#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ARG 2 N 0.00 0.00 -0.00 1.43 5.12 -1.26 -3.35 116.66 118.60 3i1n n ARG 2 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 3i1n n ARG 2 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 3i1n n ARG 2 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3i1n h VAL 3 N 0.00 0.95 -0.48 1.55 3.04 -1.96 -3.30 116.25 116.06 3i1n h VAL 3 Ca 0.00 -2.37 -0.12 0.00 -1.01 0.00 0.00 66.70 63.20 3i1n h VAL 3 Cb 0.00 2.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 3i1n h VAL 3 CO 0.00 0.70 -0.18 0.00 -1.01 0.00 0.00 177.57 177.09 3i1n h ALA 4 N -0.07 0.67 0.00 3.17 0.00 -1.79 -2.62 119.26 118.62 3i1n h ALA 4 Ca -0.33 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3i1n h ALA 4 Cb 1.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i1n h ALA 4 CO 0.04 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.55 3i1n n LYS 5 N -4.16 0.53 -3.37 0.00 5.02 -1.26 -4.11 118.16 110.81 3i1n n LYS 5 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3i1n n LYS 5 Cb 0.43 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3i1n n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n s ALA 6 N -2.00 3.60 0.00 7.82 0.00 -0.99 -4.94 121.76 125.26 3i1n s ALA 6 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3i1n s ALA 6 Cb 0.06 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3i1n s ALA 6 CO 0.10 0.45 0.00 -0.35 0.00 0.00 0.00 175.76 175.96 3i1n n PRO 7 N 1.16 0.00 0.00 0.00 -0.04 -1.26 -4.71 135.00 130.15 3i1n n PRO 7 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3i1n n PRO 7 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3i1n n PRO 7 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3i1n n VAL 8 N 0.00 0.00 -2.16 0.52 3.14 -1.26 -4.52 118.33 114.05 3i1n n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i1n n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i1n n VAL 8 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3i1n n VAL 9 N 0.00-11.95 -3.32 1.55 3.14 -1.26 -4.89 118.33 101.60 3i1n n VAL 9 Ca 0.00 2.95 -0.47 0.00 -2.96 0.00 0.00 64.34 63.87 3i1n n VAL 9 Cb 0.00 -5.19 -0.03 0.00 -1.06 0.00 0.00 33.84 27.57 3i1n n VAL 9 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3i1n s VAL 10 N -0.49 5.51 0.20 1.55 -7.23 0.16 -4.91 120.40 115.18 3i1n s VAL 10 Ca 0.00 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.64 3i1n s VAL 10 Cb 0.00 -4.44 -0.16 0.00 0.56 0.00 0.00 36.38 32.34 3i1n s VAL 10 CO 0.00 -1.00 0.87 -2.65 -0.31 0.00 0.00 175.10 172.01 3i1n n PRO 11 N 4.31 0.64 -1.67 4.82 -0.02 -1.26 -4.75 135.00 137.07 3i1n n PRO 11 Ca 0.07 0.23 -0.51 0.00 -2.02 0.00 0.00 63.50 61.27 3i1n n PRO 11 Cb 0.45 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 3i1n n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1n n ALA 12 N 0.59 0.39 0.00 3.55 0.00 -1.26 -2.04 120.51 121.74 3i1n n ALA 12 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3i1n n ALA 12 Cb 0.25 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3i1n n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 13 N 3.80 1.04 3.85 0.00 0.00 -1.26 -5.06 105.19 107.55 3i1n n GLY 13 Ca 0.22 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3i1n n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1n s VAL 14 N -0.55 4.60 -0.12 1.61 -7.23 -0.87 -4.44 120.40 113.40 3i1n s VAL 14 Ca 0.00 1.07 -0.08 0.00 -1.81 0.00 0.00 61.98 61.16 3i1n s VAL 14 Cb 0.00 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 3i1n s VAL 14 CO 0.00 -0.62 -0.15 -0.90 -0.31 0.00 0.00 175.10 173.12 3i1n n ASP 15 N -1.45 1.55 -2.66 4.85 5.68 -0.91 -4.99 116.55 118.63 3i1n n ASP 15 Ca 0.05 0.59 -0.01 0.00 -0.50 0.00 0.00 54.79 54.92 3i1n n ASP 15 Cb 0.54 -0.82 -0.01 0.00 -1.14 0.00 0.00 41.12 39.69 3i1n n ASP 15 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3i1n n VAL 16 N -4.28-12.05 -3.89 2.12 0.31 -1.20 -5.00 118.33 94.34 3i1n n VAL 16 Ca -0.06 2.03 -0.34 0.00 -0.01 0.00 0.00 64.34 65.95 3i1n n VAL 16 Cb 0.23 -6.79 -0.13 0.00 -0.91 0.00 0.00 33.84 26.23 3i1n n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i1n s LYS 17 N -1.38 2.06 -0.43 5.55 2.20 0.45 -4.94 119.74 123.25 3i1n s LYS 17 Ca -0.07 -1.61 -0.13 0.00 -0.36 0.00 0.00 55.97 53.81 3i1n s LYS 17 Cb 0.00 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 33.06 3i1n s LYS 17 CO 0.77 -0.86 0.31 -1.50 -0.36 0.00 0.00 175.35 173.71 3i1n s ILE 18 N 1.13 4.82 -0.63 5.43 2.07 -1.26 -0.61 121.20 132.16 3i1n s ILE 18 Ca 0.03 -1.08 -0.11 0.00 -1.41 0.00 0.00 60.65 58.08 3i1n s ILE 18 Cb -0.21 -3.84 0.16 0.00 0.13 0.00 0.00 42.46 38.70 3i1n s ILE 18 CO -0.04 -0.47 0.53 0.21 -1.91 0.00 0.00 174.94 173.27 3i1n s ASN 19 N 2.17 6.06 0.32 4.50 2.47 -1.06 -4.91 114.94 124.49 3i1n s ASN 19 Ca 0.03 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 51.00 3i1n s ASN 19 Cb -0.22 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 3i1n s ASN 19 CO 0.06 -0.63 0.00 0.61 -3.72 0.00 0.00 177.10 173.42 3i1n n GLY 20 N 4.41 0.55 0.23 1.21 0.00 -1.26 -1.77 105.19 108.56 3i1n n GLY 20 Ca 0.01 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.62 3i1n n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1n n GLN 21 N 0.00 1.00 -3.77 1.61 -0.06 -1.26 -4.93 117.38 109.98 3i1n n GLN 21 Ca 0.00 -1.18 -0.36 0.00 -2.00 0.00 0.00 57.00 53.46 3i1n n GLN 21 Cb 0.00 -1.10 -0.11 0.00 -4.06 0.00 0.00 30.24 24.97 3i1n n GLN 21 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3i1n s VAL 22 N -0.65 3.41 0.11 1.69 1.01 -0.73 -2.90 120.40 122.34 3i1n s VAL 22 Ca 0.08 -2.54 -0.30 0.00 0.00 0.00 0.00 61.98 59.22 3i1n s VAL 22 Cb 0.05 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 3i1n s VAL 22 CO 0.06 -0.78 1.00 -0.63 0.00 0.00 0.00 175.10 174.75 3i1n s ILE 23 N 0.52 4.40 -0.14 2.22 1.09 -0.98 -2.55 121.20 125.76 3i1n s ILE 23 Ca 0.13 1.96 0.02 0.00 -1.10 0.00 0.00 60.65 61.66 3i1n s ILE 23 Cb -0.22 -4.25 0.01 0.00 -1.06 0.00 0.00 42.46 36.94 3i1n s ILE 23 CO -0.04 0.29 