#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n ALA 3 N 0.00 -3.48 -3.54 -1.84 0.00 -1.26 -4.45 120.51 105.95 1vsa n ALA 3 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 1vsa n ALA 3 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 1vsa n ALA 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1vsa s LYS 4 N -1.35 1.03 0.00 0.00 2.36 -1.26 -2.21 119.74 118.30 1vsa s LYS 4 Ca -0.04 -0.42 0.00 0.00 -2.55 0.00 0.00 55.97 52.96 1vsa s LYS 4 Cb 0.00 0.44 0.00 0.00 -1.05 0.00 0.00 37.83 37.22 1vsa s LYS 4 CO 0.71 -0.45 0.00 0.00 1.55 0.00 0.00 175.35 177.15 1vsa n ALA 5 N -0.32 0.00 -3.84 3.13 0.00 -0.23 -4.32 120.51 114.93 1vsa n ALA 5 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1vsa n ALA 5 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1vsa n ALA 5 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vsa s ILE 6 N 2.23 0.00 -0.37 0.00 -0.00 -1.26 -4.49 121.20 117.31 1vsa s ILE 6 Ca 0.00 -0.97 0.06 0.00 -0.00 0.00 0.00 60.65 59.75 1vsa s ILE 6 Cb 0.00 -2.28 0.28 0.00 -0.00 0.00 0.00 42.46 40.46 1vsa s ILE 6 CO 0.00 0.00 1.26 0.00 -0.00 0.00 0.00 174.94 176.20 1vsa n ALA 7 N -0.49 -0.01 -2.39 2.27 0.00 -0.97 -4.37 120.51 114.57 1vsa n ALA 7 Ca -0.05 -1.01 -0.19 0.00 0.00 0.00 0.00 53.44 52.18 1vsa n ALA 7 Cb 0.59 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1vsa n ALA 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1vsa s ARG 8 N 0.15 1.46 -0.18 0.00 1.04 -1.26 -1.05 118.95 119.11 1vsa s ARG 8 Ca 0.16 -1.73 -0.01 0.00 -1.04 0.00 0.00 55.73 53.11 1vsa s ARG 8 Cb 0.29 -0.94 -0.01 0.00 -2.04 0.00 0.00 34.95 32.24 1vsa s ARG 8 CO -0.07 -0.01 0.16 0.98 -0.04 0.00 0.00 175.30 176.32 1vsa n TYR 9 N -0.51 -0.47 -2.18 5.89 -0.00 -1.16 -4.99 117.16 113.75 1vsa n TYR 9 Ca -0.05 0.17 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 1vsa n TYR 9 Cb 0.63 -2.61 0.00 0.00 -0.00 0.00 0.00 39.34 37.37 1vsa n TYR 9 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1vsa n VAL 10 N -1.66 0.00 -1.01 2.97 0.31 -1.05 -4.92 118.33 112.97 1vsa n VAL 10 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1vsa n VAL 10 Cb 0.52 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1vsa n VAL 10 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vsa n ARG 11 N -0.52 0.00 0.00 5.55 0.63 -1.26 -4.41 116.66 116.65 1vsa n ARG 11 Ca 0.00 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1vsa n ARG 11 Cb 0.00 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.41 1vsa n ARG 11 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1vsa n ILE 12 N 0.00 0.00 -2.23 5.15 5.41 -1.13 -4.48 119.36 122.08 1vsa n ILE 12 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 1vsa n ILE 12 Cb 0.28 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.18 1vsa n ILE 12 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1vsa s SER 13 N 1.35 5.81 0.38 4.38 0.15 -1.19 -2.69 113.70 121.89 1vsa s SER 13 Ca 0.00 0.39 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1vsa s SER 13 Cb 0.00 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.52 1vsa s SER 13 CO 0.00 -1.95 2.01 -0.65 1.20 0.00 0.00 173.24 173.86 1vsa h PRO 14 N 12.56 0.63 0.00 5.44 0.11 -1.84 -2.13 132.00 146.77 1vsa h PRO 14 Ca -0.28 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1vsa h PRO 14 Cb 1.12 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1vsa h PRO 14 CO 1.18 0.45 -0.36 0.07 -0.21 0.00 0.00 178.00 179.13 1vsa h ARG 15 N 0.64 0.00 0.00 1.05 0.11 -1.92 -2.48 114.38 111.77 1vsa h ARG 15 Ca 0.17 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.22 1vsa h ARG 15 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 1vsa h ARG 15 CO -0.03 0.36 -0.14 0.87 0.10 0.00 0.00 