#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3p s ILE 2 N 0.00 5.19 -0.14 6.31 1.01 -1.26 -4.99 121.20 127.32 3h3p s ILE 2 Ca 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.36 3h3p s ILE 2 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3h3p s ILE 2 CO 0.00 0.30 0.34 -0.69 0.00 0.00 0.00 174.94 174.89 3h3p s VAL 3 N 0.90 5.26 -0.41 2.92 1.01 -1.26 -4.76 120.40 124.06 3h3p s VAL 3 Ca 0.23 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 3h3p s VAL 3 Cb -0.15 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.64 3h3p s VAL 3 CO 0.09 0.39 0.23 -0.76 0.00 0.00 0.00 175.10 175.05 3h3p s LEU 4 N 0.39 5.12 -0.23 3.92 1.43 -1.26 -0.49 118.68 127.55 3h3p s LEU 4 Ca 0.19 -1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 51.46 3h3p s LEU 4 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3h3p s LEU 4 CO 0.06 -0.53 0.56 -0.89 0.23 0.00 0.00 176.35 175.78 3h3p s THR 5 N 1.34 5.05 -0.10 5.49 2.01 0.25 -3.92 115.64 125.76 3h3p s THR 5 Ca 0.04 1.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.98 3h3p s THR 5 Cb -0.23 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 3h3p s THR 5 CO 0.00 0.10 0.17 -1.10 -0.69 0.00 0.00 174.62 173.11 3h3p s GLN 6 N 2.08 3.49 -0.02 4.92 -0.21 -1.26 0.20 119.66 128.86 3h3p s GLN 6 Ca 0.25 -0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.54 3h3p s GLN 6 Cb -0.16 -3.19 0.01 0.00 1.00 0.00 0.00 33.01 30.67 3h3p s GLN 6 CO 0.09 0.77 0.05 0.45 -2.12 0.00 0.00 175.29 174.53 3h3p s SER 7 N -1.05 -0.03 0.59 5.90 0.15 -0.81 -4.47 113.70 113.98 3h3p s SER 7 Ca 0.16 0.09 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 3h3p s SER 7 Cb -0.13 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.25 3h3p s SER 7 CO 0.05 -0.04 0.92 -2.16 1.20 0.00 0.00 173.24 173.21 3h3p s PRO 8 N 0.28 3.15 0.24 5.44 0.04 -1.26 0.11 135.00 143.00 3h3p s PRO 8 Ca -0.02 0.22 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 3h3p s PRO 8 Cb -0.03 -2.23 0.23 0.00 0.04 0.00 0.00 34.50 32.51 3h3p s PRO 8 CO -0.01 -0.62 1.89 0.78 0.04 0.00 0.00 177.00 179.08 3h3p h GLY 9 N -0.18 1.38 -6.79 0.56 0.00 -1.88 -3.41 103.07 92.75 3h3p h GLY 9 Ca -0.45 -0.57 -0.43 0.00 0.00 0.00 0.00 47.33 45.87 3h3p h GLY 9 CO 0.62 0.55 -0.71 -1.59 0.00 0.00 0.00 176.54 175.40 3h3p s THR 10 N -5.98 -0.19 -0.03 4.70 2.01 -1.26 -1.67 115.64 113.22 3h3p s THR 10 Ca -0.13 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 3h3p s THR 10 Cb 0.17 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3h3p s THR 10 CO 0.82 -0.47 0.96 -1.10 -0.69 0.00 0.00 174.62 174.14 3h3p s GLN 11 N 2.21 4.51 -0.30 4.92 -1.52 -0.46 -4.99 119.66 124.03 3h3p s GLN 11 Ca 0.07 1.35 0.03 0.00 -1.95 0.00 0.00 55.36 54.86 3h3p s GLN 11 Cb -0.16 -3.48 0.08 0.00 -0.22 0.00 0.00 33.01 29.24 3h3p s GLN 11 CO -0.25 -0.10 -0.00 -1.12 -0.25 0.00 0.00 175.29 173.57 3h3p s SER 12 N 1.01 4.47 0.26 5.90 0.01 -1.26 -0.84 113.70 123.25 3h3p s SER 12 Ca 0.50 -1.76 0.01 0.00 1.31 0.00 0.00 55.95 56.01 3h3p s SER 12 Cb -0.20 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 3h3p s SER 12 CO 0.25 -0.31 0.10 -0.76 0.41 0.00 0.00 173.24 172.93 3h3p s LEU 13 N 1.10 1.62 0.13 2.44 1.43 -1.09 -4.71 118.68 119.60 3h3p s LEU 13 Ca 0.03 -1.40 0.03 0.00 -1.03 0.00 0.00 54.13 51.77 3h3p s LEU 13 Cb -0.19 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 3h3p s LEU 13 CO -0.09 -0.75 0.17 -0.44 0.23 0.00 0.00 176.35 175.48 3h3p s SER 14 N -3.31 5.84 0.13 2.29 0.01 -1.26 -2.42 113.70 114.98 3h3p s SER 14 Ca 0.38 0.02 -0.35 0.00 1.31 0.00 0.00 55.95 57.31 3h3p s SER 14 Cb 0.08 -1.63 -0.15 0.00 0.21 0.00 0.00 66.02 64.53 3h3p s SER 14 CO 0.14 0.10 1.51 -2.65 