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.00 3i1n s THR 24 N 0.09 1.91 -0.17 2.92 2.01 0.22 -1.95 115.64 120.67 3i1n s THR 24 Ca 0.48 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 3i1n s THR 24 Cb -0.24 -1.70 0.04 0.00 0.01 0.00 0.00 72.50 70.61 3i1n s THR 24 CO 0.31 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.08 3i1n s ILE 25 N 0.95 1.09 -0.08 1.82 1.01 -0.06 -0.41 121.20 125.53 3i1n s ILE 25 Ca -0.05 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3i1n s ILE 25 Cb -0.15 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3i1n s ILE 25 CO -0.04 0.07 -0.14 -1.59 0.00 0.00 0.00 174.94 173.25 3i1n s LYS 26 N 1.63 1.94 0.00 2.79 -2.85 -1.26 -3.09 119.74 118.90 3i1n s LYS 26 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 3i1n s LYS 26 Cb -0.16 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.01 3i1n s LYS 26 CO -0.07 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.80 3i1n n GLY 27 N 3.90 5.30 0.00 0.59 0.00 -1.26 -2.14 105.19 111.58 3i1n n GLY 27 Ca -0.21 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3i1n n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1n n LYS 28 N 0.00 0.00 0.00 1.61 4.81 -1.10 -4.46 118.16 119.02 3i1n n LYS 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i1n n LYS 28 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i1n n LYS 28 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3i1n n ASN 29 N -0.36 0.00 -2.60 3.14 0.23 -0.91 -5.04 115.26 109.72 3i1n n ASN 29 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.00 3i1n n ASN 29 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 3i1n n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1n n GLY 30 N 5.00 -5.19 3.28 4.83 0.00 -1.26 -4.59 105.19 107.26 3i1n n GLY 30 Ca 0.00 1.71 -0.20 0.00 0.00 0.00 0.00 46.02 47.53 3i1n n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1n n GLU 31 N 1.77 0.01 0.00 1.61 4.07 -1.26 -4.18 120.64 122.66 3i1n n GLU 31 Ca -0.40 -0.63 0.00 0.00 -0.06 0.00 0.00 57.16 56.07 3i1n n GLU 31 Cb 0.62 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 3i1n n GLU 31 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3i1n n LEU 32 N 8.00 0.00 0.00 4.31 4.32 -1.26 -4.88 117.00 127.49 3i1n n LEU 32 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 3i1n n LEU 32 Cb 0.38 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 3i1n n LEU 32 CO 0.71 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 177.23 3i1n n THR 33 N 0.00 0.00 -3.83 -5.08 -2.24 -1.18 -4.69 114.28 97.26 3i1n n THR 33 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3i1n n THR 33 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 3i1n n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1n s ARG 34 N -4.52 -0.00 0.19 -0.78 3.03 -1.26 -0.88 118.95 114.73 3i1n s ARG 34 Ca 0.00 0.08 -0.00 0.00 2.03 0.00 0.00 55.73 57.84 3i1n s ARG 34 Cb 0.00 -0.09 -0.04 0.00 -1.03 0.00 0.00 34.95 33.79 3i1n s ARG 34 CO 0.00 -0.06 0.09 0.95 -1.13 0.00 0.00 175.30 175.15 3i1n s THR 35 N 0.39 0.25 0.16 4.99 -4.23 -0.82 -5.00 115.64 111.39 3i1n s THR 35 Ca -0.03 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 3i1n s THR 35 Cb -0.05 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 3i1n s THR 35 CO -0.01 -0.17 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.01 3i1n s LEU 36 N -3.17 2.89 0.00 4.79 2.01 -1.26 -2.31 118.68 121.62 3i1n s LEU 36 Ca 0.33 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.90 3i1n s LEU 36 Cb 0.07 -1.62 0.00 0.00 0.01 0.00 0.00 46.19 44.65 3i1n s LEU 36 CO 0.09 0.13 0.00 0.59 1.01 0.00 0.00 176.35 178.17 3i1n n ASN 37 N 0.28 1.36 0.15 2.29 4.13 -1.14 -5.03 115.26 117.30 3i1n n ASN 37 Ca -0.12 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.87 3i1n n ASN 37 Cb 0.55 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 3i1n n ASN 37 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3i1n n ASP 38 N -0.43 -2.61 -0.67 6.41 5.75 -1.26 -4.95 116.55 118.78 3i1n n ASP 38 Ca 0.00 0.58 0.05 0.00 -0.01 0.00 0.00 54.79 55.41 3i1n n ASP 38 Cb 0.00 2.59 0.20 0.00 -1.03 0.00 0.00 41.12 42.88 3i1n n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i1n n ALA 39 N -3.12 3.26 -2.86 2.12 0.00 -1.26 -4.98 120.51 113.67 3i1n n ALA 39 Ca 0.00 -2.82 -0.26 0.00 0.00 0.00 0.00 53.44 50.36 3i1n n ALA 39 Cb 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 3i1n n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1n s VAL 40 N -3.04 1.48 -0.12 0.00 0.11 -1.26 -3.69 120.40 113.89 3i1n s VAL 40 Ca 0.39 -0.75 -0.04 0.00 -2.93 0.00 0.00 61.98 58.66 3i1n s VAL 40 Cb 0.35 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3i1n s VAL 40 CO 0.02 0.42 0.02 -1.83 -3.33 0.00 0.00 175.10 170.40 3i1n s GLU 41 N -0.01 3.35 0.22 1.54 -1.05 -0.76 -4.99 118.70 117.00 3i1n s GLU 41 Ca -0.03 -0.39 0.10 0.00 -0.15 0.00 0.00 54.97 54.50 3i1n s GLU 41 Cb -0.11 -2.93 -0.04 0.00 -0.44 0.00 0.00 34.13 30.60 3i1n s GLU 41 CO 0.02 0.54 -0.11 0.54 0.95 0.00 0.00 175.26 177.20 3i1n s VAL 42 N -0.42 3.03 -0.07 1.83 0.11 -1.26 -2.40 120.40 121.21 3i1n s VAL 42 Ca 0.08 -1.88 -0.03 0.00 -2.93 0.00 0.00 61.98 57.22 3i1n s VAL 42 Cb -0.12 -2.54 0.04 0.00 -1.53 0.00 0.00 36.38 32.23 3i1n s VAL 42 CO 0.02 -0.22 0.16 -0.54 -3.33 0.00 0.00 175.10 171.19 3i1n s LYS 43 N -3.11 0.11 0.00 1.54 1.02 -0.94 -5.03 119.74 113.34 3i1n s LYS 43 Ca 0.27 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.64 3i1n s LYS 43 Cb -0.08 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 3i1n s LYS 43 CO 0.15 -0.16 0.00 1.58 -0.92 0.00 0.00 175.35 176.01 3i1n n HIS 44 N 4.15 0.00 -1.51 3.18 -0.00 -1.26 -2.88 115.22 116.90 3i1n n HIS 44 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.46 3i1n n HIS 44 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3i1n n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1n n ALA 45 N -3.00 -1.56 -0.26 1.57 0.00 -1.26 -4.47 120.51 111.53 3i1n n ALA 45 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3i1n