#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LYS 11 N 0.00 0.00 -4.14 -0.78 4.76 -1.26 -5.09 118.16 111.65 1vsa n LYS 11 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1vsa n LYS 11 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1vsa n LYS 11 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1vsa s ASN 12 N -2.21 1.04 0.40 4.39 -0.87 -1.26 -5.16 114.94 111.27 1vsa s ASN 12 Ca 0.00 -0.45 -0.08 0.00 -1.57 0.00 0.00 52.86 50.75 1vsa s ASN 12 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.25 41.16 1vsa s ASN 12 CO 0.00 -0.10 0.73 -0.83 -2.57 0.00 0.00 177.10 174.34 1vsa s GLY 13 N -1.24 1.83 0.52 0.66 0.00 -1.26 -5.10 107.32 102.72 1vsa s GLY 13 Ca -0.05 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.38 1vsa s GLY 13 CO 0.01 -0.17 0.38 0.54 0.00 0.00 0.00 173.10 173.86 1vsa n ARG 14 N -1.45 0.73 0.00 2.90 5.12 -1.26 -5.14 116.66 117.56 1vsa n ARG 14 Ca 0.01 -3.25 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 1vsa n ARG 14 Cb 0.54 0.36 0.00 0.00 -1.16 0.00 0.00 32.46 32.20 1vsa n ARG 14 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1vsa n ASP 15 N -1.83 0.00 0.00 0.55 4.64 -1.26 -5.13 116.55 113.53 1vsa n ASP 15 Ca -0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.39 1vsa n ASP 15 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.67 1vsa n ASP 15 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1vsa n SER 16 N 0.00 0.00 -0.94 1.67 2.88 -1.26 -4.70 113.62 111.27 1vsa n SER 16 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1vsa n SER 16 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1vsa n SER 16 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1vsa n GLN 17 N 0.00 -0.68 -1.69 -1.46 -0.06 -1.26 0.70 117.38 112.93 1vsa n GLN 17 Ca 0.00 0.48 -0.00 0.00 -2.00 0.00 0.00 57.00 55.47 1vsa n GLN 17 Cb 0.00 -4.44 -0.00 0.00 -4.06 0.00 0.00 30.24 21.74 1vsa n GLN 17 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vsa n ALA 18 N -1.04 -3.09 -3.28 1.69 0.00 -1.26 -4.59 120.51 108.93 1vsa n ALA 18 Ca -0.10 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1vsa n ALA 18 Cb 0.54 -0.27 0.08 0.00 0.00 0.00 0.00 19.45 19.80 1vsa n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vsa n LYS 19 N 0.14 -5.55 -2.01 0.00 5.02 -1.26 -4.54 118.16 109.96 1vsa n LYS 19 Ca -0.01 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1vsa n LYS 19 Cb 0.02 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.45 1vsa n LYS 19 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vsa n ARG 20 N -3.77 -1.74 0.00 1.97 1.74 0.66 -4.79 116.66 110.73 1vsa n ARG 20 Ca -0.24 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1vsa n ARG 20 Cb 0.65 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1vsa n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vsa n LEU 21 N 1.88 0.00 -3.15 0.55 4.77 0.22 -4.86 117.00 116.41 1vsa n LEU 21 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1vsa n LEU 21 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1vsa n LEU 21 CO 0.00 -1.01 0.74 -0.83 -1.33 0.00 0.00 177.39 174.96 1vsa s GLY 22 N -4.31 -0.10 -0.88 -0.72 0.00 -1.17 -4.65 107.32 95.49 1vsa s GLY 22 Ca 0.00 3.11 -0.02 0.00 0.00 0.00 0.00 44.72 47.81 1vsa s GLY 22 CO 0.00 3.91 2.14 -0.62 0.00 0.00 0.00 173.10 178.53 1vsa n VAL 23 N 