0.41 0.00 0.00 173.24 172.75 3h3p n PRO 15 N -0.16 1.84 -0.01 12.44 -0.02 -1.26 -1.80 135.00 146.03 3h3p n PRO 15 Ca -0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3h3p n PRO 15 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3h3p n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3p n GLY 16 N 3.16 0.52 3.89 -1.23 0.00 0.20 -4.96 105.19 106.76 3h3p n GLY 16 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3h3p n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3p n GLU 17 N -2.00 -0.51 -4.50 1.61 1.02 -0.75 -4.41 120.64 111.11 3h3p n GLU 17 Ca 0.00 -2.51 -0.34 0.00 -0.02 0.00 0.00 57.16 54.29 3h3p n GLU 17 Cb 0.00 -0.90 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 3h3p n GLU 17 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3h3p s ARG 18 N -5.38 3.39 -0.20 3.49 3.52 -1.26 -0.87 118.95 121.64 3h3p s ARG 18 Ca 0.70 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 55.73 3h3p s ARG 18 Cb -0.03 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 3h3p s ARG 18 CO 0.47 0.37 -0.08 0.00 -0.81 0.00 0.00 175.30 175.24 3h3p s ALA 19 N 0.01 2.70 -0.26 6.12 0.00 -0.33 -4.98 121.76 125.01 3h3p s ALA 19 Ca -0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 3h3p s ALA 19 Cb -0.13 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.47 3h3p s ALA 19 CO 0.03 -0.34 -0.04 0.99 0.00 0.00 0.00 175.76 176.39 3h3p s THR 20 N 1.32 2.94 -0.10 0.00 2.01 -1.26 -0.31 115.64 120.23 3h3p s THR 20 Ca 0.04 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.96 3h3p s THR 20 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3h3p s THR 20 CO -0.04 0.13 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.14 3h3p s LEU 21 N 1.32 2.82 0.02 4.42 1.02 0.53 -4.79 118.68 124.01 3h3p s LEU 21 Ca -0.01 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 53.91 3h3p s LEU 21 Cb -0.17 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 3h3p s LEU 21 CO -0.03 0.24 0.09 -0.44 0.02 0.00 0.00 176.35 176.23 3h3p s SER 22 N -0.11 5.72 -0.10 2.29 0.01 0.12 -0.86 113.70 120.76 3h3p s SER 22 Ca -0.01 0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.36 3h3p s SER 22 Cb -0.14 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.50 3h3p s SER 22 CO 0.03 0.25 0.03 0.00 0.41 0.00 0.00 173.24 173.96 3h3p s ARG 24 N 2.03 3.47 -0.15 0.00 6.06 0.13 -1.23 118.95 129.25 3h3p s ARG 24 Ca 0.04 -0.59 -0.06 0.00 -2.50 0.00 0.00 55.73 52.62 3h3p s ARG 24 Cb -0.13 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.80 3h3p s ARG 24 CO -0.06 -0.12 0.06 0.00 -2.50 0.00 0.00 175.30 172.69 3h3p s ALA 25 N 1.30 3.44 0.06 6.12 0.00 -0.01 0.88 121.76 133.55 3h3p s ALA 25 Ca 0.04 -0.74 0.33 0.00 0.00 0.00 0.00 51.96 51.58 3h3p s ALA 25 Cb -0.14 -1.83 1.47 0.00 0.00 0.00 0.00 23.12 22.61 3h3p s ALA 25 CO -0.01 0.33 1.98 0.66 0.00 0.00 0.00 175.76 178.72 3h3p h SER 26 N 6.12 0.00 -5.55 0.00 4.64 -1.11 -3.43 113.55 114.21 3h3p h SER 26 Ca -0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.60 3h3p h SER 26 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 3h3p h SER 26 CO 0.65 0.00 -0.59 -1.10 -0.87 0.00 0.00 176.83 174.92 3h3p s GLN 27 N -3.67 1.34 0.15 4.77 -0.21 -1.26 -4.96 119.66 115.81 3h3p s GLN 27 Ca 0.00 -1.72 -0.31 0.00 0.02 0.00 0.00 55.36 53.35 3h3p s GLN 27 Cb 0.10 0.23 -0.09 0.00 1.00 0.00 0.00 33.01 34.25 3h3p s GLN 27 CO 0.46 -0.44 1.47 0.45 -2.12 0.00 0.00 175.29 175.12 3h3p s SER 28 N -3.22 6.70 -0.21 5.90 0.15 -1.26 -4.65 113.70 117.11 3h3p s SER 28 Ca 0.39 2.49 -0.29 0.00 0.70 0.00 0.00 55.95 59.24 3h3p s SER 28 Cb 0.06 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3h3p s SER 28 CO 0.15 -0.73 1.35 -0.69 1.20 0.00 0.00 173.24 174.52 3h3p s VAL 29 N 0.99 4.11 -0.06 4.45 1.01 -0.71 -4.94 120.40 125.25 3h3p s VAL 29 Ca 0.66 1.31 -0.34 0.00 0.00 0.00 0.00 61.98 63.62 3h3p s VAL 29 Cb -0.40 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 3h3p s VAL 29 CO 0.32 -0.26 1.88 0.61 0.00 0.00 0.00 175.10 177.65 3h3p n GLY 30 N 4.00 1.49 2.43 4.51 0.00 -1.26 -1.99 105.19 114.37 3h3p n GLY 30 Ca 0.15 0.85 -0.20 0.00 0.00 0.00 0.00 46.02 46.82 3h3p n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3p n ASN 31 N 6.56 -5.60 -2.91 1.61 3.02 -1.26 -2.20 115.26 114.48 3h3p n ASN 31 Ca 0.22 0.12 -0.18 0.00 -0.03 0.00 0.00 54.58 54.71 3h3p n ASN 31 Cb 0.31 -4.74 -0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3h3p n ASN 31 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h3p n ASN 32 N -1.83 -4.02 -4.05 6.41 3.02 -0.84 -4.84 115.26 109.11 3h3p n ASN 32 Ca -0.23 -0.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 3h3p n ASN 32 Cb 0.67 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 3h3p n ASN 32 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h3p n LYS 33 N -3.34 2.98 -4.76 3.52 4.76 -0.93 -3.41 118.16 116.98 3h3p n LYS 33 Ca -0.08 -2.86 -0.26 0.00 -2.87 0.00 0.00 58.31 52.24 3h3p n LYS 33 Cb 0.58 -3.37 -0.16 0.00 -1.84 0.00 0.00 35.03 30.24 3h3p n LYS 33 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3h3p s LEU 34 N 2.96 1.81 0.31 -0.35 2.96 -1.26 -0.60 118.68 124.51 3h3p s LEU 34 Ca 0.50 -0.35 0.11 0.00 -0.22 0.00 0.00 54.13 54.16 3h3p s LEU 34 Cb 0.10 -0.96 -0.06 0.00 0.50 0.00 0.00 46.19 45.78 3h3p s LEU 34 CO -0.03 0.09 -0.13 0.00 -1.32 0.00 0.00 176.35 174.97 3h3p s ALA 35 N 0.39 2.90 0.01 5.97 0.00 0.21 -0.47 121.76 130.76 3h3p s ALA 35 Ca -0.11 -1.95 0.07 0.00 0.00 0.00 0.00 51.96 49.97 3h3p s ALA 35 Cb -0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3h3p s ALA 35 CO 0.04 0.19 -0.22 -1.58 0.00 0.00 0.00 175.76 174.18 3h3p s TRP 36 N -2.53 1.99 0.03 0.00 0.52 -0.37 -0.07 118.94 118.50 3h3p s TRP 36 Ca 0.31 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 56.09 3h3p s TRP 36 Cb -0.02 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3h3p s TRP 36 CO 0.16 0.02 -0.11 0.71 0.02 0.00 0.00 176.95 177.76 3h3p s TYR 37 N -0.64 0.92 -0.13 -1.98 1.51 0.11 -1.90 117.35 115.26 3h3p s TYR 37 Ca 0.09 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 3h3p s TYR 37 Cb -0.09 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 3h3p s TYR 37 CO 0.00 -0.01 0.03 -1.14 -1.11 0.00 0.00 175.55 173.32 3h3p s GLN 38 N -0.96 3.43 -0.08 -0.62 0.74 -0.16 -1.12 119.66 120.88 3h3p s GLN 38 Ca -0.01 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.01 3h3p s GLN 38 Cb -0.07 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.10 3h3p s GLN 38 CO 0.01 0.52 0.00 -1.14 -0.55 0.00 0.00 175.29 174.13 3h3p s GLN 39 N -0.35 0.63 0.24 1.67 0.74 0.44 0.52 119.66 123.57 3h3p s GLN 39 Ca 0.08 0.05 -0.08 0.00 0.05 0.00 0.00 55.36 55.46 3h3p s GLN 39 Cb -0.12 -1.10 -0.06 0.00 1.10 0.00 0.00 33.01 32.83 3h3p s GLN 39 CO 0.02 -0.33 0.53 1.03 -0.55 0.00 0.00 175.29 175.99 3h3p s ARG 40 N 1.96 3.73 0.13 1.67 0.52 -1.26 -1.51 118.95 124.18 3h3p s ARG 40 Ca 0.04 0.15 -0.35 0.00 -0.52 0.00 0.00 55.73 55.06 3h3p s ARG 40 Cb -0.13 -2.67 -0.16 0.00 0.52 0.00 0.00 34.95 32.52 3h3p s ARG 40 CO -0.06 0.30 1.32 -2.30 0.02 0.00 0.00 175.30 174.58 3h3p n PRO 41 N -0.37 1.33 -0.21 3.54 -0.02 -1.26 -0.80 135.00 137.21 3h3p n PRO 41 Ca -0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3h3p n PRO 41 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3h3p n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3p n GLY 42 N 