n GLU 102 Ca 0.16 0.76 -0.19 0.00 -0.06 0.00 0.00 57.16 57.83 1vsa n GLU 102 Cb 0.43 -1.41 0.10 0.00 -0.06 0.00 0.00 31.44 30.50 1vsa n GLU 102 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vsa n ARG 103 N -1.99 1.97 0.00 5.31 5.12 -1.26 -4.61 116.66 121.20 1vsa n ARG 103 Ca 0.00 -2.13 0.00 0.00 -1.93 0.00 0.00 57.85 53.79 1vsa n ARG 103 Cb 0.57 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1vsa n ARG 103 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1vsa n ARG 104 N -0.44 0.00 0.20 5.56 0.63 -1.26 -3.07 116.66 118.28 1vsa n ARG 104 Ca 0.42 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1vsa n ARG 104 Cb 1.03 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.94 1vsa n ARG 104 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1vsa n ARG 105 N 14.00 0.00 0.27 -0.14 1.85 -1.26 -4.94 116.66 126.44 1vsa n ARG 105 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1vsa n ARG 105 Cb 0.00 0.00 0.76 0.00 -1.05 0.00 0.00 32.46 32.17 1vsa n ARG 105 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vsa h GLY 106 N 0.00 0.00 0.00 2.89 0.00 -2.06 -3.45 103.07 100.45 1vsa h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vsa h GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1vsa n ASP 107 N -3.67 0.00 -2.90 0.19 9.92 -1.26 -5.08 116.55 113.75 1vsa n ASP 107 Ca -0.02 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.12 1vsa n ASP 107 Cb 0.21 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.73 1vsa n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vsa n GLY 108 N 0.00 1.66 2.16 0.44 0.00 -1.24 -4.82 105.19 103.38 1vsa n GLY 108 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1vsa n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 109 N 0.44 0.67 0.92 4.61 0.00 -1.17 -4.72 120.51 121.27 1vsa n ALA 109 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1vsa n ALA 109 Cb 0.68 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1vsa n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1vsa n PRO 110 N 3.39 0.92 -0.59 0.00 -0.04 -1.26 -4.57 135.00 132.84 1vsa n PRO 110 Ca 0.38 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 1vsa n PRO 110 Cb 0.11 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.38 1vsa n PRO 110 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1vsa n LEU 111 N 0.12 0.33 -3.65 1.53 4.32 -1.25 -0.37 117.00 118.02 1vsa n LEU 111 Ca 0.00 0.10 -0.10 0.00 -0.02 0.00 0.00 56.01 55.99 1vsa n LEU 111 Cb 0.27 -1.31 -0.03 0.00 -1.62 0.00 0.00 43.42 40.73 1vsa n LEU 111 CO 0.00 -2.90 0.36 0.00 -1.22 0.00 0.00 177.39 173.63 1vsa s ALA 112 N -2.47 -1.23 0.17 -1.18 0.00 0.21 -2.90 121.76 114.36 1vsa s ALA 112 Ca 0.66 0.01 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1vsa s ALA 112 Cb -0.23 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.66 1vsa s ALA 112 CO 0.63 -0.84 1.46 -1.17 0.00 0.00 0.00 175.76 175.84 1vsa s LEU 113 N -2.84 4.38 -0.33 0.00 1.98 -0.39 -2.77 118.68 118.71 1vsa s LEU 113 Ca 0.06 2.51 -0.01 0.00 -2.89 0.00 0.00 54.13 53.80 1vsa s LEU 113 Cb -0.02 -3.60 0.11 0.00 0.66 0.00 0.00 46.19 43.34 1vsa s LEU 113 CO -0.05 -0.72 0.13 -0.69 -1.89 0.00 0.00 176.35 173.14 1vsa s VAL 114 N 0.83 0.72 0.26 1.68 1.01 -0.81 -2.91 120.40 121.19 1vsa s VAL 114 Ca 0.65 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1vsa s VAL 114 Cb -0.40 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1vsa s VAL 114 CO 0.34 -0.75 0.32 -1.83 0.00 0.00 0.00 175.10 173.18 1vsa s GLU 115 N 1.46 1.50 0.00 2.72 -1.05 -1.08 -0.42 118.70 121.84 1vsa s GLU 115 Ca 0.12 -1.57 0.00 0.00 -0.15 0.00 0.00 54.97 53.36 1vsa s GLU 115 Cb -0.19 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1vsa s GLU 115 CO -0.21 -0.57 0.96 1.28 0.95 0.00 0.00 175.26 177.66 1vsa n LEU 116 N -0.40 0.00 0.00 1.83 4.32 -1.19 -2.88 117.00 118.68 1vsa n LEU 116 Ca 0.01 0.96 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 1vsa n LEU 116 Cb 0.63 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1vsa n LEU 116 CO 0.29 -0.46 0.00 0.55 -1.22 0.00 0.00 177.39 176.55 1vsa n VAL 117 N -2.07 0.00 0.90 4.08 3.14 -1.26 -1.78 118.33 121.35 1vsa n VAL 117 Ca 0.00 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 1vsa n VAL 117 Cb 0.00 0.00 0.43 0.00 -1.06 0.00 0.00 33.84 33.21 1vsa n VAL 117 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75