n ALA 45 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3i1n n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1n n ASP 46 N -0.55 -0.83 -2.03 0.00 -0.08 -1.26 -3.69 116.55 108.11 3i1n n ASP 46 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 3i1n n ASP 46 Cb 0.00 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.62 3i1n n ASP 46 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3i1n n ASN 47 N -0.75 4.31 -3.78 1.67 3.02 -1.26 -4.97 115.26 113.50 3i1n n ASN 47 Ca 0.00 -3.69 -0.16 0.00 -0.03 0.00 0.00 54.58 50.70 3i1n n ASN 47 Cb 0.00 -0.81 -0.09 0.00 -0.61 0.00 0.00 39.78 38.27 3i1n n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i1n s THR 48 N -3.65 0.03 0.12 3.41 -4.23 -1.24 0.37 115.64 110.45 3i1n s THR 48 Ca 0.56 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3i1n s THR 48 Cb 0.47 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 3i1n s THR 48 CO 0.06 0.00 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.18 3i1n s LEU 49 N -3.28 2.35 -0.01 4.79 1.43 -1.26 -4.35 118.68 118.35 3i1n s LEU 49 Ca 0.40 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3i1n s LEU 49 Cb 0.05 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.42 3i1n s LEU 49 CO 0.20 0.02 0.02 0.42 0.23 0.00 0.00 176.35 177.24 3i1n s THR 50 N -1.50 -0.01 0.30 5.49 -4.23 -1.14 -4.13 115.64 110.42 3i1n s THR 50 Ca 0.10 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.75 3i1n s THR 50 Cb -0.08 -0.04 -0.05 0.00 1.34 0.00 0.00 72.50 73.66 3i1n s THR 50 CO 0.05 0.02 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.65 3i1n s PHE 51 N 0.21 2.38 -0.18 3.99 0.08 -1.26 -2.22 117.98 120.99 3i1n s PHE 51 Ca -0.02 -0.37 -0.35 0.00 0.12 0.00 0.00 56.93 56.32 3i1n s PHE 51 Cb -0.02 -1.15 0.14 0.00 -0.57 0.00 0.00 43.02 41.42 3i1n s PHE 51 CO -0.01 0.66 1.22 0.20 -0.10 0.00 0.00 175.22 177.20 3i1n s GLY 52 N -3.57 -0.30 0.00 4.36 0.00 -1.01 -4.62 107.32 102.18 3i1n s GLY 52 Ca 0.31 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.55 3i1n s GLY 52 CO 0.16 0.49 0.00 -1.55 0.00 0.00 0.00 173.10 172.21 3i1n n PRO 53 N -0.13 1.55 -2.78 2.90 -0.04 -1.26 -1.82 135.00 133.42 3i1n n PRO 53 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i1n n PRO 53 Cb 0.59 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.06 3i1n n PRO 53 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3i1n s ARG 54 N 0.00 0.28 0.76 0.54 6.06 -1.24 -3.63 118.95 121.72 3i1n s ARG 54 Ca 0.00 -0.16 -0.16 0.00 -2.50 0.00 0.00 55.73 52.90 3i1n s ARG 54 Cb 0.00 0.02 -0.09 0.00 0.06 0.00 0.00 34.95 34.94 3i1n s ARG 54 CO 0.00 -0.39 0.00 -0.25 -2.50 0.00 0.00 175.30 172.16 3i1n n ASP 55 N 3.43 -3.18 0.00 -2.12 9.92 -1.26 -1.68 116.55 121.66 3i1n n ASP 55 Ca 0.08 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.82 3i1n n ASP 55 Cb 0.63 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3i1n n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1n n GLY 56 N 2.33 2.57 3.21 0.44 0.00 -1.26 -5.02 105.19 107.46 3i1n n GLY 56 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3i1n n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1n s TYR 57 N -2.30 2.53 -0.04 1.61 4.12 -0.68 -5.04 117.35 117.55 3i1n s TYR 57 Ca 0.00 -1.06 -0.04 0.00 0.02 0.00 0.00 57.07 55.99 3i1n s TYR 57 Cb 0.00 -1.70 -0.28 0.00 -1.52 0.00 0.00 41.96 38.47 3i1n s TYR 57 CO 0.00 -0.44 0.70 0.00 0.02 0.00 0.00 175.55 175.83 3i1n h ALA 58 N 6.80 0.33 0.00 3.71 0.00 -1.95 -3.31 119.26 124.84 3i1n h ALA 58 Ca -0.21 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.49 3i1n h ALA 58 Cb 1.23 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3i1n h ALA 58 CO 0.48 1.20 0.00 -0.25 0.00 0.00 0.00 179.25 180.68 3i1n n ASP 59 N -3.45 0.26 -3.89 0.00 9.92 -1.26 -4.80 116.55 113.33 3i1n n ASP 59 Ca -0.21 0.57 -0.39 0.00 -0.53 0.00 0.00 54.79 54.23 3i1n n ASP 59 Cb 1.05 -0.62 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 3i1n n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1n n GLY 60 N -0.28 -2.36 4.16 0.44 0.00 -1.25 0.28 105.19 106.18 3i1n n GLY 60 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i1n n GLY 60 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i1n n TRP 61 N -0.80 0.00 -0.18 1.61 5.03 -1.26 -4.41 117.44 117.42 3i1n n TRP 61 Ca 0.11 0.00 -0.05 0.00 3.03 0.00 0.00 57.50 60.59 3i1n n TRP 61 Cb 0.34 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.58 3i1n n TRP 61 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3i1n n ALA 62 N 0.00 -0.28 -0.26 6.99 0.00 -0.47 0.35 120.51 126.84 3i1n n ALA 62 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.84 3i1n n ALA 62 Cb 0.00 0.18 0.16 0.00 0.00 0.00 0.00 19.45 19.79 3i1n n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i1n h GLN 63 N 0.00 0.56 -0.24 0.00 1.08 -0.38 0.53 115.11 116.65 3i1n h GLN 63 Ca 0.07 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3i1n h GLN 63 Cb 0.18 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3i1n h GLN 63 CO -0.40 0.37 -0.00 0.00 -0.95 0.00 0.00 178.83 177.84 3i1n h ALA 64 N 1.48 1.56 -0.04 3.87 0.00 -0.26 -2.00 119.26 123.87 3i1n h ALA 64 Ca 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i1n h ALA 64 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i1n h ALA 64 CO -0.32 0.32 0.01 0.78 0.00 0.00 0.00 179.25 180.05 3i1n h GLY 65 N 0.65 0.07 1.17 0.00 0.00 0.83 0.32 103.07 106.11 3i1n h GLY 65 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3i1n h GLY 65 CO 0.01 0.04 0.01 -0.91 0.00 0.00 0.00 176.54 175.68 3i1n h THR 66 N -0.14 1.26 -0.53 4.70 1.35 -1.19 -1.69 112.91 116.67 3i1n h THR 66 Ca 0.01 -1.11 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 3i1n h THR 66 Cb 0.23 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3i1n h THR 66 CO -0.00 0.40 0.08 0.00 -0.25 0.00 0.00 175.52 175.76 3i1n h ALA 67 N 1.07 0.70 -0.20 6.62 0.00 -1.10 0.51 119.26 126.86 3i1n h ALA 67 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3i1n h