2.44 2.12 3.96 -1.23 0.00 -1.26 -4.99 105.19 106.23 3h3p n GLY 42 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3h3p n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h3p s GLN 43 N -0.04 3.45 0.50 1.61 -0.21 0.02 -5.09 119.66 119.90 3h3p s GLN 43 Ca 0.00 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.56 3h3p s GLN 43 Cb 0.00 -2.87 -0.08 0.00 1.00 0.00 0.00 33.01 31.07 3h3p s GLN 43 CO 0.00 0.40 1.01 0.00 -2.12 0.00 0.00 175.29 174.59 3h3p s ALA 44 N -1.98 2.91 0.80 6.09 0.00 -1.26 -4.61 121.76 123.71 3h3p s ALA 44 Ca 0.35 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 3h3p s ALA 44 Cb -0.10 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3h3p s ALA 44 CO 0.30 -0.31 1.11 -2.14 0.00 0.00 0.00 175.76 174.71 3h3p s PRO 45 N -3.54 2.01 -0.04 0.00 0.02 -1.26 -4.71 135.00 127.47 3h3p s PRO 45 Ca 0.64 1.29 0.04 0.00 0.02 0.00 0.00 61.00 62.99 3h3p s PRO 45 Cb -0.14 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 3h3p s PRO 45 CO 0.24 -1.85 -0.16 0.50 -0.33 0.00 0.00 177.00 175.40 3h3p s ARG 46 N -4.77 1.71 -0.08 5.54 3.52 0.19 -4.92 118.95 120.14 3h3p s ARG 46 Ca 0.63 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 3h3p s ARG 46 Cb -0.19 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.68 3h3p s ARG 46 CO 0.55 0.23 1.21 -1.17 -0.81 0.00 0.00 175.30 175.31 3h3p s LEU 47 N 0.06 4.25 -0.16 -0.88 2.96 -1.26 -0.99 118.68 122.66 3h3p s LEU 47 Ca -0.04 1.78 -0.12 0.00 -0.22 0.00 0.00 54.13 55.53 3h3p s LEU 47 Cb -0.11 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 3h3p s LEU 47 CO 0.02 -0.63 -0.26 0.18 -1.32 0.00 0.00 176.35 174.34 3h3p n LEU 48 N 5.54 1.57 -4.01 -0.68 4.77 -0.80 -4.84 117.00 118.54 3h3p n LEU 48 Ca 0.12 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 3h3p n LEU 48 Cb 0.46 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 3h3p n LEU 48 CO 0.55 0.05 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.57 3h3p s ILE 49 N -2.51 0.96 0.14 -0.08 -1.09 -1.18 -4.08 121.20 113.37 3h3p s ILE 49 Ca -0.25 -0.42 0.06 0.00 -2.23 0.00 0.00 60.65 57.81 3h3p s ILE 49 Cb 0.07 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 40.04 3h3p s ILE 49 CO 0.34 0.30 -0.14 -0.72 -1.23 0.00 0.00 174.94 173.50 3h3p s TYR 50 N 0.44 1.43 -1.47 3.97 -0.85 -0.08 -1.24 117.35 119.55 3h3p s TYR 50 Ca -0.09 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 55.84 3h3p s TYR 50 Cb -0.12 -0.73 0.02 0.00 0.38 0.00 0.00 41.96 41.50 3h3p s TYR 50 CO 0.02 0.17 0.44 0.41 -1.52 0.00 0.00 175.55 175.06 3h3p n GLY 51 N 0.32 -0.51 3.73 5.49 0.00 -1.16 -0.35 105.19 112.71 3h3p n GLY 51 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3h3p n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3p n ALA 52 N -3.21 0.00 -0.62 4.61 0.00 0.37 -4.20 120.51 117.46 3h3p n ALA 52 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3h3p n ALA 52 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3h3p n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h3p n SER 53 N 2.47 0.12 -4.85 0.00 3.41 -1.20 -2.80 113.62 110.77 3h3p n SER 53 Ca 0.00 -0.76 -0.32 0.00 -0.26 0.00 0.00 58.87 57.53 3h3p n SER 53 Cb 0.00 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3h3p n SER 53 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3h3p s SER 54 N -0.04 6.54 -0.13 4.04 0.01 0.53 -4.47 113.70 120.18 3h3p s SER 54 Ca 0.00 1.48 -0.01 0.00 1.31 0.00 0.00 55.95 58.74 3h3p s SER 54 Cb 0.00 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.78 3h3p s SER 54 CO 0.00 -0.61 -0.06 -0.13 0.41 0.00 0.00 173.24 172.84 3h3p s ARG 55 N -4.24 1.45 0.67 12.44 0.52 -1.26 -0.91 118.95 127.61 3h3p s ARG 55 Ca 0.57 -0.34 -0.17 