5.43 4.42 -1.37 1.40 0.31 -1.26 0.10 118.33 127.37 1vsa n VAL 23 Ca -0.09 -4.55 -0.38 0.00 -0.01 0.00 0.00 64.34 59.32 1vsa n VAL 23 Cb 0.55 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 1vsa n VAL 23 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1vsa n LYS 24 N 0.06 3.71 -3.66 5.55 0.00 -1.07 -4.83 118.16 117.92 1vsa n LYS 24 Ca 0.52 -2.27 -0.10 0.00 -0.00 0.00 0.00 58.31 56.45 1vsa n LYS 24 Cb 0.30 -2.74 -0.08 0.00 -0.00 0.00 0.00 35.03 32.50 1vsa n LYS 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1vsa s ARG 25 N 1.75 0.64 0.29 -1.58 1.81 -1.26 -4.82 118.95 115.77 1vsa s ARG 25 Ca 0.68 0.98 0.07 0.00 -1.72 0.00 0.00 55.73 55.74 1vsa s ARG 25 Cb 0.19 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.85 1vsa s ARG 25 CO -0.06 -0.13 0.26 1.52 -0.68 0.00 0.00 175.30 176.22 1vsa s TYR 26 N 1.05 3.04 -0.09 -0.53 -0.85 -1.26 -4.97 117.35 113.74 1vsa s TYR 26 Ca -0.06 -0.19 -0.16 0.00 -0.52 0.00 0.00 57.07 56.14 1vsa s TYR 26 Cb -0.05 -1.61 -0.07 0.00 0.38 0.00 0.00 41.96 40.60 1vsa s TYR 26 CO -0.10 0.34 0.48 -1.91 -1.52 0.00 0.00 175.55 172.84 1vsa n GLU 27 N -1.30 0.00 -3.42 -3.49 4.07 -1.26 0.69 120.64 115.93 1vsa n GLU 27 Ca -0.05 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.83 1vsa n GLU 27 Cb 0.59 -0.54 -0.04 0.00 -0.06 0.00 0.00 31.44 31.39 1vsa n GLU 27 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vsa n GLY 28 N 0.97 -0.40 3.39 8.31 0.00 0.11 -4.87 105.19 112.70 1vsa n GLY 28 Ca 0.09 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1vsa n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vsa n GLN 29 N -3.09 -2.68 0.00 1.61 -0.06 0.22 -3.58 117.38 109.79 1vsa n GLN 29 Ca 0.06 -0.76 0.00 0.00 -2.00 0.00 0.00 57.00 54.30 1vsa n GLN 29 Cb 0.42 -2.02 0.00 0.00 -4.06 0.00 0.00 30.24 24.58 1vsa n GLN 29 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1vsa n VAL 30 N -5.01 0.00 0.00 1.69 3.14 -1.26 -2.13 118.33 114.76 1vsa n VAL 30 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1vsa n VAL 30 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1vsa n VAL 30 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1vsa n VAL 31 N 0.00 0.00 -2.65 1.55 3.14 -1.17 -4.32 118.33 114.88 1vsa n VAL 31 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1vsa n VAL 31 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1vsa n VAL 31 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1vsa n ARG 32 N 0.00 3.34 0.00 1.45 0.63 -1.26 -3.02 116.66 117.80 1vsa n ARG 32 Ca 0.00 -4.63 0.00 0.00 -0.92 0.00 0.00 57.85 52.30 1vsa n ARG 32 Cb 0.00 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 30.67 1vsa n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vsa n ALA 33 N -0.39 0.00 -1.65 5.13 0.00 -0.90 -4.09 120.51 118.61 1vsa n ALA 33 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.83 1vsa n ALA 33 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 1vsa n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 34 N 0.00 1.61 3.41 0.00 0.00 -1.05 -4.33 105.19 104.83 1vsa n GLY 34 Ca 0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1vsa n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vsa s ASN 35 N -1.48 6.38 -0.20 1.61 0.02 -1.26 -4.86 114.94 115.15 1vsa s ASN 35 Ca 0.09 -1.66 -0.35 0.00 -1.02 0.00 0.00 52.86 49.92 1vsa s ASN 