179.97 181.13 1vsa h LYS 16 N 0.00 0.00 0.08 0.08 1.57 -1.81 -3.25 116.57 113.24 1vsa h LYS 16 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vsa h LYS 16 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1vsa h LYS 16 CO 0.05 0.14 -0.04 -0.39 -0.57 0.00 0.00 179.45 178.64 1vsa h VAL 17 N 0.00 0.00 0.00 0.50 -1.51 -1.43 -3.40 116.25 110.42 1vsa h VAL 17 Ca -0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1vsa h VAL 17 Cb 0.66 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1vsa h VAL 17 CO 0.02 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.90 1vsa n ARG 18 N -4.30 0.00 0.18 5.19 3.00 -1.10 0.41 116.66 120.04 1vsa n ARG 18 Ca -0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.85 57.99 1vsa n ARG 18 Cb 0.04 0.00 0.63 0.00 0.00 0.00 0.00 32.46 33.13 1vsa n ARG 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1vsa h LEU 19 N 0.00 0.00 -1.96 0.55 3.38 -1.83 2.37 115.31 117.82 1vsa h LEU 19 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vsa h LEU 19 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vsa h LEU 19 CO 0.00 0.00 -0.02 0.58 0.09 0.00 0.00 178.44 179.09 1vsa h VAL 20 N 0.00 1.01 0.04 1.22 2.07 0.79 1.07 116.25 122.45 1vsa h VAL 20 Ca 0.13 -0.07 -0.23 0.00 0.82 0.00 0.00 66.70 67.35 1vsa h VAL 20 Cb 1.30 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1vsa h VAL 20 CO -0.00 0.02 -1.25 -0.37 0.02 0.00 0.00 177.57 175.99 1vsa h VAL 21 N 0.00 0.99 0.00 2.57 -1.51 0.42 -3.22 116.25 115.50 1vsa h VAL 21 Ca -0.00 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 1vsa h VAL 21 Cb 0.04 2.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1vsa h VAL 21 CO 0.00 0.50 0.00 0.47 -1.23 0.00 0.00 177.57 177.31 1vsa n ASP 22 N -4.23 0.43 0.04 4.19 10.43 -0.95 0.85 116.55 127.32 1vsa n ASP 22 Ca -0.28 0.69 -0.20 0.00 2.57 0.00 0.00 54.79 57.57 1vsa n ASP 22 Cb 0.75 -0.75 -0.11 0.00 1.84 0.00 0.00 41.12 42.85 1vsa n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1vsa h LEU 23 N 0.00 0.79 -4.16 0.64 5.85 0.11 -3.34 115.31 115.19 1vsa h LEU 23 Ca 0.00 -0.76 -0.58 0.00 0.84 0.00 0.00 57.88 57.38 1vsa h LEU 23 Cb 0.05 -0.24 -0.42 0.00 0.37 0.00 0.00 40.66 40.42 1vsa h LEU 23 CO 0.00 1.45 -0.70 2.30 -0.34 0.00 0.00 178.44 181.15 1vsa n ILE 24 N -3.96 2.49 -3.99 4.05 -6.64 0.25 -5.03 119.36 106.53 1vsa n ILE 24 Ca -0.11 -4.55 -0.31 0.00 -1.77 0.00 0.00 62.75 56.01 1vsa n ILE 24 Cb 0.83 -1.21 -0.05 0.00 -1.44 0.00 0.00 39.64 37.77 1vsa n ILE 24 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1vsa s ARG 25 N -3.58 3.12 0.00 6.28 0.52 0.16 -4.45 118.95 121.00 1vsa s ARG 25 Ca 0.50 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1vsa s ARG 25 Cb 0.41 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1vsa s ARG 25 CO -0.09 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1vsa n GLY 26 N 0.40 0.96 0.00 -3.53 0.00 -0.82 -4.96 105.19 97.23 1vsa n GLY 26 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1vsa n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vsa n LYS 27 N -2.00 3.35 -4.32 1.61 4.76 -1.25 -4.75 118.16 115.57 1vsa n LYS 27 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1vsa n LYS 27 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1vsa n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1vsa s SER 28 N -1.00 1.25 0.18 4.39 0.01 -1.26 -0.05 113.70 117.22 1vsa s SER 28 Ca 0.00 -1.47 -0.22 0.00 1.31 0.00 0.00 55.95 55.58 1vsa s SER 28 Cb 0.00 0.29 0.10 0.00 0.21 0.00 0.00 66.02 66.62 1vsa s SER 28 CO 0.00 -0.81 1.59 0.17 0.41 0.00 0.00 173.24 174.59 1vsa h LEU 29 N 2.33 -1.16 0.00 2.44 -0.00 -0.68 -2.95 115.31 115.27 1vsa h LEU 29 Ca -0.36 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1vsa