#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LEU 6 N 0.00 0.00 -3.15 -2.67 4.32 -1.26 -5.04 117.00 109.19 1vsa n LEU 6 Ca 0.00 -0.73 -0.36 0.00 -0.02 0.00 0.00 56.01 54.91 1vsa n LEU 6 Cb 0.00 1.25 0.01 0.00 -1.62 0.00 0.00 43.42 43.06 1vsa n LEU 6 CO 0.00 -0.24 0.99 -1.14 -1.22 0.00 0.00 177.39 175.78 1vsa n ARG 7 N -0.26 4.04 -0.80 3.23 3.00 -1.26 -4.92 116.66 119.69 1vsa n ARG 7 Ca -0.02 -4.43 -0.28 0.00 -0.00 0.00 0.00 57.85 53.12 1vsa n ARG 7 Cb 0.23 -2.34 -0.03 0.00 0.00 0.00 0.00 32.46 30.32 1vsa n ARG 7 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1vsa n PRO 8 N -0.27 1.64 -4.08 -0.14 -0.02 -1.26 -4.33 135.00 126.55 1vsa n PRO 8 Ca 0.44 -1.49 -0.27 0.00 -2.02 0.00 0.00 63.50 60.15 1vsa n PRO 8 Cb 0.34 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 1vsa n PRO 8 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1vsa n ASN 9 N 5.52 0.07 -4.58 2.55 2.85 -1.26 -4.72 115.26 115.69 1vsa n ASN 9 Ca 0.42 -1.10 -0.22 0.00 -0.11 0.00 0.00 54.58 53.57 1vsa n ASN 9 Cb 0.22 -2.54 -0.08 0.00 1.24 0.00 0.00 39.78 38.62 1vsa n ASN 9 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1vsa s PRO 10 N -6.84 1.91 0.00 1.20 0.04 -1.26 -4.78 135.00 125.26 1vsa s PRO 10 Ca 0.01 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.32 1vsa s PRO 10 Cb -0.00 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1vsa s PRO 10 CO 0.93 -4.60 0.00 0.41 0.04 0.00 0.00 177.00 173.77 1vsa n GLY 11 N 6.07 -1.66 0.00 0.56 0.00 -1.26 -5.07 105.19 103.83 1vsa n GLY 11 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1vsa n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsa n ALA 12 N -3.00 0.00 -2.28 4.61 0.00 -1.26 -5.09 120.51 113.49 1vsa n ALA 12 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1vsa n ALA 12 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1vsa n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1vsa n ASN 13 N -0.41 4.70 0.00 0.00 2.04 -1.26 -5.05 115.26 115.28 1vsa n ASN 13 Ca 0.00 -3.69 0.00 0.00 -0.44 0.00 0.00 54.58 50.45 1vsa n ASN 13 Cb 0.00 -0.41 0.00 0.00 -2.53 0.00 0.00 39.78 36.84 1vsa n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1vsa n LYS 14 N -0.58 0.00 -4.07 -3.83 5.02 -1.26 -4.99 118.16 108.45 1vsa n LYS 14 Ca 0.40 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.34 1vsa n LYS 14 Cb 0.80 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.72 1vsa n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vsa s ARG 15 N 0.00 3.74 0.00 1.97 0.52 -1.26 -4.93 118.95 118.99 1vsa s ARG 15 Ca 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1vsa s ARG 15 Cb 0.00 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1vsa s ARG 15 CO 0.00 0.41 0.00 -2.13 0.02 0.00 0.00 175.30 173.60 1vsa n ARG 16 N 3.10 0.00 -1.94 3.54 0.63 -1.26 -5.16 116.66 115.57 1vsa n ARG 16 Ca -0.17 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.74 1vsa n ARG 16 Cb 0.53 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.42 1vsa n ARG 16 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vsa n LYS 17 N -0.40 -2.65 0.00 -0.14 5.02 -1.26 -4.83 118.16 113.89 1vsa n LYS 17 Ca 0.00 2.19 0.04 0.00 -2.02 0.00 0.00 58.31 58.52 1vsa n LYS 17 Cb 0.00 -3.04 0.22 0.00 -0.02 0.00 0.00 35.03 32.19 1vsa n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vsa n ARG 18 N 0.96 0.14 -1.11 1.97 5.12 -1.26 -4.84 116.66 117.63 1vsa n ARG 18 Ca -0.14 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1vsa n ARG 18 Cb 0.21 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1vsa n ARG 18 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1vsa n VAL 19 N -1.26 0.00 -0.06 1.55 0.31 -1.26 -4.82 118.33 112.79 1vsa n VAL 19 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1vsa n VAL 19 Cb 0.06 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1vsa n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vsa n GLY 20 N -0.25 -3.06 0.00 2.92 0.00 -1.26 -5.09 105.19 98.45 1vsa n GLY 20 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1vsa n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsa n ARG 21 N -0.60 0.00 0.00 1.61 5.12 -1.26 -5.20 116.66 116.33 1vsa n ARG 21 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vsa n ARG 21 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1vsa n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vsa n GLY 22 N 2.59 2.37 0.00 -0.13 0.00 -1.26 -5.13 105.19 103.63 1vsa n GLY 22 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1vsa n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vsa n PRO 23 N -1.15 0.00 -4.51 1.61 -0.02 -1.26 -5.04 135.00 124.63 1vsa n PRO 23 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1vsa n PRO 23 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 1vsa n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1vsa s GLY 24 N 0.00 2.05 -0.01 -1.23 0.00 -1.26 -4.83 107.32 102.04 1vsa s GLY 24 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 44.72 42.43 1vsa s GLY 24 CO 0.00 -1.99 1.01 -0.45 0.00 0.00 0.00 173.10 171.67 1vsa s SER 25 N -3.56 -0.24 0.00 1.64 0.15 -1.26 -5.02 113.70 105.41 1vsa s SER 25 Ca 0.31 -0.10 0.17 0.00 0.70 0.00 0.00 55.95 57.03 1vsa s SER 25 Cb -0.00 0.33 0.27 0.00 -1.71 0.00 0.00 66.02 64.91 1vsa s SER 25 CO 0.15 -0.57 1.19 0.61 1.20 0.00 0.00 173.24 175.82 1vsa n GLY 26 N -0.29 1.25 0.00 9.45 0.00 -1.26 -4.13 105.19 110.21 1vsa n GLY 26 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1vsa n GLY 26 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1vsa n HIS 27 N 1.00 -2.93 0.00 1.61 1.44 -1.26 -4.92 115.22 110.17 1vsa n HIS 27 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 1vsa n HIS 27 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1vsa n HIS 27 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1vsa n GLY 28 N 3.30 0.00 0.62 -1.39 0.00 -1.26 -3.20 105.19 103.26 1vsa n GLY 28 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1vsa n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vsa n LYS 29 N 0.00 1.80 -1.49 1.61 4.81 -1.26 -4.99 118.16 118.64 1vsa n LYS 29 Ca 0.00 -1.25 -0.45 0.00 -0.87 0.00 0.00 58.31 55.74 1vsa n LYS 29 Cb 0.00 -1.47 -0.01 0.00 0.02 0.00 0.00 35.03 33.56 1vsa n LYS 29 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1vsa n THR 30 N 0.49 1.92 -1.20 3.15 -1.04 -1.19 -4.55 114.28 111.85 1vsa n THR 30 Ca 0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1vsa n THR 30 Cb 0.44 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1vsa n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vsa n ALA 31 N -0.13 -2.41 0.00 2.41 0.00 -1.26 -4.75 120.51 114.37 1vsa n ALA 31 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1vsa n ALA 31 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1vsa n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vsa n THR 32 N 0.19 0.00 0.08 0.00 -2.24 -1.26 -5.09 114.28 105.95 1vsa n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vsa n THR 32 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vsa n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vsa n ARG 33 N -0.02 0.00 -0.26 -0.78 1.74 -1.26 -5.15 116.66 110.93 1vsa n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1vsa n ARG 33 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1vsa n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vsa n GLY 34 N -0.90 -0.32 0.00 -0.13 0.00 -1.26 -5.12 105.19 97.46 1vsa n GLY 34 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1vsa n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1vsa n HIS 35 N 0.84 0.00 -0.00 1.61 1.44 -1.26 -5.18 115.22 112.67 1vsa n HIS 35 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1vsa n HIS 35 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1vsa n HIS 35 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vsa n LYS 36 N 0.00 -0.00 -2.42 -1.40 4.01 -1.26 -4.80 118.16 112.28 1vsa n LYS 36 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 1vsa n LYS 36 Cb 0.00 -0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.51 1vsa n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vsa n GLY 37 N -1.71 -0.46 2.69 0.72 0.00 -1.26 -4.82 105.19 100.35 1vsa n GLY 37 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1vsa n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsa n GLN 38 N -2.66 0.72 -1.92 1.61 6.02 -1.26 -5.15 117.38 114.74 1vsa n GLN 38 Ca -0.10 -1.96 -0.42 0.00 -0.01 0.00 0.00 57.00 54.51 1vsa n GLN 38 Cb 0.56 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 1vsa n GLN 38 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1vsa s LYS 39 N 0.52 4.20 0.00 -1.09 -0.14 -1.26 -4.76 119.74 117.21 1vsa s LYS 39 Ca 0.32 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.30 1vsa s LYS 39 Cb 0.18 -3.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.01 1vsa s LYS 39 CO -0.20 -0.66 0.00 0.45 -0.76 0.00 0.00 175.35 174.17 1vsa n SER 40 N 4.59 0.00 -4.57 2.83 2.88 -1.26 -5.10 113.62 112.99 1vsa n SER 40 Ca 0.15 -0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.24 1vsa n SER 40 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 1vsa n SER 40 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1vsa s ARG 41 N 0.00 3.37 0.41 -1.46 6.06 -1.26 -4.03 118.95 122.05 1vsa s ARG 41 Ca 0.00 0.28 0.05 0.00 -2.50 0.00 0.00 55.73 53.55 1vsa s ARG 41 Cb 0.00 -4.09 -0.06 0.00 0.06 0.00 0.00 34.95 30.87 1vsa s ARG 41 CO 0.00 -1.86 0.03 0.45 -2.50 0.00 0.00 175.30 171.42 1vsa s SER 42 N 3.73 3.51 0.27 -2.12 0.15 -1.26 -4.92 113.70 113.06 1vsa s SER 42 Ca 0.46 -1.