ALA 67 Cb 0.53 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3i1n h ALA 67 CO 0.03 0.44 -0.53 -0.09 0.00 0.00 0.00 179.25 179.10 3i1n h ARG 68 N 0.76 -0.51 -0.90 0.00 1.12 -0.62 0.19 114.38 114.42 3i1n h ARG 68 Ca 0.16 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.06 3i1n h ARG 68 Cb 0.41 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 3i1n h ARG 68 CO 0.01 -0.34 0.55 0.00 -3.11 0.00 0.00 179.97 177.08 3i1n h ALA 69 N -0.15 1.14 0.46 2.80 0.00 -0.48 0.56 119.26 123.59 3i1n h ALA 69 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3i1n h ALA 69 Cb 0.66 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i1n h ALA 69 CO -0.47 0.59 -0.22 -0.07 0.00 0.00 0.00 179.25 179.08 3i1n h LEU 70 N 1.23 -0.53 -2.27 0.00 3.38 0.41 -1.84 115.31 115.70 3i1n h LEU 70 Ca 0.32 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3i1n h LEU 70 Cb -0.06 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i1n h LEU 70 CO -0.06 -0.19 0.09 -0.07 0.09 0.00 0.00 178.44 178.29 3i1n h LEU 71 N -0.89 0.00 0.53 1.67 -0.00 -0.37 0.88 115.31 117.14 3i1n h LEU 71 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 3i1n h LEU 71 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.24 3i1n h LEU 71 CO 0.10 0.00 -0.25 -1.13 -0.00 0.00 0.00 178.44 177.16 3i1n h ASN 72 N 0.00 -0.60 0.18 -0.43 -0.00 -0.67 -2.73 115.58 111.33 3i1n h ASN 72 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 3i1n h ASN 72 Cb 0.22 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 3i1n h ASN 72 CO -0.00 -0.34 0.00 0.77 -0.00 0.00 0.00 177.43 177.86 3i1n h SER 73 N -0.89 0.00 0.28 1.15 4.64 -0.45 -1.30 113.55 116.98 3i1n h SER 73 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3i1n h SER 73 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3i1n h SER 73 CO 0.12 0.00 -0.13 0.24 -0.87 0.00 0.00 176.83 176.18 3i1n h MET 74 N 0.00 -0.36 0.00 4.77 2.86 -0.87 -2.27 114.93 119.06 3i1n h MET 74 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3i1n h MET 74 Cb 0.09 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3i1n h MET 74 CO 0.00 -0.24 0.00 0.28 1.06 0.00 0.00 176.91 178.01 3i1n n VAL 75 N -3.74 0.00 -0.37 -2.22 0.31 -0.75 0.35 118.33 111.91 3i1n n VAL 75 Ca -0.05 1.39 0.35 0.00 -0.01 0.00 0.00 64.34 66.02 3i1n n VAL 75 Cb 0.15 -1.92 0.61 0.00 -0.91 0.00 0.00 33.84 31.77 3i1n n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1n n ILE 76 N -2.52 -0.34 0.27 2.52 3.06 -0.57 -1.13 119.36 120.66 3i1n n ILE 76 Ca 0.00 1.87 -0.15 0.00 -2.50 0.00 0.00 62.75 61.98 3i1n n ILE 76 Cb 0.00 -3.06 -0.08 0.00 0.54 0.00 0.00 39.64 37.05 3i1n n ILE 76 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3i1n h GLY 77 N 0.00 -1.14 0.88 4.50 0.00 0.52 0.66 103.07 108.49 3i1n h GLY 77 Ca 0.84 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.67 3i1n h GLY 77 CO -0.62 -0.36 0.00 3.33 0.00 0.00 0.00 176.54 178.89 3i1n n VAL 78 N -4.83 0.00 0.00 4.60 0.24 -0.28 -1.80 118.33 116.25 3i1n n VAL 78 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3i1n n VAL 78 Cb 0.38 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 3i1n n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3i1n n THR 79 N -0.94 0.00 -0.29 3.34 -1.04 -0.90 -2.15 114.28 112.31 3i1n n THR 79 Ca 0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.05 3i1n n THR 79 Cb 0.02 -0.24 0.11 0.00 -1.82 0.00 0.00 70.33 68.41 3i1n n THR 79 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3i1n h GLU 80 N 0.00 0.91 0.00 -2.82 4.22 -1.05 -3.43 114.58 112.41 3i1n h GLU 80 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 3i1n h GLU 80 Cb 0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3i1n h GLU 80 CO 0.00 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 177.84 3i1n n GLY 81 N -1.32 -1.49 3.61 1.92 0.00 -0.75 -5.03 105.19 102.14 3i1n n GLY 81 Ca 0.10 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3i1n n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1n s PHE 82 N -2.13 2.79 0.00 1.61 0.08 0.92 -4.87 117.98 116.38 3i1n s PHE 82 Ca 0.00 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3i1n s PHE 82 Cb 0.00 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 3i1n s PHE 82 CO 0.00 0.46 0.00 0.25 -0.10 0.00 0.00 175.22 175.83 3i1n n THR 83 N 0.43 0.00 0.00 0.64 -2.24 -1.26 -3.30 114.28 108.55 3i1n n THR 83 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3i1n n THR 83 Cb 0.53 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3i1n n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i1n n LYS 84 N -0.64 0.00 -0.63 -0.78 0.00 -1.26 -4.41 118.16 110.44 3i1n n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1n n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i1n n LYS 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1n n LYS 85 N 0.00 0.00 -4.38 -1.58 5.02 -1.23 -4.91 118.16 111.08 3i1n n LYS 85 Ca 0.00 0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 56.30 3i1n n LYS 85 Cb 0.00 -0.36 -0.12 0.00 -0.02 0.00 0.00 35.03 34.53 3i1n n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i1n s LEU 86 N 0.00 2.42 -0.04 -0.35 1.02 0.84 -4.39 118.68 118.18 3i1n s LEU 86 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 54.13 53.32 3i1n s LEU 86 Cb 0.00 -1.02 0.02 0.00 0.02 0.00 0.00 46.19 45.21 3i1n s LEU 86 CO 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 176.35 176.40 3i1n s GLN 87 N -2.62 0.66 0.42 1.70 -2.07 -1.22 -0.73 119.66 115.80 3i1n s GLN 87 Ca 0.17 -0.06 -0.21 0.00 -1.82 0.00 0.00 55.36 53.44 3i1n s GLN 87 Cb -0.07 -0.71 -0.11 0.00 -1.09 0.00 0.00 33.01 31.03 3i1n s GLN 87 CO 0.08 -0.08 0.94 -0.51 -1.32 0.00 0.00 175.29 174.40 3i1n s LEU 88 N 0.86 3.98 -0.07 2.60 1.43 -0.19 -2.44 118.68 124.85 3i1n s LEU 88 Ca -0.11 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 3i1n s LEU 88 Cb -0.14 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.65 3i1n s LEU 88 CO -0.00 -0.33 0.15 -0.69 0.23 0.00 0.00 176.35 175.70 3i1n s VAL 89 N -2.13 -0.15 