h LEU 29 Cb 1.25 0.56 0.00 0.00 -0.00 0.00 0.00 40.66 42.47 1vsa h LEU 29 CO 0.56 -0.31 0.00 -0.62 -0.00 0.00 0.00 178.44 178.07 1vsa n GLU 30 N -5.43 0.00 0.00 0.17 1.02 -1.26 -2.58 120.64 112.56 1vsa n GLU 30 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1vsa n GLU 30 Cb 0.35 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1vsa n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1vsa n GLU 31 N 0.00 0.00 0.00 3.49 4.71 -1.15 -2.02 120.64 125.67 1vsa n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1vsa n GLU 31 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1vsa n GLU 31 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1vsa n ALA 32 N -0.14 -0.01 -0.06 0.62 0.00 -1.13 -2.16 120.51 117.62 1vsa n ALA 32 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1vsa n ALA 32 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 1vsa n ALA 32 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1vsa n ARG 33 N -0.91 -0.05 0.00 0.00 1.85 -0.86 -2.54 116.66 114.16 1vsa n ARG 33 Ca 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 1vsa n ARG 33 Cb 0.00 -0.35 0.00 0.00 -1.05 0.00 0.00 32.46 31.06 1vsa n ARG 33 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1vsa n ASN 34 N -4.22 0.00 0.00 2.89 6.94 -1.15 -2.95 115.26 116.77 1vsa n ASN 34 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1vsa n ASN 34 Cb 0.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1vsa n ASN 34 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1vsa n ILE 35 N 0.00 0.00 0.03 1.53 2.08 -0.92 0.64 119.36 122.72 1vsa n ILE 35 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 1vsa n ILE 35 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 1vsa n ILE 35 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1vsa h LEU 36 N 0.00 -0.00 -0.96 1.39 3.38 -1.75 -1.59 115.31 115.78 1vsa h LEU 36 Ca 0.00 -0.06 0.37 0.00 0.09 0.00 0.00 57.88 58.28 1vsa h LEU 36 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 1vsa h LEU 36 CO 0.00 0.06 0.39 -1.14 0.09 0.00 0.00 178.44 177.85 1vsa n ARG 37 N -5.06 -0.06 -2.29 1.13 0.63 0.21 0.13 116.66 111.34 1vsa n ARG 37 Ca -0.07 1.35 -0.39 0.00 -0.92 0.00 0.00 57.85 57.82 1vsa n ARG 37 Cb 0.06 -2.35 0.02 0.00 0.45 0.00 0.00 32.46 30.64 1vsa n ARG 37 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1vsa n TYR 38 N -5.23 2.99 -3.53 -0.14 9.36 -0.61 -4.85 117.16 115.16 1vsa n TYR 38 Ca 0.33 -2.56 -0.16 0.00 3.32 0.00 0.00 57.90 58.83 1vsa n TYR 38 Cb 1.11 -1.07 -0.12 0.00 -0.63 0.00 0.00 39.34 38.62 1vsa n TYR 38 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1vsa s THR 39 N -4.80 -0.39 1.33 2.97 2.01 0.35 -4.91 115.64 112.21 1vsa s THR 39 Ca 0.47 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1vsa s THR 39 Cb 0.33 -0.61 0.33 0.00 0.01 0.00 0.00 72.50 72.56 1vsa s THR 39 CO -0.28 -0.08 0.99 0.54 -0.69 0.00 0.00 174.62 175.10 1vsa s ASN 40 N 2.38 -0.25 0.00 3.53 4.22 -1.26 -4.60 114.94 118.96 1vsa s ASN 40 Ca 0.06 0.90 0.00 0.00 -2.14 0.00 0.00 52.86 51.68 1vsa s ASN 40 Cb -0.14 -1.30 0.00 0.00 1.28 0.00 0.00 41.25 41.09 1vsa s ASN 40 CO -0.11 -4.87 0.00 0.29 -2.04 0.00 0.00 177.10 170.37 1vsa n LYS 41 N -5.30 0.00 0.00 3.55 5.02 -1.26 -4.90 118.16 115.27 1vsa n LYS 41 Ca 0.11 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1vsa n LYS 41 Cb 0.59 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1vsa n LYS 41 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vsa n ARG 42 N -0.69 0.00 0.00 1.97 3.00 -1.26 -4.61 116.66 115.07 1vsa n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 42 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.72 1vsa n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 