35 Cb 0.08 -2.35 -0.12 0.00 0.02 0.00 0.00 41.25 38.88 1vsa s ASN 35 CO 0.01 -1.12 1.98 -0.38 0.02 0.00 0.00 177.10 177.61 1vsa n ILE 36 N 5.45 0.41 0.00 0.60 -0.00 -1.26 0.88 119.36 125.44 1vsa n ILE 36 Ca 0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1vsa n ILE 36 Cb 0.46 -1.78 0.00 0.00 -0.00 0.00 0.00 39.64 38.32 1vsa n ILE 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1vsa n LEU 37 N 7.81 1.42 -3.76 1.39 -0.00 -0.33 -4.86 117.00 118.66 1vsa n LEU 37 Ca 0.29 0.18 -0.18 0.00 -0.00 0.00 0.00 56.01 56.30 1vsa n LEU 37 Cb 0.26 -0.22 -0.17 0.00 -0.00 0.00 0.00 43.42 43.30 1vsa n LEU 37 CO 0.75 -0.22 -0.36 -0.69 -0.00 0.00 0.00 177.39 176.87 1vsa s VAL 38 N -0.43 0.09 -0.29 1.47 1.01 -0.71 -2.59 120.40 118.95 1vsa s VAL 38 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1vsa s VAL 38 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1vsa s VAL 38 CO 0.00 0.16 0.65 -0.60 0.00 0.00 0.00 175.10 175.32 1vsa s ARG 39 N 1.49 3.96 0.00 2.72 6.06 0.29 -2.94 118.95 130.52 1vsa s ARG 39 Ca -0.03 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.60 1vsa s ARG 39 Cb -0.13 -3.71 0.00 0.00 0.06 0.00 0.00 34.95 31.17 1vsa s ARG 39 CO -0.03 -0.55 0.00 0.94 -2.50 0.00 0.00 175.30 173.16 1vsa n GLN 40 N 5.89 0.00 0.00 5.12 0.00 -1.26 -3.03 117.38 124.10 1vsa n GLN 40 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1vsa n GLN 40 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.73 1vsa n GLN 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1vsa n ARG 41 N 0.00 0.00 0.00 3.69 0.00 -1.26 -4.10 116.66 114.99 1vsa n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vsa n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vsa n GLY 42 N -0.99 -2.54 3.24 5.14 0.00 -1.26 -4.81 105.19 103.97 1vsa n GLY 42 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1vsa n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vsa s THR 43 N -2.44 0.09 0.00 2.61 2.01 -1.26 -5.14 115.64 111.51 1vsa s THR 43 Ca 0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1vsa s THR 43 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1vsa s THR 43 CO 0.00 -0.41 0.00 -1.14 -0.69 0.00 0.00 174.62 172.38 1vsa n ARG 44 N 0.56 0.00 -3.04 4.92 3.00 -1.26 -5.10 116.66 115.73 1vsa n ARG 44 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.36 1vsa n ARG 44 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.01 1vsa n ARG 44 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1vsa s PHE 45 N -0.46 3.44 -0.04 -0.14 0.40 -0.43 -3.68 117.98 117.06 1vsa s PHE 45 Ca 0.00 1.03 0.06 0.00 -0.60 0.00 0.00 56.93 57.42 1vsa s PHE 45 Cb 0.00 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 1vsa s PHE 45 CO 0.00 0.02 -0.21 0.15 0.70 0.00 0.00 175.22 175.87 1vsa s LYS 46 N -3.47 2.08 0.00 0.44 3.01 -1.17 -4.89 119.74 115.74 1vsa s LYS 46 Ca 0.51 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.70 1vsa s LYS 46 Cb -0.10 -1.83 0.00 0.00 -1.01 0.00 0.00 37.83 34.88 1vsa s LYS 46 CO 0.26 0.36 0.11 -0.35 0.51 0.00 0.00 175.35 176.24 1vsa n PRO 47 N 2.91 0.00 -0.36 -1.68 -0.04 -1.26 -3.73 135.00 130.85 1vsa n PRO 47 Ca -0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1vsa n PRO 47 Cb 0.52 -0.78 0.08 0.00 -0.04 0.00 0.00 33.50 33.29 1vsa n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsa n GLY 48 N 2.17 -1.83 3.61 0.55 0.00 0.19 -4.66 105.19 105.22 1vsa n GLY 48 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 46.02 47.02 1vsa n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa s LYS 49 N -6.05 0.97 0.00 1.61 1.02 -1.06 -4.80 119.74 111.43 1vsa s LYS 49 Ca -0.14 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1vsa s LYS 49 Cb 0.23 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.92 1vsa s LYS 49 CO 0.72 -0.43 0.00 0.09 -0.92 0.00 0.00 175.35 174.81 1vsa n ASN 50 N -0.35 0.00 -4.75 2.83 4.13 -1.26 -3.01 115.26 112.85 1vsa n ASN 50 Ca -0.08 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.77 1vsa n ASN 50 Cb 0.61 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 38.19 1vsa n ASN 50 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1vsa s VAL 51 N -0.32 2.37 -0.83 2.41 1.01 -1.26 -2.14 120.40 121.64 1vsa s VAL 51 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1vsa s VAL 51 Cb 0.00 -3.20 0.21 0.00 0.00 0.00 0.00 36.38 33.39 1vsa s VAL 51 CO 0.00 0.05 0.70 0.61 0.00 0.00 0.00 175.10 176.46 1vsa n GLY 52 N 2.26 4.16 1.56 4.51 0.00 -0.94 -4.62 105.19 112.12 1vsa n GLY 52 Ca 0.08 -2.61 -0.15 0.00 0.00 0.00 0.00 46.02 43.34 1vsa n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1vsa n MET 53 N 2.06 -3.37 0.00 1.61 1.56 -1.26 0.92 117.12 118.64 1vsa n MET 53 Ca 0.22 -0.72 0.00 0.00 -0.27 0.00 0.00 57.70 56.93 1vsa n MET 53 Cb 0.36 -0.92 0.00 0.00 2.15 0.00 0.00 33.22 34.81 1vsa n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1vsa n GLY 54 N -2.76 1.08 2.97 -5.12 0.00 -1.14 -4.52 105.19 95.70 1vsa n GLY 54 Ca 0.07 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1vsa n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 55 N -0.00 0.00 -3.42 1.61 1.74 -1.26 -0.97 116.66 114.35 1vsa n ARG 55 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1vsa n ARG 55 Cb 0.00 -0.91 0.06 0.00 -1.02 0.00 0.00 32.46 30.59 1vsa n ARG 55 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1vsa n ASP 56 N 2.20 -6.03 0.00 0.55 10.43 -1.26 -2.94 116.55 119.50 1vsa n ASP 56 Ca 0.09 -0.47 0.00 0.00 2.57 0.00 0.00 54.79 56.97 1vsa n ASP 56 Cb 0.40 -4.80 0.00 0.00 1.84 0.00 0.00 41.12 38.55 1vsa n ASP 56 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1vsa n PHE 57 N -4.77 0.00 0.00 1.24 3.01 -0.14 -4.45 117.46 112.35 1vsa n PHE 57 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1vsa n PHE 57 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1vsa n PHE 57 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1vsa n THR 58 N 0.00 0.00 -3.07 4.37 -1.04 -1.07 -3.14 114.28 110.34 1vsa n THR 58 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1vsa n THR 58 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1vsa n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1vsa s LEU 59 N 0.00 3.93 0.00 -4.42 1.02 -1.15 -2.86 118.68 115.20 1vsa s LEU 59 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 54.13 55.10 1vsa s LEU 59 Cb 0.00 -3.80 0.00 0.00 0.02 0.00 0.00 46.19 42.41 1vsa s LEU 59 CO 0.00 -0.31 0.00 2.22 0.02 0.00 0.00 176.35 178.28 1vsa n PHE 60 N -1.14 -0.76 -1.85 0.29 -1.74 0.26 -1.19 117.46 111.34 1vsa n PHE 60 Ca 0.01 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 1vsa n PHE 60 Cb 0.54 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.51 