0.00 -1.59 1.01 -0.35 -4.92 120.40 112.27 3i1n s VAL 89 Ca 0.61 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3i1n s VAL 89 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3i1n s VAL 89 CO 0.14 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3i1n n GLY 90 N 4.77 4.49 2.32 4.51 0.00 -1.26 -0.23 105.19 119.79 3i1n n GLY 90 Ca -0.16 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 3i1n n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1n n VAL 91 N -1.34 0.00 -3.51 1.61 3.14 -1.26 -2.15 118.33 114.82 3i1n n VAL 91 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 3i1n n VAL 91 Cb 0.00 -0.21 0.07 0.00 -1.06 0.00 0.00 33.84 32.64 3i1n n VAL 91 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1n n GLY 92 N 1.98 -0.37 0.12 7.55 0.00 -1.26 -4.95 105.19 108.26 3i1n n GLY 92 Ca 0.17 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 3i1n n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1n n TYR 93 N -4.14 0.19 -1.53 1.61 0.53 -0.92 -4.62 117.16 108.28 3i1n n TYR 93 Ca -0.28 0.08 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 3i1n n TYR 93 Cb 0.67 -0.86 0.00 0.00 -1.03 0.00 0.00 39.34 38.12 3i1n n TYR 93 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i1n n ARG 94 N -4.36 -0.01 -4.29 -0.72 0.63 -1.26 -3.20 116.66 103.45 3i1n n ARG 94 Ca -0.38 0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.27 3i1n n ARG 94 Cb 0.72 -0.51 -0.04 0.00 0.45 0.00 0.00 32.46 33.08 3i1n n ARG 94 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1n s ALA 95 N -0.00 4.31 0.00 5.13 0.00 0.36 -1.80 121.76 129.76 3i1n s ALA 95 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3i1n s ALA 95 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3i1n s ALA 95 CO 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.51 3i1n n ALA 96 N -1.54 3.00 -1.62 0.00 0.00 0.21 -4.67 120.51 115.89 3i1n n ALA 96 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i1n n ALA 96 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.10 3i1n n ALA 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1n n VAL 97 N -2.50 -6.85 -3.15 0.00 0.31 -1.25 -4.48 118.33 100.40 3i1n n VAL 97 Ca 0.00 1.31 -0.24 0.00 -0.01 0.00 0.00 64.34 65.40 3i1n n VAL 97 Cb 0.00 -4.37 -0.05 0.00 -0.91 0.00 0.00 33.84 28.51 3i1n n VAL 97 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1n n LYS 98 N 0.76 1.92 0.00 5.55 5.02 -0.02 -4.87 118.16 126.52 3i1n n LYS 98 Ca -0.02 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.21 3i1n n LYS 98 Cb 0.04 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 3i1n n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 99 N 0.42 1.48 0.29 0.72 0.00 -1.26 -4.40 105.19 102.44 3i1n n GLY 99 Ca 0.27 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.55 3i1n n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i1n n ASN 100 N 0.24 1.42 -3.86 1.61 0.23 -1.26 -4.88 115.26 108.76 3i1n n ASN 100 Ca 0.00 -2.69 -0.27 0.00 -0.53 0.00 0.00 54.58 51.09 3i1n n ASN 100 Cb 0.00 -0.35 -0.17 0.00 -2.08 0.00 0.00 39.78 37.19 3i1n n ASN 100 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3i1n s VAL 101 N -1.76 0.94 -0.47 3.53 -7.23 -1.26 -2.04 120.40 112.11 3i1n s VAL 101 Ca 0.20 -0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 3i1n s VAL 101 Cb 0.18 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 36.05 3i1n s VAL 101 CO 0.01 0.18 1.04 -0.63 -0.31 0.00 0.00 175.10 175.39 3i1n s ILE 102 N 1.72 4.33 -0.09 -0.62 1.01 0.37 -0.84 121.20 127.08 3i1n s ILE 102 Ca 0.02 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.40 3i1n s ILE 102 Cb -0.14 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.78 3i1n s ILE 102 CO -0.08 -0.93 0.96 0.21 0.00 0.00 0.00 174.94 175.10 3i1n s ASN 103 N 2.36 7.21 -0.06 3.58 3.84 -1.26 -0.74 114.94 129.86 3i1n s ASN 103 Ca 0.43 1.48 0.04 0.00 0.21 0.00 0.00 52.86 55.02 3i1n s ASN 103 Cb -0.08 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 3i1n s ASN 103 CO 0.29 -0.39 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.27 3i1n s LEU 104 N 1.79 1.92 -0.44 3.21 1.43 -1.26 0.65 118.68 125.97 3i1n s LEU 104 Ca 0.47 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3i1n s LEU 104 Cb -0.18 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.02 3i1n s LEU 104 CO 0.19 0.14 0.31 -0.55 0.23 0.00 0.00 176.35 176.67 3i1n s SER 105 N 0.23 5.73 -0.38 2.29 0.15 -0.74 -1.78 113.70 119.19 3i1n s SER 105 Ca -0.10 -1.63 0.08 0.00 0.70 0.00 0.00 55.95 55.00 3i1n s SER 105 Cb -0.15 -2.02 0.44 0.00 -1.71 0.00 0.00 66.02 62.58 3i1n s SER 105 CO 0.05 -0.61 1.11 0.18 1.20 0.00 0.00 173.24 175.17 3i1n n LEU 106 N 4.95 4.23 -1.12 3.45 4.77 -1.26 -4.23 117.00 127.79 3i1n n LEU 106 Ca -0.10 -4.82 -0.13 0.00 -0.03 0.00 0.00 56.01 50.94 3i1n n LEU 106 Cb 0.42 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3i1n n LEU 106 CO 0.42 2.07 -0.13 0.61 -1.33 0.00 0.00 177.39 179.02 3i1n n GLY 107 N -0.50 0.94 3.94 -0.72 0.00 -1.26 -4.99 105.19 102.60 3i1n n GLY 107 Ca 0.35 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3i1n n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1n s PHE 108 N -2.52 2.19 0.00 1.61 2.99 -1.26 -4.99 117.98 116.00 3i1n s PHE 108 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 56.93 56.32 3i1n s PHE 108 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 43.02 40.86 3i1n s PHE 108 CO 0.00 -0.48 1.42 0.43 -0.00 0.00 0.00 175.22 176.58 3i1n n SER 109 N -1.80 3.90 0.00 1.36 7.64 -1.26 -4.74 113.62 118.71 3i1n n SER 109 Ca 0.06 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3i1n n SER 109 Cb 0.62 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3i1n n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1n n HIS 110 N 1.19 0.00 -0.73 1.43 -0.00 -1.26 -5.14 115.22 110.72 3i1n n HIS 110 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 3i1n n HIS 110 Cb 0.44 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.60 3i1n n HIS 110 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3i1n