43 N 0.00 0.00 0.00 5.14 0.00 -1.26 -3.04 105.19 106.03 1vsa n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vsa n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 44 N 0.00 0.00 0.00 4.61 0.00 -1.26 -1.37 120.51 122.49 1vsa n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vsa n ALA 44 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1vsa n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1vsa n TYR 45 N -1.75 0.00 0.00 0.00 9.36 -1.17 -2.48 117.16 121.12 1vsa n TYR 45 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1vsa n TYR 45 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1vsa n TYR 45 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1vsa n PHE 46 N -0.53 -0.03 0.24 2.98 3.72 -0.47 -4.59 117.46 118.78 1vsa n PHE 46 Ca 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1vsa n PHE 46 Cb 0.04 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1vsa n PHE 46 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1vsa n VAL 47 N -2.56 0.00 0.00 -4.37 0.24 -0.99 -1.88 118.33 108.76 1vsa n VAL 47 Ca 0.00 0.75 0.00 0.00 -2.04 0.00 0.00 64.34 63.05 1vsa n VAL 47 Cb 0.00 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 1vsa n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsa n ALA 48 N -1.24 -0.02 -0.39 2.33 0.00 -1.07 -2.72 120.51 117.39 1vsa n ALA 48 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 1vsa n ALA 48 Cb 0.75 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.75 1vsa n ALA 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vsa n LYS 49 N -0.67 -0.03 0.00 0.00 3.00 -0.79 -0.96 118.16 118.72 1vsa n LYS 49 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 1vsa n LYS 49 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1vsa n LYS 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vsa n VAL 50 N -4.27 0.00 0.25 3.15 0.31 -1.05 -2.50 118.33 114.23 1vsa n VAL 50 Ca 0.33 1.35 0.18 0.00 -0.01 0.00 0.00 64.34 66.19 1vsa n VAL 50 Cb 1.28 -2.05 0.87 0.00 -0.91 0.00 0.00 33.84 33.04 1vsa n VAL 50 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1vsa h LEU 51 N 0.00 0.00 -0.23 7.52 -0.00 -0.84 -2.04 115.31 119.71 1vsa h LEU 51 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1vsa h LEU 51 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1vsa h LEU 51 CO 0.00 0.00 -0.10 -0.08 -0.00 0.00 0.00 178.44 178.26 1vsa h GLU 52 N 0.00 0.48 0.14 0.17 4.81 -1.38 -3.14 114.58 115.67 1vsa h GLU 52 Ca 0.06 -0.21 -0.29 0.00 -0.13 0.00 0.00 59.36 58.80 1vsa h GLU 52 Cb 0.58 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1vsa h GLU 52 CO -0.00 0.75 -1.27 0.66 -0.73 0.00 0.00 179.01 178.42 1vsa h SER 53 N 0.20 0.57 0.00 1.04 4.64 -1.28 -2.88 113.55 115.84 1vsa h SER 53 Ca 0.05 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1vsa h SER 53 Cb 0.60 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1vsa h SER 53 CO 0.03 1.44 0.00 0.00 -0.87 0.00 0.00 176.83 177.43 1vsa n ALA 54 N -2.59 -0.05 1.41 5.18 0.00 -0.82 -2.43 120.51 121.21 1vsa n ALA 54 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1vsa n ALA 54 Cb 1.02 0.35 0.59 0.00 0.00 0.00 0.00 19.45 21.41 1vsa n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 55 N -2.20 2.79 -0.20 0.00 0.00 -1.19 -2.47 120.51 117.24 1vsa n ALA 55 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.07 1vsa n ALA 55 Cb 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.16 1vsa n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ALA 56 N 3.66 0.73 0.09 0.00 0.00 -1.24 0.58 119.26 123.09 1vsa h ALA 56 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 1vsa h ALA 56 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1vsa h ALA 56 CO 0.00 