1vsa n PHE 60 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1vsa s ALA 61 N -1.18 3.66 0.00 1.98 0.00 0.25 -2.22 121.76 124.25 1vsa s ALA 61 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1vsa s ALA 61 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1vsa s ALA 61 CO 0.00 -1.30 0.00 -0.11 0.00 0.00 0.00 175.76 174.35 1vsa n LEU 62 N 6.39 0.00 0.00 0.00 -0.00 -1.17 -2.54 117.00 119.68 1vsa n LEU 62 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1vsa n LEU 62 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1vsa n LEU 62 CO 0.64 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.55 1vsa n VAL 63 N 0.00 0.00 0.00 1.96 0.31 -0.91 -2.11 118.33 117.58 1vsa n VAL 63 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vsa n VAL 63 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1vsa n VAL 63 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vsa n ASP 64 N -1.84 0.00 0.00 4.52 9.92 -1.25 -4.81 116.55 123.09 1vsa n ASP 64 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1vsa n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1vsa n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vsa n GLY 65 N 0.00 3.14 2.92 0.44 0.00 -1.17 -4.92 105.19 105.61 1vsa n GLY 65 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1vsa n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsa s VAL 66 N 2.13 -0.10 0.21 1.61 -7.23 -1.14 -3.03 120.40 112.86 1vsa s VAL 66 Ca 0.00 0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 60.08 1vsa s VAL 66 Cb 0.00 -0.27 -0.10 0.00 0.56 0.00 0.00 36.38 36.57 1vsa s VAL 66 CO 0.00 0.09 1.56 0.54 -0.31 0.00 0.00 175.10 176.98 1vsa s VAL 67 N 1.43 2.48 -1.25 1.32 0.11 -0.91 0.12 120.40 123.71 1vsa s VAL 67 Ca -0.07 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 59.20 1vsa s VAL 67 Cb -0.12 -3.23 0.14 0.00 -1.53 0.00 0.00 36.38 31.64 1vsa s VAL 67 CO -0.06 0.04 1.56 1.21 -3.33 0.00 0.00 175.10 174.52 1vsa n GLU 68 N 3.28 3.33 -0.29 1.54 4.07 -1.26 0.08 120.64 131.38 1vsa n GLU 68 Ca 0.11 -3.65 -0.05 0.00 -0.06 0.00 0.00 57.16 53.51 1vsa n GLU 68 Cb 0.38 -3.16 -0.04 0.00 -0.06 0.00 0.00 31.44 28.56 1vsa n GLU 68 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1vsa n PHE 69 N 6.28 0.12 -4.62 4.31 -0.00 -1.26 -2.92 117.46 119.37 1vsa n PHE 69 Ca 0.41 -0.55 -0.28 0.00 -0.00 0.00 0.00 57.45 57.02 1vsa n PHE 69 Cb 0.43 -0.80 -0.10 0.00 -0.00 0.00 0.00 39.48 39.01 1vsa n PHE 69 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1vsa s GLN 70 N 2.77 1.96 -0.04 -4.13 2.00 -0.91 -4.88 119.66 116.43 1vsa s GLN 70 Ca 0.18 -2.14 -0.02 0.00 -2.00 0.00 0.00 55.36 51.38 1vsa s GLN 70 Cb 0.08 -1.49 0.03 0.00 0.80 0.00 0.00 33.01 32.43 1vsa s GLN 70 CO -0.00 -0.14 0.06 0.16 -0.50 0.00 0.00 175.29 174.87 1vsa s ASP 71 N -3.71 1.01 -0.31 6.67 1.47 -1.26 0.42 116.67 120.96 1vsa s ASP 71 Ca 0.29 0.09 -0.28 0.00 1.18 0.00 0.00 52.55 53.84 1vsa s ASP 71 Cb 0.08 -0.11 -0.04 0.00 -0.34 0.00 0.00 42.92 42.51 1vsa s ASP 71 CO 0.15 -0.24 2.07 -0.13 0.68 0.00 0.00 175.17 177.70 1vsa s ARG 72 N 2.06 3.06 0.00 2.11 1.81 -0.72 -4.81 118.95 122.46 1vsa s ARG 72 Ca 0.03 1.66 0.00 0.00 -1.72 0.00 0.00 55.73 55.70 1vsa s ARG 72 Cb -0.12 -4.33 0.00 0.00 -0.45 0.00 0.00 34.95 30.05 1vsa s ARG 72 CO -0.03 -2.19 0.00 0.41 -0.68 