0.00 -0.52 0.00 0.00 55.73 55.28 3h3p s ARG 55 Cb -0.10 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.65 3h3p s ARG 55 CO 0.35 -0.33 1.24 -2.14 0.02 0.00 0.00 175.30 174.45 3h3p s PRO 56 N 1.69 2.49 0.52 3.54 0.02 -1.26 -4.93 135.00 137.07 3h3p s PRO 56 Ca 0.03 1.90 -0.22 0.00 0.02 0.00 0.00 61.00 62.73 3h3p s PRO 56 Cb -0.14 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 3h3p s PRO 56 CO -0.08 -1.60 1.20 0.45 -0.33 0.00 0.00 177.00 176.64 3h3p n SER 57 N -2.13 2.02 0.00 2.53 2.88 -1.26 -2.38 113.62 115.27 3h3p n SER 57 Ca 0.14 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3h3p n SER 57 Cb 0.49 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 3h3p n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h3p n GLY 58 N 0.95 3.15 3.76 0.46 0.00 -1.26 -5.02 105.19 107.23 3h3p n GLY 58 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3h3p n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3p s VAL 59 N -1.60 3.67 0.46 1.61 1.01 -1.00 -5.00 120.40 119.55 3h3p s VAL 59 Ca 0.00 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 3h3p s VAL 59 Cb 0.00 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3h3p s VAL 59 CO 0.00 0.29 1.23 0.00 0.00 0.00 0.00 175.10 176.63 3h3p s ALA 60 N -1.30 3.02 0.37 5.51 0.00 -1.26 -4.94 121.76 123.16 3h3p s ALA 60 Ca 0.47 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.55 3h3p s ALA 60 Cb -0.28 -3.44 0.71 0.00 0.00 0.00 0.00 23.12 20.11 3h3p s ALA 60 CO 0.36 -0.83 2.01 0.22 0.00 0.00 0.00 175.76 177.52 3h3p h ASP 61 N 2.12 0.61 0.38 0.00 1.82 -2.00 -2.76 116.42 116.59 3h3p h ASP 61 Ca -0.50 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 3h3p h ASP 61 Cb 1.26 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.11 3h3p h ASP 61 CO 0.60 0.47 0.00 0.08 -1.61 0.00 0.00 179.24 178.78 3h3p h ARG 62 N 0.71 0.00 -6.32 0.28 0.11 -1.96 -3.42 114.38 103.77 3h3p h ARG 62 Ca 0.19 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.72 3h3p h ARG 62 Cb -0.03 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 3h3p h ARG 62 CO -0.04 0.00 0.16 -0.06 0.10 0.00 0.00 179.97 180.13 3h3p s PHE 63 N -3.73 3.75 -0.05 4.08 0.40 -1.04 -2.37 117.98 119.01 3h3p s PHE 63 Ca -0.01 1.49 -0.03 0.00 -0.60 0.00 0.00 56.93 57.77 3h3p s PHE 63 Cb 0.10 -2.81 0.03 0.00 0.51 0.00 0.00 43.02 40.84 3h3p s PHE 63 CO 0.39 0.30 0.13 0.45 0.70 0.00 0.00 175.22 177.18 3h3p s SER 64 N -0.17 -0.10 0.10 1.36 0.15 -0.77 -4.99 113.70 109.28 3h3p s SER 64 Ca 0.38 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.34 3h3p s SER 64 Cb -0.21 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3h3p s SER 64 CO 0.23 -0.10 0.02 -0.83 1.20 0.00 0.00 173.24 173.76 3h3p s GLY 65 N 0.71 1.91 0.13 9.45 0.00 -1.26 -1.44 107.32 116.81 3h3p s GLY 65 Ca -0.05 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.29 3h3p s GLY 65 CO -0.03 -1.11 0.70 -1.35 0.00 0.00 0.00 173.10 171.30 3h3p s SER 66 N -2.43 -0.47 0.00 1.64 1.04 -0.82 -4.45 113.70 108.21 3h3p s SER 66 Ca 0.27 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3h3p s SER 66 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3h3p s SER 66 CO 0.19 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3h3p n GLY 67 N -0.36 2.08 3.63 7.32 0.00 -1.26 -1.33 105.19 115.28 3h3p n GLY 67 Ca -0.13 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 3h3p n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3p s SER 68 N 0.00 -0.69 0.04 1.61 1.04 -1.09 -4.95 113.70 109.65 3h3p s SER 68 Ca 0.00 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.71 3h3p s SER 68 Cb 0.00 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.42 3h3p s SER 68 