0.44 -1.84 -1.71 0.00 0.00 0.00 179.25 176.14 1vsa n ASN 57 N -4.40 2.06 0.14 0.00 5.15 -1.11 -2.95 115.26 114.16 1vsa n ASN 57 Ca 0.02 0.26 0.06 0.00 -0.60 0.00 0.00 54.58 54.33 1vsa n ASN 57 Cb 0.23 -0.89 0.34 0.00 -0.53 0.00 0.00 39.78 38.94 1vsa n ASN 57 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vsa n ALA 58 N -3.11 0.71 -0.95 5.20 0.00 -1.03 0.54 120.51 121.86 1vsa n ALA 58 Ca -0.32 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.32 1vsa n ALA 58 Cb 0.96 -0.87 0.17 0.00 0.00 0.00 0.00 19.45 19.71 1vsa n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vsa n VAL 59 N -1.98 1.93 0.00 0.00 0.31 0.19 -2.44 118.33 116.35 1vsa n VAL 59 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 64.34 62.29 1vsa n VAL 59 Cb 0.24 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1vsa n VAL 59 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1vsa n ASN 60 N -1.03 0.00 -1.28 4.52 4.13 2.10 -4.32 115.26 119.37 1vsa n ASN 60 Ca 0.17 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.42 1vsa n ASN 60 Cb 0.69 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 39.09 1vsa n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1vsa n ASN 61 N -0.51 3.27 0.00 6.41 5.03 0.02 -3.53 115.26 125.95 1vsa n ASN 61 Ca 0.00 -2.53 0.00 0.00 0.87 0.00 0.00 54.58 52.92 1vsa n ASN 61 Cb 0.00 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.15 1vsa n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1vsa n HIS 62 N 0.13 0.00 -1.88 3.10 8.25 -0.97 -4.94 115.22 118.91 1vsa n HIS 62 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1vsa n HIS 62 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1vsa n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1vsa n ASP 63 N 0.00 -4.65 0.00 0.41 9.92 -1.05 -4.69 116.55 116.49 1vsa n ASP 63 Ca 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1vsa n ASP 63 Cb 0.06 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1vsa n ASP 63 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1vsa n MET 64 N 1.94 1.95 -3.15 -1.24 2.81 -1.02 -4.84 117.12 113.56 1vsa n MET 64 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1vsa n MET 64 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1vsa n MET 64 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1vsa s LEU 65 N 0.00 -0.55 0.63 4.03 2.96 -1.26 -4.98 118.68 119.52 1vsa s LEU 65 Ca 0.00 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1vsa s LEU 65 Cb 0.00 1.40 -0.00 0.00 0.50 0.00 0.00 46.19 48.09 1vsa s LEU 65 CO 0.00 -0.10 -0.15 1.21 -1.32 0.00 0.00 176.35 175.99 1vsa n GLU 66 N 5.31 -0.32 0.00 1.98 2.13 -1.26 -2.92 120.64 125.56 1vsa n GLU 66 Ca 0.01 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1vsa n GLU 66 Cb 0.55 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1vsa n GLU 66 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1vsa n ASP 67 N 2.47 0.00 0.02 4.31 4.64 -1.26 -3.99 116.55 122.74 1vsa n ASP 67 Ca 0.01 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 53.44 1vsa n ASP 67 Cb 0.15 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.13 1vsa n ASP 67 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 1vsa n ARG 68 N 0.00 0.63 -1.52 -0.67 0.00 -1.17 -4.77 116.66 109.15 1vsa n ARG 68 Ca 0.00 0.10 -0.39 0.00 -0.00 0.00 0.00 57.85 57.56 1vsa n ARG 68 Cb 0.00 -1.72 -0.07 0.00 -0.00 0.00 0.00 32.46 30.67 1vsa n ARG 68 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1vsa n LEU 69 N -2.73 1.67 -4.78 2.89 4.77 -1.15 -3.01 117.00 114.67 1vsa n LEU 69 Ca -0.10 -0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.36 1vsa n LEU 69 Cb 0.79 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1vsa n LEU 69 CO 0.43 -1.20 0.73 -0.72 -1.33 0.00 0.00 177.39 175.30 1vsa s TYR 70 N 10.64 2.75 -0.86 -1.77 1.13 -1.17 -0.00 117.35 128.08 1vsa s TYR 70 Ca 1.11 1.53 -0.20 0.00 -1.41 0.00 0.00 57.07 58.11 1vsa s TYR 70 Cb -0.59 -3.11 0.12 0.00 -1.10 0.00 0.00 41.96 37.28 1vsa s TYR 70 CO 0.36 -1.49 1.07 0.08 -2.51 0.00 0.00 175.55 173.06 1vsa s VAL 71 N -2.40 4.64 0.00 -3.49 1.01 0.93 -2.35 120.40 118.73 1vsa s VAL 71 Ca 0.66 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1vsa s VAL 71 Cb -0.19 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1vsa s VAL 71 CO 0.41 -1.48 0.68 0.29 0.00 0.00 0.00 175.10 174.99 1vsa n LYS 72 N 6.80 0.00 -3.59 2.72 5.02 0.01 -1.95 118.16 127.17 1vsa n LYS 72 Ca 0.16 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1vsa n LYS 72 Cb 0.48 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1vsa n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vsa n ALA 73 N -1.26 0.00 -3.95 7.82 0.00 -0.74 -3.74 120.51 118.64 1vsa n ALA 73 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1vsa n ALA 73 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1vsa n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 74 N 0.00 0.49 -3.73 0.00 0.00 -1.26 -2.45 120.51 113.57 1vsa n ALA 74 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 53.44 51.70 1vsa n ALA 74 Cb 0.00 1.10 -0.08 0.00 0.00 0.00 0.00 19.45 20.47 1vsa n ALA 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1vsa s TYR 75 N -2.91 3.77 -0.55 0.00 6.14 -1.19 -4.75 117.35 117.86 1vsa s TYR 75 Ca 0.26 -3.12 -0.36 0.00 0.64 0.00 0.00 57.07 54.48 1vsa s TYR 75 Cb 0.01 -3.07 -0.16 0.00 0.42 0.00 0.00 41.96 39.17 1vsa s TYR 75 CO 0.18 -0.68 2.30 1.33 0.64 0.00 0.00 175.55 179.32 1vsa n VAL 76 N 2.28 0.06 -3.83 3.14 0.24 -1.26 -3.74 118.33 115.22 1vsa n VAL 76 Ca 0.20 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1vsa n VAL 76 Cb 0.36 -1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 31.58 1vsa n VAL 76 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vsa s ASP 77 N 7.65 -0.24 0.41 -1.34 -1.08 -1.16 -4.98 116.67 115.93 1vsa s ASP 77 Ca 1.18 -0.61 0.04 0.00 -0.52 0.00 0.00 52.55 52.63 1vsa s ASP 77 Cb -1.10 0.64 0.04 0.00 -1.46 0.00 0.00 42.92 41.04 1vsa s ASP 77 CO 0.53 -1.19 0.29 -0.62 0.52 0.00 0.00 175.17 174.70 1vsa n GLU 78 N -0.40 0.89 0.00 4.34 1.02 -1.26 -2.26 120.64 122.97 1vsa n GLU 78 Ca -0.06 -2.58 0.00 0.00 -0.02 0.00 0.00 57.16 54.50 1vsa n GLU 78 Cb 0.61 0.30 0.00 0.00 -0.02 0.00 0.00 31.44 32.33 1vsa n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsa n GLY 79 N 0.07 5.43 0.00 0.62 0.00 -1.15 -4.09 105.19 106.06 1vsa n GLY 79 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1vsa n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vsa n PRO 80 N 0.00 0.31 -3.98 1.61 -0.04 -1.26 -4.58 135.00 127.06 1vsa n PRO 80 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1vsa n PRO 80 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1vsa n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vsa s ALA 81 N -3.72 -0.31 -0.10 0.55 0.00 -1.25 -0.44 121.76 116.48 1vsa s ALA 81 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1vsa s ALA 81 Cb 0.00 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.16 1vsa s ALA 81 CO 0.00 -0.88 -0.10 -1.17 0.00 0.00 0.00 175.76 173.60 1vsa s LEU 82 N -3.03 1.43 0.28 0.00 1.98 -1.18 -4.86 118.68 113.30 1vsa s LEU 82 Ca 0.21 -0.32 -0.28 0.00 -2.89 0.00 0.00 54.13 50.85 1vsa s LEU 82 Cb -0.02 -0.87 -0.09 0.00 0.66 0.00 0.00 46.19 45.87 1vsa s LEU 82 CO 0.10 -0.05 1.00 -1.59 -1.89 0.00 0.00 176.35 173.92 1vsa s LYS 83 N 1.25 4.67 -0.30 1.98 -2.85 -1.26 -2.33 119.74 120.90 1vsa s LYS 83 Ca -0.03 1.55 -0.15 0.00 -1.00 0.00 0.00 55.97 56.33 1vsa