#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n VAL 2 N 0.00 0.00 0.00 0.00 0.31 -1.26 -2.58 118.33 114.80 3i1t n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1t n VAL 2 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1t n VAL 2 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i1t n VAL 3 N 0.00 -0.24 -2.31 2.52 0.31 -1.25 -3.53 118.33 113.83 3i1t n VAL 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1t n VAL 3 Cb 0.00 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3i1t n VAL 3 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i1t n LYS 4 N 1.74 2.79 -3.70 5.55 5.02 -1.26 -3.52 118.16 124.77 3i1t n LYS 4 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3i1t n LYS 4 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 3i1t n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t n LYS 6 N 4.71 2.25 -0.90 0.00 5.02 -1.26 -4.38 118.16 123.60 3i1t n LYS 6 Ca -0.17 0.79 -0.31 0.00 -2.02 0.00 0.00 58.31 56.60 3i1t n LYS 6 Cb 0.51 -2.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 3i1t n LYS 6 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i1t n PRO 7 N 0.48 1.74 -1.10 1.97 -0.02 -1.26 -4.34 135.00 132.47 3i1t n PRO 7 Ca 0.04 -1.60 -0.25 0.00 -2.02 0.00 0.00 63.50 59.67 3i1t n PRO 7 Cb 0.37 -2.65 0.10 0.00 -0.02 0.00 0.00 33.50 31.30 3i1t n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i1t n THR 8 N 5.06 3.10 0.00 3.45 -2.24 -1.26 -4.83 114.28 117.57 3i1t n THR 8 Ca 0.45 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 3i1t n THR 8 Cb 0.25 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3i1t n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i1t n SER 9 N -0.62 0.00 -4.36 3.42 3.41 -1.26 -5.00 113.62 109.22 3i1t n SER 9 Ca 0.50 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.70 3i1t n SER 9 Cb 0.98 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.93 3i1t n SER 9 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3i1t n PRO 10 N 0.00 0.22 -1.00 4.33 -0.04 -1.26 0.48 135.00 137.73 3i1t n PRO 10 Ca 0.00 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3i1t n PRO 10 Cb 0.00 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3i1t n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1t n GLY 11 N 2.14 0.48 0.98 0.55 0.00 -1.26 -4.78 105.19 103.31 3i1t n GLY 11 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i1t n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t n ARG 12 N -2.89 0.00 -0.23 1.61 5.12 0.18 -4.66 116.66 115.78 3i1t n ARG 12 Ca -0.00 0.00 0.23 0.00 -1.93 0.00 0.00 57.85 56.15 3i1t n ARG 12 Cb 0.02 -0.39 0.42 0.00 -1.16 0.00 0.00 32.46 31.35 3i1t n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1t n ARG 13 N -2.39 -0.04 -0.03 5.56 0.63 -1.18 -0.96 116.66 118.25 3i1t n ARG 13 Ca 0.00 0.98 0.04 0.00 -0.92 0.00 0.00 57.85 57.95 3i1t n ARG 13 Cb 0.20 -1.77 -0.15 0.00 0.45 0.00 0.00 32.46 31.19 3i1t n ARG 13 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i1t n HIS 14 N -4.59 0.00 -1.67 -0.14 8.25 -1.26 -4.72 115.22 111.09 3i1t n HIS 14 Ca 0.27 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.28 3i1t n HIS 14 Cb 0.93 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 3i1t n HIS 14 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3i1t n VAL 15 N -2.33 0.79 -3.77 1.59 0.31 -0.13 -4.73 118.33 110.07 3i1t n VAL 15 Ca -0.12 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3i1t n VAL 15 Cb 0.69 -1.49 -0.14 0.00 -0.91 0.00 0.00 33.84 31.98 3i1t n VAL 15 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i1t s VAL 16 N 0.10 1.29 0.25 2.52 1.01 -1.26 -3.69 120.40 120.62 3i1t s VAL 16 Ca 0.70 -1.