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3h3p n GLY 69 N 2.89 2.05 0.02 7.32 0.00 -1.26 -3.91 105.19 112.29 3h3p n GLY 69 Ca -0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 3h3p n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h3p n THR 70 N 0.00 0.21 -4.25 2.61 -2.24 -1.26 -1.73 114.28 107.61 3h3p n THR 70 Ca 0.00 -0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3h3p n THR 70 Cb 0.00 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.81 3h3p n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h3p s ASP 71 N -3.23 5.15 0.04 3.42 2.15 -1.25 -0.83 116.67 122.12 3h3p s ASP 71 Ca -0.02 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.95 3h3p s ASP 71 Cb 0.03 -1.82 -0.02 0.00 -0.30 0.00 0.00 42.92 40.80 3h3p s ASP 71 CO 0.23 0.19 -0.08 -0.36 -0.17 0.00 0.00 175.17 174.98 3h3p s PHE 72 N 0.25 0.71 -0.05 -5.34 0.40 -0.37 -2.67 117.98 110.91 3h3p s PHE 72 Ca -0.00 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3h3p s PHE 72 Cb -0.13 -0.42 0.00 0.00 0.51 0.00 0.00 43.02 42.98 3h3p s PHE 72 CO 0.02 -0.06 -0.14 0.99 0.70 0.00 0.00 175.22 176.73 3h3p s THR 73 N -1.18 1.22 -0.22 0.64 2.01 -0.44 -0.65 115.64 117.02 3h3p s THR 73 Ca -0.07 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 3h3p s THR 73 Cb -0.09 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 3h3p s THR 73 CO 0.01 0.36 0.02 -0.22 -0.69 0.00 0.00 174.62 174.10 3h3p s LEU 74 N 0.30 3.34 -0.04 4.42 2.96 -0.04 -1.95 118.68 127.66 3h3p s LEU 74 Ca -0.08 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3h3p s LEU 74 Cb -0.13 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3h3p s LEU 74 CO 0.03 0.04 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.09 3h3p s THR 75 N 1.17 3.33 -0.14 3.68 2.01 -0.52 -0.35 115.64 124.83 3h3p s THR 75 Ca 0.03 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3h3p s THR 75 Cb -0.14 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.02 3h3p s THR 75 CO 0.02 0.55 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.67 3h3p s ILE 76 N -0.81 2.32 -0.13 1.82 1.01 0.57 -1.84 121.20 124.14 3h3p s ILE 76 Ca 0.13 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 3h3p s ILE 76 Cb -0.11 -1.94 -0.23 0.00 0.01 0.00 0.00 42.46 40.20 3h3p s ILE 76 CO 0.02 0.54 0.70 0.77 0.00 0.00 0.00 174.94 176.97 3h3p h SER 77 N 7.17 -0.00 -3.15 3.58 4.64 -1.77 -0.87 113.55 123.14 3h3p h SER 77 Ca -0.30 -0.85 -0.61 0.00 -0.47 0.00 0.00 61.79 59.56 3h3p h SER 77 Cb 1.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 3h3p h SER 77 CO 0.54 0.91 -0.73 0.00 -0.87 0.00 0.00 176.83 176.69 3h3p s ARG 78 N -2.23 1.68 -0.44 4.77 1.04 -1.26 -4.03 118.95 118.48 3h3p s ARG 78 Ca -0.17 -2.57 -0.42 0.00 -1.04 0.00 0.00 55.73 51.53 3h3p s ARG 78 Cb -0.02 -2.59 -0.17 0.00 -2.04 0.00 0.00 34.95 30.13 3h3p s ARG 78 CO 0.60 -1.26 1.99 1.28 -0.04 0.00 0.00 175.30 177.87 3h3p n LEU 79 N 2.77 1.36 -4.93 -1.89 4.77 -0.05 -4.67 117.00 114.36 3h3p n LEU 79 Ca 0.17 0.78 -0.25 0.00 -0.03 0.00 0.00 56.01 56.69 3h3p n LEU 79 Cb 0.38 -1.00 -0.01 0.00 -2.33 0.00 0.00 43.42 40.46 3h3p n LEU 79 CO 0.22 -0.72 0.26 -0.70 -1.33 0.00 0.00 177.39 175.11 3h3p s GLU 80 N 5.09 3.46 0.44 3.23 2.56 -1.26 0.62 118.70 132.85 3h3p s GLU 80 Ca 1.12 -0.20 0.11 0.00 0.00 0.00 0.00 54.97 55.99 3h3p s GLU 80 Cb -1.31 -2.57 0.98 0.00 2.00 0.00 0.00 34.13 33.23 3h3p s GLU 80 CO 0.66 0.01 2.06 -1.35 -0.56 0.00 0.00 175.26 176.08 3h3p h PRO 81 N 0.57 0.29 -0.15 4.30 0.11 -1.99 -1.83 132.00 133.31 3h3p h PRO 81 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h3p h PRO 81 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h3p h PRO 81 CO 0.61 