s LYS 83 Cb -0.14 -3.08 0.16 0.00 -2.06 0.00 0.00 37.83 32.71 1vsa s LYS 83 CO -0.04 0.32 0.98 1.03 0.10 0.00 0.00 175.35 177.74 1vsa s ARG 84 N -1.57 0.32 0.43 1.78 0.52 -0.56 -4.93 118.95 114.94 1vsa s ARG 84 Ca 0.46 0.72 -0.06 0.00 -0.52 0.00 0.00 55.73 56.32 1vsa s ARG 84 Cb -0.26 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 1vsa s ARG 84 CO 0.32 -0.10 0.74 0.08 0.02 0.00 0.00 175.30 176.37 1vsa s VAL 85 N 2.12 4.90 -0.22 3.52 1.01 -1.26 -2.88 120.40 127.58 1vsa s VAL 85 Ca -0.05 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1vsa s VAL 85 Cb -0.05 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1vsa s VAL 85 CO -0.17 -0.67 -0.00 -0.22 0.00 0.00 0.00 175.10 174.04 1vsa s LEU 86 N -4.30 3.11 0.00 3.92 1.98 1.58 -4.92 118.68 120.04 1vsa s LEU 86 Ca 0.48 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 51.41 1vsa s LEU 86 Cb -0.10 -1.81 0.00 0.00 0.66 0.00 0.00 46.19 44.94 1vsa s LEU 86 CO 0.38 -0.01 0.00 -2.65 -1.89 0.00 0.00 176.35 172.18 1vsa n PRO 87 N 4.74 -0.51 -3.87 0.98 -0.02 -1.26 -3.01 135.00 132.04 1vsa n PRO 87 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1vsa n PRO 87 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1vsa n PRO 87 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1vsa n ARG 88 N -1.16 -0.97 -2.29 -0.52 0.00 -1.26 -4.62 116.66 105.84 1vsa n ARG 88 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1vsa n ARG 88 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 1vsa n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vsa s ALA 89 N -1.00 3.54 -1.41 2.89 0.00 -1.26 -3.34 121.76 121.18 1vsa s ALA 89 Ca 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 1vsa s ALA 89 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1vsa s ALA 89 CO 0.00 -0.78 1.05 0.54 0.00 0.00 0.00 175.76 176.57 1vsa n ARG 90 N 4.95 -6.63 -3.90 0.00 1.74 -1.26 -3.30 116.66 108.26 1vsa n ARG 90 Ca 0.12 0.72 -0.34 0.00 -0.77 0.00 0.00 57.85 57.58 1vsa n ARG 90 Cb 0.44 -5.66 0.01 0.00 -1.02 0.00 0.00 32.46 26.23 1vsa n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vsa n GLY 91 N -1.77 -0.86 0.00 -0.13 0.00 -1.21 -4.95 105.19 96.27 1vsa n GLY 91 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1vsa n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 92 N -3.77 1.90 -3.46 1.61 5.12 -1.21 -5.01 116.66 111.85 1vsa n ARG 92 Ca -0.16 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.38 1vsa n ARG 92 Cb 0.52 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.78 1vsa n ARG 92 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vsa n ALA 93 N -3.00 4.14 -3.46 7.54 0.00 -1.26 -4.87 120.51 119.60 1vsa n ALA 93 Ca 0.00 -4.66 -0.43 0.00 0.00 0.00 0.00 53.44 48.34 1vsa n ALA 93 Cb 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 1vsa n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vsa s ASP 94 N -0.38 6.02 0.26 0.00 -0.00 -1.16 -5.03 116.67 116.37 1vsa s ASP 94 Ca 0.30 -2.17 0.09 0.00 -0.00 0.00 0.00 52.55 50.78 1vsa s ASP 94 Cb -0.03 -2.09 -0.05 0.00 -0.00 0.00 0.00 42.92 40.74 1vsa s ASP 94 CO -0.07 -0.67 -0.14 -0.63 -0.00 0.00 0.00 175.17 173.66 1vsa s ILE 95 N 0.99 2.04 -1.14 0.77 1.01 -1.26 0.45 121.20 124.05 1vsa s ILE 95 Ca 0.09 -2.26 0.00 0.00 0.00 0.00 0.00 60.65 58.48 1vsa s ILE 95 Cb -0.23 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1vsa s ILE 95 CO -0.02 -0.42 0.00 2.30 0.00 0.00 0.00 174.94 176.80 1vsa n ILE 96 N -0.56 0.00 0.00 2.92 -5.35 -1.14 -4.84 119.36 110.39 1vsa n ILE 96 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1vsa n ILE 96 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1vsa n ILE 96 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1vsa n LYS 97 N 