s PRO 111 N -2.07 0.83 -0.20 -1.40 0.02 -1.26 -4.72 135.00 126.20 3i1n s PRO 111 Ca 0.00 1.41 -0.16 0.00 0.02 0.00 0.00 61.00 62.27 3i1n s PRO 111 Cb 0.00 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 3i1n s PRO 111 CO 0.00 -2.71 -0.17 1.33 -0.33 0.00 0.00 177.00 175.12 3i1n n VAL 112 N -4.28 1.50 -2.26 3.83 0.24 -0.74 -4.98 118.33 111.64 3i1n n VAL 112 Ca 0.10 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.37 3i1n n VAL 112 Cb 0.52 -2.16 -0.02 0.00 -1.47 0.00 0.00 33.84 30.72 3i1n n VAL 112 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i1n n ASP 113 N -4.44 -3.60 -4.78 -1.34 8.00 -1.25 -4.94 116.55 104.20 3i1n n ASP 113 Ca -0.27 0.92 -0.31 0.00 0.71 0.00 0.00 54.79 55.84 3i1n n ASP 113 Cb 0.59 -3.85 -0.07 0.00 -0.02 0.00 0.00 41.12 37.77 3i1n n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i1n s HIS 114 N -0.78 3.24 -0.63 1.24 5.65 0.08 -4.92 115.29 119.16 3i1n s HIS 114 Ca -0.09 0.13 0.05 0.00 0.25 0.00 0.00 55.06 55.40 3i1n s HIS 114 Cb 0.01 -1.67 0.16 0.00 -1.18 0.00 0.00 32.58 29.90 3i1n s HIS 114 CO 0.52 0.53 0.42 1.14 -0.65 0.00 0.00 174.74 176.71 3i1n s GLN 115 N -2.17 2.19 -0.04 2.88 0.00 -1.26 0.14 119.66 121.41 3i1n s GLN 115 Ca 0.27 -3.05 -0.20 0.00 -0.00 0.00 0.00 55.36 52.39 3i1n s GLN 115 Cb -0.12 -3.20 -0.09 0.00 0.00 0.00 0.00 33.01 29.59 3i1n s GLN 115 CO 0.20 -1.25 0.55 1.28 0.00 0.00 0.00 175.29 176.06 3i1n n LEU 116 N 2.34 0.09 0.00 2.60 4.32 -0.87 -4.95 117.00 120.53 3i1n n LEU 116 Ca 0.17 0.55 -0.12 0.00 -0.02 0.00 0.00 56.01 56.59 3i1n n LEU 116 Cb 0.35 -0.43 0.10 0.00 -1.62 0.00 0.00 43.42 41.82 3i1n n LEU 116 CO 0.27 -0.82 0.24 -0.81 -1.22 0.00 0.00 177.39 175.05 3i1n n PRO 117 N 0.91 -1.88 0.00 3.23 -0.04 -1.26 -4.95 135.00 131.01 3i1n n PRO 117 Ca 0.10 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 3i1n n PRO 117 Cb 0.03 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 3i1n n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1n n ALA 118 N -3.75 0.00 0.00 0.55 0.00 -1.26 -3.49 120.51 112.56 3i1n n ALA 118 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1n n ALA 118 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3i1n n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 119 N 0.00 -0.27 3.88 0.00 0.00 -1.26 -4.66 105.19 102.89 3i1n n GLY 119 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i1n n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1n s ILE 120 N -2.46 5.21 -0.03 -0.61 -1.16 -1.23 -4.43 121.20 116.49 3i1n s ILE 120 Ca 0.00 0.23 -0.08 0.00 -0.51 0.00 0.00 60.65 60.28 3i1n s ILE 120 Cb 0.00 -3.61 0.01 0.00 0.61 0.00 0.00 42.46 39.47 3i1n s ILE 120 CO 0.00 0.27 0.19 0.42 -2.81 0.00 0.00 174.94 173.01 3i1n s THR 121 N -1.40 0.05 0.12 4.00 -4.23 -1.08 -4.65 115.64 108.44 3i1n s THR 121 Ca 0.32 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 3i1n s THR 121 Cb -0.13 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 3i1n s THR 121 CO 0.19 -0.21 -0.10 0.00 -0.54 0.00 0.00 174.62 173.96 3i1n s ALA 122 N -0.76 1.28 -0.09 3.99 0.00 -1.26 -2.01 121.76 122.90 3i1n s ALA 122 Ca -0.08 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 3i1n s ALA 122 Cb -0.05 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.14 3i1n s ALA 122 CO 0.01 -0.05 0.42 -2.00 0.00 0.00 0.00 175.76 174.14 3i1n s GLU 123 N -3.19 0.63 -0.42 0.00 -6.30 -0.20 -4.99 118.70 104.23 3i1n s GLU 123 Ca 0.10 0.27 -0.14 0.00 -2.50 0.00 0.00 54.97 52.70 3i1n s GLU 123 Cb -0.01 0.29 0.04 0.00 0.00 0.00 0.00 34.13 34.45 3i1n s GLU 123 CO 0.00 -0.14 0.31 0.00 0.02 0.00 0.00 175.26 175.46 3i1n h PRO 125 N 8.63 0.81 0.00 0.00 0.13 -1.96 -3.44 132.00 136.17 3i1n h PRO 125 Ca -0.27 -0.08 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 3i1n h PRO 125 Cb 1.11 -0.16 -0.09 0.00 0.13 0.00 0.00 31.00 31.99 3i1n h PRO 125 CO 0.76 0.60 -0.33 2.41 -0.23 0.00 0.00 178.00 181.21 3i1n n THR 126 N -4.39 0.00 0.19 1.56 -1.04 -1.26 -5.02 114.28 104.32 3i1n n THR 126 Ca 0.05 -1.66 0.08 0.00 -2.04 0.00 0.00 64.05 60.49 3i1n n THR 126 Cb 0.10 0.37 0.20 0.00 -1.82 0.00 0.00 70.33 69.17 3i1n n THR 126 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3i1n h GLN 127 N 0.00 0.00 -0.36 -2.82 1.08 -1.85 -3.32 115.11 107.84 3i1n h GLN 127 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3i1n h GLN 127 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3i1n h GLN 127 CO 0.47 0.23 0.00 0.25 -0.95 0.00 0.00 178.83 178.83 3i1n n THR 128 N -3.19 1.57 -4.19 -0.54 -2.24 -1.26 0.13 114.28 104.56 3i1n n THR 128 Ca 0.02 -1.34 -0.22 0.00 -2.27 0.00 0.00 64.05 60.24 3i1n n THR 128 Cb 0.58 0.18 -0.17 0.00 -2.10 0.00 0.00 70.33 68.82 3i1n n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i1n s GLU 129 N -1.77 1.05 -0.11 -0.78 2.02 -1.25 -1.02 118.70 116.84 3i1n s GLU 129 Ca 0.34 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3i1n s GLU 129 Cb 0.23 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.40 3i1n s GLU 129 CO 0.14 -0.10 -0.11 0.42 0.02 0.00 0.00 175.26 175.64 3i1n s ILE 130 N 1.03 3.25 -0.07 -1.63 1.01 0.09 -3.59 121.20 121.29 3i1n s ILE 130 Ca -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3i1n s ILE 130 Cb -0.14 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3i1n s ILE 130 CO -0.00 0.54 -0.11 0.68 0.00 0.00 0.00 174.94 176.04 3i1n s VAL 131 N 0.02 1.09 -0.36 2.92 -7.23 -0.77 -0.11 120.40 115.96 3i1n s VAL 131 Ca -0.03 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 3i1n s VAL 131 Cb -0.14 -1.02 0.11 0.00 0.56 0.00 0.00 36.38 35.89 3i1n s VAL 131 CO 0.04 0.35 0.11 -1.48 -0.31 0.00 0.00 175.10 173.81 3i1n s LEU 132 N 0.82 3.72 0.47 1.32 2.34 -1.26 -1.03 118.68 125.06 3i1n s LEU 132 Ca -0.12 -2.13 -0.20 0.00 0.06 0.00 0.00 54.13 51.74 3i1n s LEU 132 Cb -0.15 -1.33 -0.09 0.00 -0.56 0.00 0.00 46.19 44.06 3i1n s LEU 132 CO 0.02 -0.36 1.00 -0.54 -1.06 0.00 0.00 176.35 175.40 3i1n s LYS 133 N 0.94 3.96 0.26 1.48 1.02 -0.85 -4.38 119.74 122.17 3i1n