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 3h3p n GLU 82 N -4.46 0.59 0.00 1.05 4.71 -1.26 -2.96 120.64 118.31 3h3p n GLU 82 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 3h3p n GLU 82 Cb 0.11 -1.08 -0.03 0.00 -1.01 0.00 0.00 31.44 29.43 3h3p n GLU 82 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3h3p n ASP 83 N -0.32 0.88 -4.57 1.62 8.00 -0.69 -4.82 116.55 116.65 3h3p n ASP 83 Ca 0.00 -0.94 -0.37 0.00 0.71 0.00 0.00 54.79 54.19 3h3p n ASP 83 Cb 0.04 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 3h3p n ASP 83 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h3p s PHE 84 N -1.75 2.41 0.00 1.24 0.08 -1.16 -4.81 117.98 113.99 3h3p s PHE 84 Ca 0.07 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.42 3h3p s PHE 84 Cb 0.09 -4.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.06 3h3p s PHE 84 CO 0.36 -1.67 0.00 0.00 -0.10 0.00 0.00 175.22 173.81 3h3p n ALA 85 N 10.63 0.00 -2.69 5.36 0.00 -1.21 -4.94 120.51 127.66 3h3p n ALA 85 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 3h3p n ALA 85 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3h3p n ALA 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h3p s VAL 86 N -0.96 4.28 -0.09 0.00 1.01 -0.57 -1.76 120.40 122.30 3h3p s VAL 86 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3h3p s VAL 86 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3h3p s VAL 86 CO 0.00 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.09 3h3p s TYR 87 N -0.97 2.32 -0.04 5.22 1.51 -0.82 -0.42 117.35 124.16 3h3p s TYR 87 Ca 0.16 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 3h3p s TYR 87 Cb -0.11 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3h3p s TYR 87 CO 0.06 -0.39 -0.12 0.71 -1.11 0.00 0.00 175.55 174.69 3h3p s TYR 88 N 0.42 2.76 0.11 2.71 1.51 -0.28 -1.53 117.35 123.05 3h3p s TYR 88 Ca -0.18 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3h3p s TYR 88 Cb -0.17 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3h3p s TYR 88 CO 0.08 0.25 0.27 0.00 -1.11 0.00 0.00 175.55 175.03 3h3p s GLN 90 N -2.84 0.12 -0.08 0.00 0.74 0.90 -1.14 119.66 117.36 3h3p s GLN 90 Ca 0.36 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.71 3h3p s GLN 90 Cb -0.12 0.05 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 3h3p s GLN 90 CO 0.28 -0.02 -0.11 1.14 -0.55 0.00 0.00 175.29 176.03 3h3p s GLN 91 N -0.31 2.81 -0.10 1.67 1.03 -0.81 0.64 119.66 124.60 3h3p s GLN 91 Ca -0.04 -0.63 0.20 0.00 0.04 0.00 0.00 55.36 54.94 3h3p s GLN 91 Cb -0.02 -2.53 0.44 0.00 0.03 0.00 0.00 33.01 30.92 3h3p s GLN 91 CO -0.00 0.55 1.18 2.48 -2.54 0.00 0.00 175.29 176.96 3h3p n TYR 92 N 2.55 0.28 0.39 9.60 0.18 0.23 -3.11 117.16 127.28 3h3p n TYR 92 Ca -0.18 -1.05 0.13 0.00 1.88 0.00 0.00 57.90 58.69 3h3p n TYR 92 Cb 0.53 -0.20 0.35 0.00 -0.38 0.00 0.00 39.34 39.64 3h3p n TYR 92 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 3h3p h GLY 93 N 1.23 0.00 -2.67 -7.48 0.00 -1.75 -3.45 103.07 88.95 3h3p h GLY 93 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.93 3h3p h GLY 93 CO 0.12 0.00 -0.65 -0.86 0.00 0.00 0.00 176.54 175.14 3h3p s GLN 94 N -3.24 1.13 0.32 4.80 -2.07 -1.26 -4.44 119.66 114.89 3h3p s GLN 94 Ca 0.07 -1.55 0.09 0.00 -1.82 0.00 0.00 55.36 52.15 3h3p s GLN 94 Cb 0.08 -0.18 0.90 0.00 -1.09 0.00 0.00 33.01 32.72 3h3p s GLN 94 CO 0.60 -0.18 1.68 0.77 -1.32 0.00 0.00 175.29 176.84 3h3p h SER 95 N 2.67 0.39 -2.46 12.60 0.02 -1.99 -3.31 113.55 121.47 3h3p h SER 95 Ca -0.37 0.18 -0.61 0.00 -0.84 0.00 0.00 61.79 60.15 3h3p h SER 95 Cb 1.21 0.15 -0.13 0.00 0.14 0.00 0.00 62.40 63.77 3h3p h SER 95 CO 0.62 -0.08 0.77 -0.22 -1.14 0.00 0.00 176.83 176.78 