0.00 0.00 175.30 172.81 1vsa n GLY 73 N 5.66 1.78 0.09 -3.53 0.00 -1.26 -2.81 105.19 105.12 1vsa n GLY 73 Ca 0.28 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 1vsa n GLY 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vsa n ARG 74 N 10.54 0.66 -0.36 1.61 0.00 -1.26 -4.34 116.66 123.51 1vsa n ARG 74 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 57.85 58.04 1vsa n ARG 74 Cb 0.00 -1.66 0.22 0.00 0.00 0.00 0.00 32.46 31.02 1vsa n ARG 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1vsa h LEU 75 N 0.00 0.96 0.00 6.15 7.12 -1.94 -3.46 115.31 124.14 1vsa h LEU 75 Ca -0.39 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1vsa h LEU 75 Cb 2.06 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 42.02 1vsa h LEU 75 CO 0.05 0.56 0.00 0.61 -0.13 0.00 0.00 178.44 179.53 1vsa n GLY 76 N -1.36 0.84 3.07 3.75 0.00 -1.13 -5.07 105.19 105.29 1vsa n GLY 76 Ca 0.17 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1vsa n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsa s ARG 77 N -1.89 2.65 0.12 1.61 0.52 -1.24 -1.76 118.95 118.96 1vsa s ARG 77 Ca 0.00 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 1vsa s ARG 77 Cb 0.00 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1vsa s ARG 77 CO 0.00 -0.21 -0.10 0.71 0.02 0.00 0.00 175.30 175.72 1vsa s TYR 78 N 1.35 1.18 -0.23 -0.53 1.51 0.17 -1.32 117.35 119.48 1vsa s TYR 78 Ca 0.04 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1vsa s TYR 78 Cb -0.13 -0.62 0.07 0.00 -0.11 0.00 0.00 41.96 41.17 1vsa s TYR 78 CO -0.11 0.04 0.02 0.14 -1.11 0.00 0.00 175.55 174.53 1vsa s VAL 79 N -2.97 0.90 -0.05 0.71 -7.23 -1.15 -2.14 120.40 108.47 1vsa s VAL 79 Ca 0.12 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1vsa s VAL 79 Cb 0.00 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.59 1vsa s VAL 79 CO 0.00 -0.28 1.69 1.41 -0.31 0.00 0.00 175.10 177.61 1vsa n HIS 80 N 4.89 0.27 0.00 2.82 8.25 -1.25 0.54 115.22 130.74 1vsa n HIS 80 Ca -0.08 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 1vsa n HIS 80 Cb 0.45 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1vsa n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1vsa n VAL 81 N 0.98 0.00 -1.91 1.59 0.31 -1.16 -4.38 118.33 113.75 1vsa n VAL 81 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 1vsa n VAL 81 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 1vsa n VAL 81 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1vsa s ARG 82 N 0.00 4.21 0.29 5.55 0.52 0.32 -4.11 118.95 125.72 1vsa s ARG 82 Ca 0.00 2.41 0.05 0.00 -0.52 0.00 0.00 55.73 57.67 1vsa s ARG 82 Cb 0.00 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 1vsa s ARG 82 CO 0.00 -0.55 0.43 -1.25 0.02 0.00 0.00 175.30 173.94 1vsa s PRO 83 N 0.17 3.34 0.00 3.54 0.04 -1.26 -2.87 135.00 137.96 1vsa s PRO 83 Ca 0.65 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1vsa s PRO 83 Cb -0.44 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1vsa s PRO 83 CO 0.40 0.27 0.00 -0.11 0.04 0.00 0.00 177.00 177.59 1vsa n LEU 84 N -1.55 0.00 0.00 -3.56 7.94 -1.26 -5.09 117.00 113.48 1vsa n LEU 84 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1vsa n LEU 84 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1vsa n LEU 84 CO 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.73