s LYS 133 Ca 0.12 1.19 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 3i1n s LYS 133 Cb -0.20 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.05 3i1n s LYS 133 CO -0.12 -0.27 0.93 0.20 -0.92 0.00 0.00 175.35 175.17 3i1n s GLY 134 N -2.27 0.19 -0.16 -3.33 0.00 -1.21 -2.63 107.32 97.92 3i1n s GLY 134 Ca 0.64 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 3i1n s GLY 134 CO 0.20 1.23 -0.15 0.00 0.00 0.00 0.00 173.10 174.37 3i1n n ALA 135 N -0.62 1.70 -2.49 3.20 0.00 -1.26 -0.06 120.51 120.98 3i1n n ALA 135 Ca -0.05 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 3i1n n ALA 135 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 3i1n n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1n s ASP 136 N -5.70 6.24 0.41 0.00 -1.08 -1.26 -4.59 116.67 110.68 3i1n s ASP 136 Ca -0.22 0.07 0.16 0.00 -0.52 0.00 0.00 52.55 52.05 3i1n s ASP 136 Cb 0.06 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.85 3i1n s ASP 136 CO 0.35 -1.66 1.88 0.50 0.52 0.00 0.00 175.17 176.76 3i1n h LYS 137 N 10.37 0.00 0.00 4.34 3.64 -1.90 -1.16 116.57 131.86 3i1n h LYS 137 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3i1n h LYS 137 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3i1n h LYS 137 CO 1.20 0.31 0.00 0.94 -2.27 0.00 0.00 179.45 179.63 3i1n n GLN 138 N -3.96 0.02 -0.07 1.90 0.00 -1.26 -2.43 117.38 111.58 3i1n n GLN 138 Ca -0.02 0.24 -0.14 0.00 -0.00 0.00 0.00 57.00 57.08 3i1n n GLN 138 Cb 0.37 -1.54 -0.05 0.00 0.00 0.00 0.00 30.24 29.03 3i1n n GLN 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3i1n n VAL 139 N -1.58 1.15 -0.40 1.69 0.31 -0.49 -3.09 118.33 115.92 3i1n n VAL 139 Ca 0.04 -0.06 0.39 0.00 -0.01 0.00 0.00 64.34 64.70 3i1n n VAL 139 Cb 0.20 -1.88 0.76 0.00 -0.91 0.00 0.00 33.84 32.01 3i1n n VAL 139 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3i1n h ILE 140 N -0.64 0.31 0.82 2.52 -0.00 -1.54 0.63 117.51 119.61 3i1n h ILE 140 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.54 3i1n h ILE 140 Cb 1.10 0.31 0.01 0.00 -0.00 0.00 0.00 36.82 38.25 3i1n h ILE 140 CO -0.17 0.00 -0.40 1.23 -0.00 0.00 0.00 178.15 178.82 3i1n h GLY 141 N 0.00 -1.16 0.48 0.16 0.00 -1.63 -2.43 103.07 98.49 3i1n h GLY 141 Ca 0.64 0.43 0.03 0.00 0.00 0.00 0.00 47.33 48.43 3i1n h GLY 141 CO -0.01 -0.42 -0.23 -1.61 0.00 0.00 0.00 176.54 174.28 3i1n h GLN 142 N -1.18 -0.35 -0.39 4.80 5.75 0.10 -2.80 115.11 121.03 3i1n h GLN 142 Ca -0.11 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3i1n h GLN 142 Cb 0.86 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.42 3i1n h GLN 142 CO 0.19 -0.23 -0.02 0.28 -2.65 0.00 0.00 178.83 176.39 3i1n h VAL 143 N -0.36 0.68 -0.28 2.39 2.07 -0.37 -1.38 116.25 119.01 3i1n h VAL 143 Ca 0.06 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3i1n h VAL 143 Cb 0.44 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3i1n h VAL 143 CO -0.20 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 177.35 3i1n h ALA 144 N 1.35 0.20 -0.63 1.67 0.00 -1.32 -1.55 119.26 118.98 3i1n h ALA 144 Ca 0.19 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.33 3i1n h ALA 144 Cb 0.28 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 3i1n h ALA 144 CO -0.34 -0.46 -0.18 0.00 0.00 0.00 0.00 179.25 178.27 3i1n h ALA 145 N 1.27 0.37 0.31 0.00 0.00 -1.03 -0.17 119.26 120.01 3i1n h ALA 145 Ca 0.14 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3i1n h ALA 145 Cb 0.20 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3i1n h ALA 145 CO -0.28 -0.45 -0.28 -0.44 0.00 0.00 0.00 179.25 177.80 3i1n h ASP 146 N -0.02 -0.75 -0.97 0.00 3.32 -0.49 0.32 116.42 117.82 3i1n h ASP 146 Ca 0.30 0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.53 3i1n h ASP 146 Cb 0.48 0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.14 3i1n h ASP 146 CO -0.66 -0.38 -0.49 -0.07 -1.72 0.00 0.00 179.24 175.92 3i1n h LEU 147 N -0.57 -1.80 -0.32 1.55 3.38 -0.89 0.18 115.31 116.83 3i1n h LEU 147 Ca -0.04 0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.31 3i1n h LEU 147 Cb 0.49 0.85 -0.08 0.00 0.09 0.00 0.00 40.66 42.01 3i1n h LEU 147 CO -0.02 -0.26 -0.37 -0.09 0.09 0.00 0.00 178.44 177.79 3i1n h ARG 148 N -0.01 -0.32 -0.71 1.13 2.43 -0.69 -2.56 114.38 113.65 3i1n h ARG 148 Ca 0.25 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.66 3i1n h ARG 148 Cb 0.50 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 30.00 3i1n h ARG 148 CO -0.95 -0.21 0.10 0.00 -1.51 0.00 0.00 179.97 177.40 3i1n n ALA 149 N -2.99 0.45 -0.32 2.80 0.00 0.11 -0.22 120.51 120.34 3i1n n ALA 149 Ca -0.01 0.75 0.21 0.00 0.00 0.00 0.00 53.44 54.39 3i1n n ALA 149 Cb 0.34 -0.59 0.42 0.00 0.00 0.00 0.00 19.45 19.62 3i1n n ALA 149 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3i1n h TYR 150 N 0.00 0.72 -1.42 0.00 0.99 -1.39 -3.31 116.97 112.56 3i1n h TYR 150 Ca 0.47 0.04 -0.26 0.00 2.00 0.00 0.00 58.73 60.99 3i1n h TYR 150 Cb 1.05 -0.16 -0.23 0.00 1.00 0.00 0.00 36.73 38.39 3i1n h TYR 150 CO -0.28 -0.22 -0.61 0.50 -0.00 0.00 0.00 178.16 177.55 3i1n s ARG 151 N -5.75 0.93 0.20 4.88 6.06 0.69 -5.05 118.95 120.92 3i1n s ARG 151 Ca -0.11 -1.11 -0.31 0.00 -2.50 0.00 0.00 55.73 51.70 3i1n s ARG 151 Cb 0.29 -0.40 -0.10 0.00 0.06 0.00 0.00 34.95 34.80 3i1n s ARG 151 CO 0.78 -1.30 1.53 1.03 -2.50 0.00 0.00 175.30 174.85 3i1n s ARG 152 N 0.95 4.22 -0.83 5.12 0.52 -1.18 -0.39 118.95 127.37 3i1n s ARG 152 Ca 0.26 2.36 -0.34 0.00 -0.52 0.00 0.00 55.73 57.50 3i1n s ARG 152 Cb -0.02 -3.13 -0.20 0.00 0.52 0.00 0.00 34.95 32.12 3i1n s ARG 152 CO -0.08 -0.56 2.54 -2.30 0.02 0.00 0.00 175.30 174.93 3i1n n PRO 153 N 3.37 0.11 -2.11 3.54 -0.02 -1.26 -4.84 135.00 133.80 3i1n n PRO 153 Ca 0.11 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 3i1n n PRO 153 Cb 0.39 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3i1n n PRO 153 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3i1n s GLU 154 N 8.19 3.94 -0.00 -0.52 4.04 -0.25 -4.87 118.70 129.23 3i1n s GLU 