3h3p s LEU 96 N -10.48 4.06 0.17 5.07 2.96 -1.26 -5.01 118.68 114.19 3h3p s LEU 96 Ca -0.11 -0.97 -0.20 0.00 -0.22 0.00 0.00 54.13 52.63 3h3p s LEU 96 Cb 0.28 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 44.43 3h3p s LEU 96 CO 0.78 -1.52 0.68 -0.55 -1.32 0.00 0.00 176.35 174.42 3h3p s SER 97 N 3.78 7.10 0.08 3.68 0.15 -1.25 -4.78 113.70 122.45 3h3p s SER 97 Ca 0.28 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.35 3h3p s SER 97 Cb -0.12 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 3h3p s SER 97 CO 0.08 0.13 -0.09 0.42 1.20 0.00 0.00 173.24 174.98 3h3p s THR 98 N -1.35 0.80 0.18 6.45 -4.23 -1.18 -5.02 115.64 111.29 3h3p s THR 98 Ca 0.38 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 3h3p s THR 98 Cb -0.18 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 3h3p s THR 98 CO 0.21 -0.52 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.39 3h3p s PHE 99 N -2.18 2.77 0.71 3.99 0.40 -1.26 -1.92 117.98 120.48 3h3p s PHE 99 Ca 0.01 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 3h3p s PHE 99 Cb -0.04 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.17 3h3p s PHE 99 CO -0.00 0.52 1.10 0.20 0.70 0.00 0.00 175.22 177.74 3h3p s GLY 100 N -2.97 1.62 0.22 4.36 0.00 -0.29 -4.54 107.32 105.72 3h3p s GLY 100 Ca 0.27 -0.38 0.24 0.00 0.00 0.00 0.00 44.72 44.85 3h3p s GLY 100 CO 0.18 -0.01 1.73 0.61 0.00 0.00 0.00 173.10 175.61 3h3p n GLN 101 N -3.02 0.20 0.00 2.90 0.00 -1.25 -4.72 117.38 111.49 3h3p n GLN 101 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 57.00 57.40 3h3p n GLN 101 Cb 0.58 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 28.99 3h3p n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h3p n GLY 102 N 0.46 0.71 3.09 2.61 0.00 -1.26 -5.01 105.19 105.79 3h3p n GLY 102 Ca 0.03 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 3h3p n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3p s THR 103 N -2.84 1.89 -0.39 2.61 2.01 -0.58 -4.82 115.64 113.52 3h3p s THR 103 Ca 0.00 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 3h3p s THR 103 Cb 0.00 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.80 3h3p s THR 103 CO 0.00 0.51 1.15 -1.59 -0.69 0.00 0.00 174.62 174.00 3h3p s LYS 104 N 1.32 3.88 -0.53 4.92 -2.85 -0.67 -1.93 119.74 123.88 3h3p s LYS 104 Ca 0.04 0.87 -0.16 0.00 -1.00 0.00 0.00 55.97 55.72 3h3p s LYS 104 Cb -0.13 -3.84 0.12 0.00 -2.06 0.00 0.00 37.83 31.92 3h3p s LYS 104 CO -0.11 -1.17 0.48 0.08 0.10 0.00 0.00 175.35 174.73 3h3p s VAL 105 N 4.18 5.21 0.13 1.79 1.01 -0.72 -1.36 120.40 130.63 3h3p s VAL 105 Ca 0.49 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3h3p s VAL 105 Cb -0.11 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3h3p s VAL 105 CO 0.24 -0.81 -0.12 -1.83 0.00 0.00 0.00 175.10 172.58 3h3p s GLU 106 N 1.63 2.01 -0.09 2.72 -1.05 -0.02 -3.36 118.70 120.54 3h3p s GLU 106 Ca 0.03 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 3h3p s GLU 106 Cb -0.29 -2.22 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 3h3p s GLU 106 CO 0.04 0.48 1.46 0.54 0.95 0.00 0.00 175.26 178.73 3h3p s VAL 107 N -1.30 3.90 0.34 1.83 0.11 -1.26 -2.69 120.40 121.33 3h3p s VAL 107 Ca 0.21 1.11 -0.22 0.00 -2.93 0.00 0.00 61.98 60.15 3h3p s VAL 107 Cb -0.10 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 30.93 3h3p s VAL 107 CO 0.13 -0.09 0.88 -1.59 -3.33 0.00 0.00 175.10 171.11 3h3p s LYS 108 N 3.60 4.33 0.00 1.54 0.00 -1.01 -4.89 119.74 123.31 3h3p s LYS 108 Ca 0.64 1.09 0.00 0.00 0.00 0.00 0.00 55.97 57.71 3h3p s LYS 108 Cb -0.28 -2.55 0.00 0.00 0.00 0.00 0.00 37.83 35.00 3h3p s LYS 108 CO 0.23 0.18 0.00 -0.11 0.00 0.00 0.00 175.35 175.64