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 1vsa s SER 42 Cb -0.09 -0.04 0.51 0.00 -1.71 0.00 0.00 66.02 64.69 1vsa s SER 42 CO 0.24 -0.62 1.81 1.23 1.20 0.00 0.00 173.24 177.09 1vsa h GLY 43 N 1.75 1.48 -4.40 9.45 0.00 -2.04 0.25 103.07 109.57 1vsa h GLY 43 Ca -0.43 -0.35 -0.65 0.00 0.00 0.00 0.00 47.33 45.91 1vsa h GLY 43 CO 0.75 0.09 0.05 0.61 0.00 0.00 0.00 176.54 178.04 1vsa n GLY 44 N -1.33 5.93 1.71 4.60 0.00 -1.26 -5.04 105.19 109.80 1vsa n GLY 44 Ca 0.17 -2.58 -0.28 0.00 0.00 0.00 0.00 46.02 43.33 1vsa n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vsa n LEU 45 N -0.63 0.32 0.00 0.99 0.00 0.89 -4.25 117.00 114.32 1vsa n LEU 45 Ca 0.49 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1vsa n LEU 45 Cb 0.60 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.56 1vsa n LEU 45 CO 0.48 -0.39 0.00 0.29 0.00 0.00 0.00 177.39 177.77 1vsa n LYS 46 N 4.01 0.00 0.00 1.96 5.02 -1.26 -4.33 118.16 123.56 1vsa n LYS 46 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1vsa n LYS 46 Cb -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1vsa n LYS 46 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vsa n ASP 47 N 0.01 0.00 -4.17 4.39 10.43 -1.26 -4.81 116.55 121.15 1vsa n ASP 47 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 1vsa n ASP 47 Cb 0.00 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 1vsa n ASP 47 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1vsa s PRO 48 N 0.00 2.31 -0.69 -0.24 0.04 -1.26 -5.16 135.00 130.00 1vsa s PRO 48 Ca 0.00 -1.44 -0.20 0.00 0.04 0.00 0.00 61.00 59.39 1vsa s PRO 48 Cb 0.00 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.27 1vsa s PRO 48 CO 0.00 -0.78 0.91 -0.98 0.04 0.00 0.00 177.00 176.19 1vsa s ARG 49 N 1.24 3.20 0.00 4.56 1.70 -1.26 -4.75 118.95 123.64 1vsa s ARG 49 Ca 0.00 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 1vsa s ARG 49 Cb -0.21 -4.38 0.00 0.00 -0.57 0.00 0.00 34.95 29.79 1vsa s ARG 49 CO -0.01 -1.71 0.00 -2.13 -1.08 0.00 0.00 175.30 170.36 1vsa n ARG 50 N 6.98 0.00 0.00 3.89 0.00 -1.26 -4.87 116.66 121.40 1vsa n ARG 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 50 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 1vsa n ARG 50 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1vsa n PHE 51 N 0.00 -1.10 0.00 -0.14 3.72 -1.26 -4.75 117.46 113.94 1vsa n PHE 51 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1vsa n PHE 51 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1vsa n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1vsa n GLU 52 N -0.12 0.00 0.00 -1.08 -0.58 -1.26 -4.91 120.64 112.70 1vsa n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vsa n GLU 52 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1vsa n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vsa n GLY 53 N 0.00 0.88 1.48 0.62 0.00 -1.26 -4.61 105.19 102.30 1vsa n GLY 53 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1vsa n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsa n GLY 54 N 0.00 0.49 2.35 -0.02 0.00 -1.26 -4.39 105.19 102.36 1vsa n GLY 54 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1vsa n GLY 54 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vsa n ARG 55 N -1.44 0.72 -0.41 1.61 1.85 -1.26 -4.94 116.66 112.79 1vsa n ARG 55 Ca -0.06 -0.88 -0.01 0.00 -1.00 0.00 0.00 57.85 55.90 1vsa n ARG 55 Cb 0.20 0.14 -0.00 0.00 -1.05 0.00 0.00 32.46 31.75 1vsa n ARG 55 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1vsa n SER 56 N -0.74 -0.96 -3.25 2.89 3.41 -1.26 -1.42 113.62 112.28 1vsa n SER 56 Ca -0.12 0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.29 1vsa n SER 56 Cb 0.72 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1vsa n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1vsa n THR 57 N -0.57 -1.10 -3.23 6.66 5.66 -1.26 -0.08 114.28 120.37 1vsa n THR 57 Ca -0.01 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.80 1vsa n THR 57 Cb 0.09 -2.02 0.05 0.00 -1.55 0.00 0.00 70.33 66.90 1vsa n THR 57 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1vsa n THR 58 N -3.97 -2.18 -1.26 1.09 -1.04 -0.51 -4.92 114.28 101.49 1vsa n THR 58 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 1vsa n THR 58 Cb 0.56 -3.37 0.17 0.00 -1.82 0.00 0.00 70.33 65.86 1vsa n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1vsa n LEU 59 N -3.90 6.62 0.00 -4.42 7.94 0.89 -4.38 117.00 119.75 1vsa n LEU 59 Ca -0.02 -3.70 0.13 0.00 -1.11 0.00 0.00 56.01 51.30 1vsa n LEU 59 Cb 0.57 -0.83 0.70 0.00 0.53 0.00 0.00 43.42 44.38 1vsa n LEU 59 CO 0.48 1.12 0.93 0.23 -1.11 0.00 0.00 177.39 179.04 1vsa n MET 60 N -1.12 0.59 0.00 1.96 2.81 -1.26 -4.79 117.12 115.31 1vsa n MET 60 Ca 0.58 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 1vsa n MET 60 Cb 1.52 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 1vsa n MET 60 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1vsa n ARG 61 N -1.14 2.19 0.00 0.03 -4.01 -1.26 -5.11 116.66 107.36 1vsa n ARG 61 Ca 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 1vsa n ARG 61 Cb 0.14 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.56 1vsa n ARG 61 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 1vsa n LEU 62 N 0.00 0.00 -4.81 2.89 -0.00 -1.26 -5.16 117.00 108.66 1vsa n LEU 62 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 1vsa n LEU 62 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1vsa n LEU 62 CO 0.00 0.00 0.28 -2.16 -0.00 0.00 0.00 177.39 175.51 1vsa s PRO 63 N -2.00 4.23 0.00 1.47 0.04 -1.26 -4.98 135.00 132.50 1vsa s PRO 63 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1vsa s PRO 63 Cb 0.