0.00 0.00 -3.15 6.28 -0.00 -1.26 -1.49 118.16 118.54 1vsa n LYS 97 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1vsa n LYS 97 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 1vsa n LYS 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1vsa s LYS 98 N 3.19 0.18 -0.08 -1.58 2.20 -0.99 -4.76 119.74 117.90 1vsa s LYS 98 Ca 0.00 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.58 1vsa s LYS 98 Cb 0.00 0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.40 1vsa s LYS 98 CO 0.00 -0.24 1.76 1.03 -0.36 0.00 0.00 175.35 177.54 1vsa s ARG 99 N 2.95 4.01 0.00 4.03 0.52 -1.26 -3.13 118.95 126.08 1vsa s ARG 99 Ca 0.08 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1vsa s ARG 99 Cb -0.07 -4.07 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1vsa s ARG 99 CO -0.15 -1.06 0.00 0.25 0.02 0.00 0.00 175.30 174.36 1vsa n THR 100 N 5.86 0.00 -4.32 0.02 -2.24 0.41 -2.84 114.28 111.18 1vsa n THR 100 Ca 0.19 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.81 1vsa n THR 100 Cb 0.43 -1.77 -0.10 0.00 -2.10 0.00 0.00 70.33 66.79 1vsa n THR 100 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vsa s SER 101 N -1.00 1.19 0.31 3.42 0.01 -1.09 -2.94 113.70 113.60 1vsa s SER 101 Ca 0.00 -1.39 -0.16 0.00 1.31 0.00 0.00 55.95 55.70 1vsa s SER 101 Cb 0.00 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.44 1vsa s SER 101 CO 0.00 -0.74 0.68 -1.00 0.41 0.00 0.00 173.24 172.59 1vsa s HIS 102 N -3.76 0.10 0.00 2.43 3.76 -0.96 -2.53 115.29 114.34 1vsa s HIS 102 Ca 0.38 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1vsa s HIS 102 Cb 0.08 0.60 0.00 0.00 1.11 0.00 0.00 32.58 34.37 1vsa s HIS 102 CO 0.14 -1.30 0.00 1.51 -0.85 0.00 0.00 174.74 174.24 1vsa n ILE 103 N -0.48 0.00 -4.31 0.60 3.06 -0.22 -2.99 119.36 115.03 1vsa n ILE 103 Ca -0.05 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 59.97 1vsa n ILE 103 Cb 0.60 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.70 1vsa n ILE 103 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1vsa s THR 104 N -2.00 3.08 -0.25 9.51 2.01 -1.25 -2.28 115.64 124.46 1vsa s THR 104 Ca 0.00 -1.97 -0.01 0.00 0.31 0.00 0.00 61.69 60.02 1vsa s THR 104 Cb 0.00 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1vsa s THR 104 CO 0.00 -0.32 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.86 1vsa s VAL 105 N -2.41 2.80 -0.20 3.82 1.01 -1.26 -3.17 120.40 120.99 1vsa s VAL 105 Ca 0.33 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1vsa s VAL 105 Cb -0.04 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.97 1vsa s VAL 105 CO 0.19 0.19 0.50 0.27 0.00 0.00 0.00 175.10 176.25 1vsa s ILE 106 N 1.31 -0.01 0.28 2.22 -4.36 -1.03 -1.07 121.20 118.54 1vsa s ILE 106 Ca -0.00 0.05 0.04 0.00 -0.26 0.00 0.00 60.65 60.47 1vsa s ILE 106 Cb -0.17 -0.72 -0.01 0.00 1.25 0.00 0.00 42.46 42.80 1vsa s ILE 106 CO -0.05 0.02 0.13 0.18 0.24 0.00 0.00 174.94 175.46 1vsa n LEU 107 N 3.97 0.00 0.00 0.37 4.77 -0.94 -0.81 117.00 124.36 1vsa n LEU 107 Ca -0.20 -2.29 -0.07 0.00 -0.03 0.00 0.00 56.01 53.42 1vsa n LEU 107 Cb 0.56 0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 42.50 1vsa n LEU 107 CO 0.06 -0.36 0.06 0.61 -1.33 0.00 0.00 177.39 176.43 1vsa n GLY 108 N -0.08 2.81 3.55 -0.72 0.00 -0.99 -4.14 105.19 105.62 1vsa n GLY 108 Ca -0.02 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1vsa n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vsa s GLU 109 N -2.38 3.81 0.00 1.61 2.02 -1.26 -3.05 118.70 119.44 1vsa s GLU 109 Ca 0.13 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1vsa s GLU 109 Cb -0.00 -5.38 0.00 0.00 0.10 0.00 0.00 34.13 28.85 1vsa s GLU 109 CO 0.10 -2.16 0.00 1.17 0.02 0.00 0.00 175.26 174.39