154 Ca 1.29 2.06 0.05 0.00 0.04 0.00 0.00 54.97 58.41 3i1n s GLU 154 Cb -1.22 -2.69 0.15 0.00 0.02 0.00 0.00 34.13 30.39 3i1n s GLU 154 CO 0.51 -0.49 1.11 -0.35 -1.84 0.00 0.00 175.26 174.21 3i1n n PRO 155 N 0.03 1.42 -0.00 -4.83 -0.04 -1.26 -1.34 135.00 128.98 3i1n n PRO 155 Ca 0.04 -0.63 0.05 0.00 -0.04 0.00 0.00 63.50 62.93 3i1n n PRO 155 Cb 0.45 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.67 3i1n n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i1n n TYR 156 N 0.01 0.00 -1.37 0.54 4.02 -1.26 0.21 117.16 119.32 3i1n n TYR 156 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3i1n n TYR 156 Cb 0.16 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3i1n n TYR 156 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3i1n n LYS 157 N -1.83 0.00 -0.76 -0.72 5.02 -1.21 -4.45 118.16 114.21 3i1n n LYS 157 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3i1n n LYS 157 Cb 0.25 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 3i1n n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 158 N 0.00 1.27 3.77 0.72 0.00 -0.45 -4.99 105.19 105.52 3i1n n GLY 158 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1n n GLY 158 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1n s LYS 159 N -0.08 3.93 0.00 1.61 2.20 -1.25 -4.64 119.74 121.51 3i1n s LYS 159 Ca 0.00 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 3i1n s LYS 159 Cb 0.00 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 3i1n s LYS 159 CO 0.00 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 3i1n n GLY 160 N 0.50 0.60 3.77 5.54 0.00 0.68 -1.09 105.19 115.19 3i1n n GLY 160 Ca 0.03 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 3i1n n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 161 N -0.81 4.19 0.00 1.61 1.01 0.48 -1.21 120.40 125.66 3i1n s VAL 161 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 3i1n s VAL 161 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3i1n s VAL 161 CO 0.00 0.26 0.00 0.54 0.00 0.00 0.00 175.10 175.90 3i1n n ARG 162 N 0.87 0.89 0.00 2.72 1.74 -1.02 -3.98 116.66 117.88 3i1n n ARG 162 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1n n ARG 162 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3i1n n ARG 162 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i1n n TYR 163 N 0.00 0.00 0.00 -1.55 4.01 -1.26 -3.44 117.16 114.92 3i1n n TYR 163 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i1n n TYR 163 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3i1n n TYR 163 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1n n ALA 164 N -1.58 0.00 -0.18 -0.72 0.00 -1.26 -3.93 120.51 112.85 3i1n n ALA 164 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3i1n n ALA 164 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3i1n n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1n n ASP 165 N 0.00 4.83 -4.88 0.00 8.00 -1.26 -4.95 116.55 118.29 3i1n n ASP 165 Ca 0.00 -2.45 -0.29 0.00 0.71 0.00 0.00 54.79 52.76 3i1n n ASP 165 Cb 0.00 -0.93 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 3i1n n ASP 165 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3i1n s GLU 166 N -0.41 3.68 0.00 -1.24 4.04 -1.26 -5.00 118.70 118.50 3i1n s GLU 166 Ca 0.07 0.46 0.00 0.00 0.04 0.00 0.00 54.97 55.54 3i1n s GLU 166 Cb 0.06 -2.31 0.00 0.00 0.02 0.00 0.00 34.13 31.89 3i1n s GLU 166 CO 0.00 -0.21 0.00 1.33 -1.84 0.00 0.00 175.26 174.55 3i1n n VAL 167 N -1.91 0.00 -2.80 1.83 0.24 -1.26 -5.09 118.33 109.33 3i1n n VAL 167 Ca 0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.25 3i1n n VAL 167 Cb 0.54 -0.89 0.01 0.00 -1.47 0.00 0.00 33.84 32.03 3i1n n VAL 167 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1n n VAL 168 N -2.61 -2.01 -0.05 3.34 0.24 -1.26 -4.83 118.33 111.15 3i1n n VAL 168 Ca 0.00 0.33 -0.01 0.00 -2.04 0.00 0.00 64.34 62.62 3i1n n VAL 168 Cb 0.34 -2.57 0.26 0.00 -1.47 0.00 0.00 33.84 30.40 3i1n n VAL 168 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3i1n h ARG 169 N 2.81 0.64 -3.08 7.34 3.08 -1.95 -3.48 114.38 119.74 3i1n h ARG 169 Ca -0.11 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3i1n h ARG 169 Cb 0.91 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3i1n h ARG 169 CO 0.04 0.61 -0.55 0.25 -1.07 0.00 0.00 179.97 179.26 3i1n n THR 170 N -4.29 -2.33 -3.71 2.04 -2.24 -1.25 -5.07 114.28 97.45 3i1n n THR 170 Ca 0.02 1.11 -0.10 0.00 -2.27 0.00 0.00 64.05 62.81 3i1n n THR 170 Cb 0.23 -1.66 -0.05 0.00 -2.10 0.00 0.00 70.33 66.74 3i1n n THR 170 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3i1n s LYS 171 N -4.16 1.02 0.25 -0.78 2.47 0.13 -4.95 119.74 113.72 3i1n s LYS 171 Ca 0.00 -0.80 -0.19 0.00 -1.56 0.00 0.00 55.97 53.43 3i1n s LYS 171 Cb 0.00 0.43 -0.08 0.00 -1.46 0.00 0.00 37.83 36.72 3i1n s LYS 171 CO 0.00 -0.38 0.74 -1.21 0.16 0.00 0.00 175.35 174.66 3i1n s GLU 172 N -3.83 4.21 0.98 4.03 0.41 -1.26 -4.54 118.70 118.70 3i1n s GLU 172 Ca 0.04 0.85 -0.11 0.00 -0.41 0.00 0.00 54.97 55.33 3i1n s GLU 172 Cb 0.03 -2.77 0.18 0.00 -1.78 0.00 0.00 34.13 29.78 3i1n s GLU 172 CO -0.11 0.33 1.09 0.00 -0.49 0.00 0.00 175.26 176.08 3i1n s ALA 173 N -1.63 0.95 1.08 5.21 0.00 -1.26 -4.97 121.76 121.14 3i1n s ALA 173 Ca 0.46 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.32 3i1n s ALA 173 Cb -0.15 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.76 3i1n s ALA 173 CO 0.20 -2.88 -0.07 0.36 0.00 0.00 0.00 175.76 173.38 3i1n n LYS 174 N -4.27 -1.25 -2.56 0.00 -0.00 -1.26 -4.83 118.16 103.99 3i1n n LYS 174 Ca 0.07 -0.35 -0.41 0.00 -0.00 0.00 0.00 58.31 57.62 3i1n n LYS 174 Cb 0.54 -1.66 -0.03 0.00 -0.00 0.00 0.00 35.03 33.88 3i1n n LYS 174 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1n s LYS 175 N -3.34 3.23 0.00 -1.58 -0.14 -1.26 -5.32 119.74 111.33 3i1n s LYS 175 Ca 0.54 -0.19 0.00 0.00 -1.36 0.00 0.00 55.97 54.96 3i1n s LYS 175 Cb -0.12 -4.16 0.00 0.00 -1.68 0.00 0.00 37.83 31.87 3i1n s LYS 175 CO 0.67 -2.10 0.00 1.17 -0.76 0.00 0.00 175.35 174.33