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1vsa s PRO 63 CO 0.00 0.63 0.00 1.17 0.04 0.00 0.00 177.00 178.84 1vsa n LYS 64 N 1.72 0.00 -1.53 4.56 0.00 -1.26 -4.95 118.16 116.70 1vsa n LYS 64 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 57.97 1vsa n LYS 64 Cb 0.51 -0.96 -0.12 0.00 0.00 0.00 0.00 35.03 34.45 1vsa n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1vsa n ARG 65 N -2.46 0.39 -3.71 1.64 0.63 -1.26 -4.85 116.66 107.04 1vsa n ARG 65 Ca 0.00 -0.31 -0.38 0.00 -0.92 0.00 0.00 57.85 56.24 1vsa n ARG 65 Cb 0.47 -2.50 -0.12 0.00 0.45 0.00 0.00 32.46 30.76 1vsa n ARG 65 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1vsa s GLY 66 N 7.58 1.84 0.00 5.14 0.00 -1.26 -4.65 107.32 115.97 1vsa s GLY 66 Ca 1.12 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1vsa s GLY 66 CO 0.32 0.73 0.00 1.15 0.00 0.00 0.00 173.10 175.30 1vsa n MET 67 N 4.90 0.00 -2.66 2.90 0.00 -1.26 -5.15 117.12 115.85 1vsa n MET 67 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.50 1vsa n MET 67 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.67 1vsa n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1vsa n GLN 68 N 0.00 0.27 -0.99 3.17 -0.00 -1.26 -4.90 117.38 113.67 1vsa n GLN 68 Ca 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 57.00 55.78 1vsa n GLN 68 Cb 0.04 1.13 0.00 0.00 -0.00 0.00 0.00 30.24 31.41 1vsa n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vsa n GLY 69 N -0.25 0.47 0.00 2.61 0.00 -1.26 -4.99 105.19 101.77 1vsa n GLY 69 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1vsa n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vsa n GLN 70 N -2.99 0.00 0.00 1.61 -0.06 -1.26 -5.08 117.38 109.60 1vsa n GLN 70 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1vsa n GLN 70 Cb 0.00 -0.72 0.00 0.00 -4.06 0.00 0.00 30.24 25.46 1vsa n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1vsa n VAL 71 N -0.25 0.00 0.00 1.69 3.14 -1.26 -5.06 118.33 116.59 1vsa n VAL 71 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 71 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vsa n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1vsa n PRO 72 N 0.00 0.00 -2.96 1.45 -0.02 -1.26 -4.84 135.00 127.37 1vsa n PRO 72 Ca 0.00 0.69 -0.18 0.00 -2.02 0.00 0.00 63.50 61.99 1vsa n PRO 72 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1vsa n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vsa n GLY 73 N -0.96 2.42 0.00 -1.23 0.00 -1.26 -5.15 105.19 99.01 1vsa n GLY 73 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1vsa n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 74 N -1.72 3.86 -3.59 1.61 4.71 -1.26 -4.83 120.64 119.42 1vsa n GLU 74 Ca 0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.83 1vsa n GLU 74 Cb 0.48 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.81 1vsa n GLU 74 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 1vsa s ILE 75 N 2.40 5.31 -0.34 -3.67 2.07 -1.26 -5.07 121.20 120.65 1vsa s ILE 75 Ca 0.00 0.25 -0.12 0.00 -1.41 0.00 0.00 60.65 59.37 1vsa s ILE 75 Cb 0.00 -3.55 -0.01 0.00 0.13 0.00 0.00 42.46 39.03 1vsa s ILE 75 CO 0.00 0.28 0.23 -0.75 -1.91 0.00 0.00 174.94 172.79 1vsa s LYS 76 N 1.45 3.38 -0.17 3.50 2.20 -1.26 -5.06 119.74 123.79 1vsa s LYS 76 Ca 0.09 -0.71 -0.09 0.00 -0.36 0.00 0.00 55.97 54.89 1vsa s LYS 76 Cb -0.15 -3.77 0.06 0.00 -1.51 0.00 0.00 37.83 32.46 1vsa s LYS 76 CO 0.08 -0.48 0.40 1.03 -0.36 0.00 0.00 175.35 176.02 1vsa s ARG 77 N 1.69 0.38 0.79 4.03 0.52 -1.26 -5.16 118.95 119.94 1vsa s ARG 77 Ca 0.05 0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 55.90 1vsa s ARG 77 Cb -0.18 -0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 1vsa s ARG 77 CO 0.09 -0.17 0.21 -0.35 0.02 0.00 0.00 175.30 175.11 1vsa n PRO 78 N 4.35 0.09 -1.19 3.54 -0.04 -1.26 -4.81 135.00 135.68 1vsa n PRO 78 Ca -0.22 0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 1vsa n PRO 78 Cb 0.55 -1.60 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 1vsa n PRO 78 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1vsa n ARG 79 N -0.14 0.19 -3.89 0.54 0.63 -1.26 -4.80 116.66 107.92 1vsa n ARG 79 Ca 0.07 0.10 -0.30 0.00 -0.92 0.00 0.00 57.85 56.80 1vsa n ARG 79 Cb 0.51 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 31.57 1vsa n ARG 79 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1vsa s TYR 80 N -1.98 2.88 -0.18 -0.14 6.14 -1.26 -2.93 117.35 119.87 1vsa s TYR 80 Ca 0.62 -2.67 -0.00 0.00 0.64 0.00 0.00 57.07 55.66 1vsa s TYR 80 Cb -0.33 -2.46 0.05 0.00 0.42 0.00 0.00 41.96 39.63 1vsa s TYR 80 CO 0.62 -0.86 -0.05 -0.65 0.64 0.00 0.00 175.55 175.25 1vsa s GLN 81 N 0.69 1.44 0.00 4.97 1.11 -1.18 -5.02 119.66 121.67 1vsa s GLN 81 Ca 0.13 -0.61 0.00 0.00 0.01 0.00 0.00 55.36 54.89 1vsa s GLN 81 Cb -0.21 -2.14 0.00 0.00 -1.01 0.00 0.00 33.01 29.65 1vsa s GLN 81 CO -0.08 -0.48 0.00 0.41 0.01 0.00 0.00 175.29 175.15 1vsa n GLY 82 N 4.84 0.74 0.00 3.09 0.00 -1.20 0.24 105.19 112.90 1vsa n GLY 82 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1vsa n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vsa n VAL 83 N 0.00 0.00 -3.54 1.61 3.14 -1.15 -4.51 118.33 113.88 1vsa n VAL 83 Ca 0.00 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 1vsa n VAL 83 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1vsa n VAL 83 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1vsa s ASN 84 N -4.00 -0.57 -0.07 6.55 2.47 -1.21 -0.73 114.94 117.38 1vsa s ASN 84 Ca 0.00 0.63 -0.24 0.00 0.42 0.00 0.00 52.86 53.67 1vsa s ASN 84 Cb 0.00 0.48 -0.30 0.00 -1.45 0.00 0.00 41.25 39.99 1vsa s ASN 84 CO 0.00 -0.51 0.87 0.17 -3.72 0.00 0.00 177.10 173.91 1vsa h LEU 85 N 2.90 0.33 -1.65 3.21 -0.00 -1.83 -3.36 115.31 114.91 1vsa h LEU 85 Ca -0.24 -0.96 0.00 0.00 -0.00 0.00 0.00 57.88 56.68 1vsa h LEU 85 Cb 1.15 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1vsa h LEU 85 CO 0.36 1.27 0.00 0.29 -0.00 0.00 0.00 178.44 180.35 1vsa n LYS 86 N -4.27 0.00 -0.08 0.17 5.02 -1.26 -1.71 118.16 116.03 1vsa n LYS 86 Ca -0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 1vsa n LYS 86 Cb 0.72 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 34.44 1vsa n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vsa n ASP 87 N 0.75 2.37 -1.35 4.39 8.00 -1.26 -4.89 116.55 124.56 1vsa n ASP 87 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 1vsa n ASP 87 Cb 0.00 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1vsa n ASP 87 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1vsa n LEU 88 N -3.16 0.10 0.00 0.64 7.94 -0.69 -4.83 117.00 117.00 1vsa n LEU 88 Ca -0.29 -2.06 0.00 0.00 -1.11 0.00 0.00 56.01 52.55 1vsa n LEU 88 Cb 0.78 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.74 1vsa n LEU 88 CO 0.12 0.97 0.49 0.00 -1.11 0.00 0.00 177.39 177.86 1vsa n ALA 89 N 0.21 0.46 -1.00 1.96 0.00 -1.14 -3.17 120.51 117.83 1vsa n ALA 89 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1vsa n ALA 89 Cb 0.94 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1vsa n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vsa n ARG 90 N -1.21 0.00 -3.37 0.00 0.63 -1.26 -4.79 116.66 106.66 1vsa n ARG 90 Ca 0.00 0.06 -0.26 0.00 -0.92 0.00 0.00 57.85 56.73 1vsa n ARG 90 Cb 0.26 -0.65 -0.02 0.00 0.45 0.00 0.00 32.46 32.51 1vsa n ARG 90 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1vsa s PHE 91 N -0.30 3.49 0.23 -0.14 2.19 -1.19 -4.99 117.98 117.28 1vsa s PHE 91 Ca 0.00 0.45 0.00 0.00 0.33 0.00 0.00 56.93 57.71 1vsa s PHE 91 Cb 0.00 -1.97 0.00 0.00 -1.31 0.00 0.00 43.02 39.74 1vsa s PHE 91 CO 0.00 0.15 0.00 -1.91 1.83 0.00 0.00 175.22 175.29 1vsa n GLU 92 N -1.42 0.00 0.00 10.12 2.13 -1.26 -4.93 120.64 125.28 1vsa n GLU 92 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1vsa n GLU 92 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 1vsa n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vsa n GLY 93 N 0.34 0.00 3.03 8.31 0.00 -1.26 -3.02 105.19 112.58 1vsa n GLY 93 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1vsa n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vsa s GLU 94 N 0.00 0.12 -0.66 1.61 2.56 -1.26 -5.11 118.70 115.96 1vsa s GLU 94 Ca 0.00 0.06 -0.26 0.00 0.00 0.00 0.00 54.97 54.76 1vsa s GLU 94 Cb 0.00 0.04 -0.02 0.00 2.00 0.00 0.00 34.13 36.15 1vsa s GLU 94 CO 0.00 -0.21 1.86 0.14 -0.56 0.00 0.00 175.26 176.49 1vsa s VAL 95 N 2.65 3.38 -0.06 3.70 -7.23 -1.17 -4.93 120.40 116.75 1vsa s VAL 95 Ca 0.25 0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1vsa s VAL 95 Cb 0.00 -3.98 0.03 0.00 0.56 0.00 0.00 36.38 32.99 1vsa s VAL 95 CO -0.20 -0.95 0.15 0.42 -0.31 0.00 0.00 175.10 174.21 1vsa s THR 96 N 9.12 -0.03 0.62 5.32 -4.23 -1.26 -2.96 115.64 122.21 1vsa s THR 96 Ca 0.67 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 1vsa s THR 96 Cb -0.12 -0.23 0.11 0.00 1.34 0.00 0.00 72.50 73.60 1vsa s THR 96 CO 0.17 0.04 0.25 -2.65 -0.54 0.00 0.00 174.62 171.89 1vsa n PRO 97 N 3.66 -0.53 0.00 3.99 -0.02 -1.26 -2.63 135.00 138.21 1vsa n PRO 97 Ca -0.20 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1vsa n PRO 97 Cb 0.55 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 1vsa n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vsa n GLU 98 N -0.79 0.00 -0.36 -0.52 -0.58 -1.26 -3.88 120.64 113.25 1vsa n GLU 98 Ca 0.04 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1vsa n GLU 98 Cb 0.17 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.30 1vsa n GLU 98 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1vsa h LEU 99 N 0.00 0.88 0.00 -4.62 5.85 -1.86 -2.62 115.31 112.94 1vsa h LEU 99 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1vsa h LEU 99 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1vsa h LEU 99 CO 0.00 0.44 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 1vsa n LEU 100 N -4.66 0.00 0.00 2.25 7.99 -1.13 -3.93 117.00 117.51 1vsa n LEU 100 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1vsa n LEU 100 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 1vsa n LEU 100 CO 0.26 0.00 0.00 0.55 -1.51 0.00 0.00 177.39 176.69 1vsa n VAL 101 N 0.00 0.00 0.00 4.08 3.14 -1.17 0.36 118.33 124.74 1vsa n VAL 101 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vsa n VAL 101 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1vsa n VAL 101 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1vsa n ARG 102 N 0.00 0.00 -4.21 1.45 0.00 -1.01 -3.87 116.66 109.02 1vsa n ARG 102 Ca 0.00 0.12 -0.12 0.00 -0.00 0.00 0.00 57.85 57.85 1vsa n ARG 102 Cb 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 32.46 30.51 1vsa n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vsa s ALA 103 N -2.20 1.20 0.00 5.13 0.00 0.16 -4.93 121.76 121.11 1vsa s ALA 103 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1vsa s ALA 103 Cb 0.00 1.26 0.00 0.00 0.00 0.00 0.00 23.12 24.38 1vsa s ALA 103 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.61 1vsa n GLY 104 N -0.27 -0.19 3.99 0.00 0.00 -1.26 -4.58 105.19 102.89 1vsa n GLY 104 Ca 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1vsa n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vsa s LEU 105 N 0.00 0.00 0.00 0.99 0.05 -1.25 -5.08 118.68 113.40 1vsa s LEU 105 Ca 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.05 1vsa s LEU 105 Cb 0.00 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 45.34 1vsa s LEU 105 CO 0.00 -0.18 0.00 0.18 -0.55 0.00 0.00 176.35 175.80 1vsa n LEU 106 N -0.92 -0.52 -4.67 1.48 4.77 -1.26 -3.02 117.00 112.86 1vsa n LEU 106 Ca 0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.79 1vsa n LEU 106 Cb 0.59 0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 42.21 1vsa n LEU 106 CO 0.14 0.00 -0.27 -0.75 -1.33 0.00 0.00 177.39 175.18 1vsa s LYS 107 N -5.37 2.23 0.05 3.23 2.20 -1.26 -4.33 119.74 116.49 1vsa s LYS 107 Ca 0.00 -1.60 -0.01 0.00 -0.36 0.00 0.00 55.97 54.00 1vsa s LYS 107 Cb 0.00 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.24 1vsa s LYS 107 CO 0.00 0.18 -0.03 1.63 -0.36 0.00 0.00 175.35 176.77 1vsa n LYS 108 N -1.01 0.00 -2.69 4.03 5.02 -1.26 -5.01 118.16 117.23 1vsa n LYS 108 Ca -0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1vsa n LYS 108 Cb 0.61 -0.07 0.08 0.00 -0.02 0.00 0.00 35.03 35.63 1vsa n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vsa n GLY 109 N 0.20 -0.89 0.01 0.72 0.00 -1.26 -4.80 105.19 99.17 1vsa n GLY 109 Ca 0.00 0.61 -0.00 0.00 0.00 0.00 0.00 46.02 46.63 1vsa n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vsa n TYR 110 N 1.05 -0.01 -4.03 1.61 9.36 -1.25 -3.92 117.16 119.97 1vsa n TYR 110 Ca 0.02 0.02 -0.36 0.00 3.32 0.00 0.00 57.90 60.90 1vsa n TYR 110 Cb 0.70 -0.39 -0.08 0.00 -0.63 0.00 0.00 39.34 38.94 1vsa n TYR 110 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1vsa s ARG 111 N -4.57 3.51 -0.20 2.98 1.81 -1.15 -4.95 118.95 116.38 1vsa s ARG 111 Ca -0.00 -0.26 -0.13 0.00 -1.72 0.00 0.00 55.73 53.61 1vsa s ARG 111 Cb 0.00 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.35 1vsa s ARG 111 CO 0.01 0.60 0.28 -1.17 -0.68 0.00 0.00 175.30 174.34 1vsa s LEU 112 N -0.54 4.17 0.06 2.53 1.98 -1.25 -3.08 118.68 122.55 1vsa s LEU 112 Ca 0.11 0.37 0.06 0.00 -2.89 0.00 0.00 54.13 51.78 1vsa s LEU 112 Cb -0.12 -2.32 -0.03 0.00 0.66 0.00 0.00 46.19 44.38 1vsa s LEU 112 CO 0.02 0.03 -0.17 -0.75 -1.89 0.00 0.00 176.35 173.59 1vsa s LYS 113 N 0.95 1.07 0.01 1.98 2.47 0.14 0.92 119.74 127.27 1vsa s LYS 113 Ca 0.14 -0.94 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 1vsa s LYS 113 Cb -0.14 -1.17 -0.01 0.00 -1.46 0.00 0.00 37.83 35.06 1vsa s LYS 113 CO 0.05 0.28 -0.02 0.96 0.16 0.00 0.00 175.35 176.78 1vsa s ILE 114 N -0.99 0.12 0.00 5.43 -4.36 -1.15 -2.92 121.20 117.33 1vsa s ILE 114 Ca 0.04 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 1vsa s ILE 114 Cb -0.09 -0.17 0.00 0.00 1.25 0.00 0.00 42.46 43.45 1vsa s ILE 114 CO 0.02 -0.18 0.00 0.00 0.24 0.00 0.00 174.94 175.02 1vsa n LEU 115 N 2.47 0.00 0.00 0.37 -0.00 -1.18 -2.90 117.00 115.76 1vsa n LEU 115 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1vsa n LEU 115 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1vsa n LEU 115 CO 0.24 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 1vsa n GLY 116 N 0.00 0.94 0.73 1.47 0.00 0.09 -3.08 105.19 105.35 1vsa n GLY 116 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1vsa n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 117 N 0.00 0.00 -0.11 1.61 1.02 -1.26 -4.98 120.64 116.91 1vsa n GLU 117 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1vsa n GLU 117 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 1vsa n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsa n GLY 118 N -1.17 -3.06 1.46 0.62 0.00 -1.26 -5.00 105.19 96.78 1vsa n GLY 118 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 1vsa n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsa n GLU 119 N -2.47 0.90 -3.23 1.61 -0.58 -1.26 -4.75 120.64 110.86 1vsa n GLU 119 Ca 0.04 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.59 1vsa n GLU 119 Cb 0.17 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 1vsa n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vsa n ALA 120 N -2.72 0.00 -2.99 0.62 0.00 -1.26 -4.19 120.51 109.97 1vsa n ALA 120 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 1vsa n ALA 120 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 1vsa n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vsa s LYS 121 N -0.85 3.20 -0.88 0.00 3.01 -1.26 -4.96 119.74 118.00 1vsa s LYS 121 Ca 0.00 -1.27 -0.16 0.00 -1.01 0.00 0.00 55.97 53.52 1vsa s LYS 121 Cb 0.00 -4.39 -0.24 0.00 -1.01 0.00 0.00 37.83 32.19 1vsa s LYS 121 CO 0.00 -1.68 2.23 -0.35 0.51 0.00 0.00 175.35 176.05 1vsa n PRO 122 N 6.80 0.24 -4.81 -1.68 -0.04 -1.26 -4.84 135.00 129.41 1vsa n PRO 122 Ca 0.00 -0.41 -0.27 0.00 -0.04 0.00 0.00 63.50 62.79 1vsa n PRO 122 Cb 0.45 -2.22 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 1vsa n PRO 122 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1vsa s LEU 123 N 6.77 1.84 -0.33 1.53 0.20 -1.26 -2.52 118.68 124.92 1vsa s LEU 123 Ca 1.10 -0.37 -0.43 0.00 0.69 0.00 0.00 54.13 55.11 1vsa s LEU 123 Cb -0.50 -1.00 -0.19 0.00 -0.43 0.00 0.00 46.19 44.06 1vsa s LEU 123 CO 0.34 0.11 1.39 0.29 -0.29 0.00 0.00 176.35 178.18 1vsa n LYS 124 N 3.50 0.00 -3.84 1.98 5.02 0.07 -4.77 118.16 120.13 1vsa n LYS 124 Ca -0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 1vsa n LYS 124 Cb 0.52 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 1vsa n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vsa s VAL 125 N 1.97 0.01 0.01 -0.18 0.11 -1.21 -3.74 120.40 117.37 1vsa s VAL 125 Ca 0.97 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.69 1vsa s VAL 125 Cb -1.38 -0.18 -0.15 0.00 -1.53 0.00 0.00 36.38 33.14 1vsa s VAL 125 CO 0.72 -0.02 0.78 0.52 -3.33 0.00 0.00 175.10 173.76 1vsa n VAL 126 N 2.93 0.08 -3.25 2.04 0.31 -1.16 -4.16 118.33 115.13 1vsa n VAL 126 Ca -0.13 -0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 63.95 1vsa n VAL 126 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.45 1vsa n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vsa n ALA 127 N 1.06 1.99 0.90 3.52 0.00 -1.24 -4.91 120.51 121.84 1vsa n ALA 127 Ca 0.15 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1vsa n ALA 127 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1vsa n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vsa n HIS 128 N 2.56 0.00 0.00 0.00 8.25 -1.09 -3.14 115.22 121.80 1vsa n HIS 128 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1vsa n HIS 128 Cb 0.50 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1vsa n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vsa n ALA 129 N 0.03 0.00 -2.67 -1.41 0.00 0.26 -4.11 120.51 112.61 1vsa n ALA 129 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1vsa n ALA 129 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1vsa n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1vsa s PHE 130 N 0.00 1.79 -0.01 0.00 -0.71 -1.26 -2.50 117.98 115.30 1vsa s PHE 130 Ca 0.00 -1.13 0.05 0.00 -1.04 0.00 0.00 56.93 54.81 1vsa s PHE 130 Cb 0.00 -1.40 -0.03 0.00 -1.21 0.00 0.00 43.02 40.38 1vsa s PHE 130 CO 0.00 -0.03 -0.15 0.45 -1.34 0.00 0.00 175.22 174.15 1vsa s SER 131 N -3.78 3.97 0.50 1.98 0.15 -1.14 -4.82 113.70 110.55 1vsa s SER 131 Ca 0.11 -0.29 0.38 0.00 0.70 0.00 0.00 55.95 56.85 1vsa s SER 131 Cb 0.01 -0.76 1.55 0.00 -1.71 0.00 0.00 66.02 65.11 1vsa s SER 131 CO 0.07 0.30 1.64 0.11 1.20 0.00 0.00 173.24 176.57 1vsa h LYS 132 N 4.95 0.05 -0.20 5.44 1.57 -2.00 0.19 116.57 126.56 1vsa h LYS 132 Ca -0.47 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1vsa h LYS 132 Cb 1.15 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 1vsa h LYS 132 CO 0.50 0.03 -0.54 0.77 -0.57 0.00 0.00 179.45 179.64 1vsa h SER 133 N 0.05 -1.75 -0.76 0.86 0.02 -1.95 -1.75 113.55 108.28 1vsa h SER 133 Ca 0.81 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 62.02 1vsa h SER 133 Cb 2.91 0.69 -0.05 0.00 0.14 0.00 0.00 62.40 66.09 1vsa h SER 133 CO -0.20 -0.46 0.46 0.00 -1.14 0.00 0.00 176.83 175.49 1vsa h ALA 134 N -0.21 1.02 -0.60 3.77 0.00 -0.96 -2.91 119.26 119.37 1vsa h ALA 134 Ca 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1vsa h ALA 134 Cb 0.66 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1vsa h ALA 134 CO -0.48 0.21 -0.35 -0.11 0.00 0.00 0.00 179.25 178.52 1vsa n LEU 135 N -4.67 -0.63 0.11 0.00 -0.00 -0.67 0.12 117.00 111.25 1vsa n LEU 135 Ca 0.10 1.21 0.01 0.00 -0.00 0.00 0.00 56.01 57.32 1vsa n LEU 135 Cb 0.14 -0.21 0.33 0.00 -0.00 0.00 0.00 43.42 43.68 1vsa n LEU 135 CO 0.31 -0.94 0.80 -0.08 -0.00 0.00 0.00 177.39 177.48 1vsa h GLU 136 N 0.00 0.24 -0.09 1.96 4.57 -1.41 0.82 114.58 120.67 1vsa h GLU 136 Ca 0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1vsa h GLU 136 Cb 0.24 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1vsa h GLU 136 CO -0.56 0.47 0.00 1.63 -1.18 0.00 0.00 179.01 179.37 1vsa n LYS 137 N -4.18 1.45 -1.01 1.92 4.76 0.25 -3.80 118.16 117.55 1vsa n LYS 137 Ca -0.01 -0.67 -0.03 0.00 -2.87 0.00 0.00 58.31 54.73 1vsa n LYS 137 Cb 0.35 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 1vsa n LYS 137 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1vsa n LEU 138 N -0.12 -0.30 0.00 -0.35 4.32 0.32 -4.03 117.00 116.85 1vsa n LEU 138 Ca 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 56.01 54.37 1vsa n LEU 138 Cb 0.23 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1vsa n LEU 138 CO 0.13 1.10 0.00 1.17 -1.22 0.00 0.00 177.39 178.56 1vsa n LYS 139 N 0.12 0.00 0.00 3.23 0.00 0.28 -1.69 118.16 120.10 1vsa n LYS 139 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.17 1vsa n LYS 139 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 1vsa n LYS 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vsa n ALA 140 N -3.00 1.92 -2.55 3.14 0.00 -1.26 -1.57 120.51 117.19 1vsa n ALA 140 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1vsa n ALA 140 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1vsa n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa n ALA 141 N 0.47 -0.31 0.00 0.00 0.00 -1.26 -5.11 120.51 114.31 1vsa n ALA 141 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1vsa n ALA 141 Cb 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1vsa n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsa n GLY 142 N -0.53 -1.37 2.85 0.00 0.00 -0.61 -3.17 105.19 102.36 1vsa n GLY 142 Ca -0.06 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1vsa n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vsa s GLY 143 N 0.00 0.04 0.05 -0.02 0.00 -0.68 -3.78 107.32 102.92 1vsa s GLY 143 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1vsa s GLY 143 CO 0.00 1.26 -0.11 -0.54 0.00 0.00 0.00 173.10 173.72 1vsa s GLU 144 N 1.69 0.68 0.00 2.90 2.02 -1.24 -0.75 118.70 124.00 1vsa s GLU 144 Ca -0.03 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1vsa s GLU 144 Cb -0.12 -0.58 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1vsa s GLU 144 CO -0.05 0.13 0.00 -0.35 0.02 0.00 0.00 175.26 175.01 1vsa n PRO 145 N 1.59 3.25 -4.39 0.39 -0.04 -1.26 -4.92 135.00 129.62 1vsa n PRO 145 Ca -0.21 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.04 1vsa n PRO 145 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 1vsa n PRO 145 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vsa s VAL 146 N 4.34 0.36 0.00 0.52 0.11 -1.26 -4.85 120.40 119.62 1vsa s VAL 146 Ca 0.00 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1vsa s VAL 146 Cb 0.00 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1vsa s VAL 146 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1vsa n LEU 147 N -0.72 0.00 0.00 2.54 -0.00 -1.19 -3.63 117.00 114.01 1vsa n LEU 147 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1vsa n LEU 147 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1vsa n LEU 147 CO 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.73 1vsa n LEU 148 N 0.00 0.00 -1.89 1.47 -0.00 -1.26 -4.94 117.00 110.38 1vsa n LEU 148 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1vsa n LEU 148 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1vsa n LEU 148 CO 0.00 0.00 0.03 -0.62 -0.00 0.00 0.00 177.39 176.80 1vsa n GLU 149 N 0.00 -0.45 0.00 1.47 4.71 -1.26 -5.18 120.64 119.93 1vsa n GLU 149 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1vsa n GLU 149 Cb 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 27.94 1vsa n GLU 149 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22