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 3i1t s VAL 16 Cb -0.65 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 3i1t s VAL 16 CO 0.48 -0.75 0.62 -0.75 0.00 0.00 0.00 175.10 174.70 3i1t s LYS 17 N 1.02 3.92 -0.21 2.72 2.36 -1.23 -2.48 119.74 125.85 3i1t s LYS 17 Ca 0.13 0.48 -0.06 0.00 -2.55 0.00 0.00 55.97 53.96 3i1t s LYS 17 Cb -0.20 -2.64 -0.03 0.00 -1.05 0.00 0.00 37.83 33.91 3i1t s LYS 17 CO -0.13 0.30 0.04 0.54 1.55 0.00 0.00 175.35 177.64 3i1t s VAL 18 N -1.80 4.30 -0.71 4.02 0.11 -1.26 -3.92 120.40 121.13 3i1t s VAL 18 Ca 0.48 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 3i1t s VAL 18 Cb -0.12 -2.96 0.18 0.00 -1.53 0.00 0.00 36.38 31.95 3i1t s VAL 18 CO 0.20 0.41 0.53 -0.69 -3.33 0.00 0.00 175.10 172.22 3i1t s VAL 19 N 0.96 3.53 -0.43 2.04 1.01 -1.06 -4.94 120.40 121.52 3i1t s VAL 19 Ca 0.03 -3.63 -0.28 0.00 0.00 0.00 0.00 61.98 58.09 3i1t s VAL 19 Cb -0.14 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3i1t s VAL 19 CO 0.02 -0.96 1.73 0.20 0.00 0.00 0.00 175.10 176.10 3i1t s ASN 20 N -0.27 5.81 0.00 3.32 0.02 -1.26 -0.94 114.94 121.62 3i1t s ASN 20 Ca 0.22 0.93 0.19 0.00 -1.02 0.00 0.00 52.86 53.19 3i1t s ASN 20 Cb -0.13 -2.53 0.53 0.00 0.02 0.00 0.00 41.25 39.14 3i1t s ASN 20 CO -0.09 -1.84 1.43 -0.81 0.02 0.00 0.00 177.10 175.82 3i1t n PRO 21 N 8.57 2.19 0.00 -0.60 -0.04 -1.26 -3.54 135.00 140.31 3i1t n PRO 21 Ca 0.21 -1.82 0.14 0.00 -0.04 0.00 0.00 63.50 61.99 3i1t n PRO 21 Cb 0.48 -1.44 0.49 0.00 -0.04 0.00 0.00 33.50 33.00 3i1t n PRO 21 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i1t n GLU 22 N 1.00 0.79 -1.78 0.54 2.13 -1.26 -4.90 120.64 117.16 3i1t n GLU 22 Ca 0.18 -0.38 -0.30 0.00 0.66 0.00 0.00 57.16 57.32 3i1t n GLU 22 Cb 0.46 -1.49 0.16 0.00 0.27 0.00 0.00 31.44 30.85 3i1t n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3i1t s LEU 23 N -2.47 2.34 0.00 4.31 1.02 -1.23 -4.58 118.68 118.07 3i1t s LEU 23 Ca 0.27 0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.93 3i1t s LEU 23 Cb 0.20 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.76 3i1t s LEU 23 CO 0.49 -2.70 0.00 1.57 0.02 0.00 0.00 176.35 175.74 3i1t n HIS 24 N -3.79 -2.42 0.08 0.29 -0.00 0.64 -4.89 115.22 105.13 3i1t n HIS 24 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 3i1t n HIS 24 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 3i1t n HIS 24 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i1t n LYS 25 N -0.71 0.00 -1.41 1.57 4.76 -1.26 -4.93 118.16 116.17 3i1t n LYS 25 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3i1t n LYS 25 Cb 0.00 -0.35 0.18 0.00 -1.84 0.00 0.00 35.03 33.02 3i1t n LYS 25 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i1t s GLY 26 N -4.33 1.61 0.26 0.72 0.00 -1.26 -4.94 107.32 99.38 3i1t s GLY 26 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 3i1t s GLY 26 CO 0.00 -0.03 0.43 0.28 0.00 0.00 0.00 173.10 173.78 3i1t n LYS 27 N -4.10 0.08 0.00 2.90 5.02 -1.26 -4.94 118.16 115.86 3i1t n LYS 27 Ca 0.09 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3i1t n LYS 27 Cb 0.59 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3i1t n LYS 27 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i1t n PRO 28 N 1.06 0.00 -3.25 1.97 -0.04 -1.26 -4.91 135.00 128.57 3i1t n PRO 28 Ca 0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 3i1t n PRO 28 Cb 0.30 -0.04 -0.04 0.00 -0.04 0.00 0.00 33.50 33.68 3i1t n PRO 28 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i1t s PHE 29 N 0.00 -1.31 0.30 0.54 5.36 -1.26 -5.05 117.98 116.56 3i1t s PHE 29 Ca 0.00 0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 56.69 3i1t s PHE 29 Cb 0.00 0.07 0.67 0.00 -0.34 0.00 0.00 43.02 43.42 3i1t s PHE 29 CO 0.00 -0.98 1.57 0.00 -1.46 0.00 0.00 175.22 174.35 3i1t h ALA 30 N 8.10 1.02 0.00 11.12 0.00 -2.00 0.16 119.26 137.66 3i1t h ALA 30 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i1t h ALA 30 Cb 1.15 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3i1t h ALA 30 CO 0.23 -0.52 0.00 -2.30 0.00 0.00 0.00 179.25 176.66 3i1t n PRO 31 N -5.52 0.00 -2.66 0.00 -0.02 -1.26 -2.66 135.00 122.87 3i1t n PRO 31 Ca 0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3i1t n PRO 31 Cb 0.68 -1.45 0.06 0.00 -0.02 0.00 0.00 33.50 32.77 3i1t n PRO 31 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i1t n LEU 32 N -0.85 1.03 0.00 2.45 4.77 0.55 -5.06 117.00 119.89 3i1t n LEU 32 Ca 0.00 -2.94 -0.18 0.00 -0.03 0.00 0.00 56.01 52.86 3i1t n LEU 32 Cb 0.00 0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3i1t n LEU 32 CO 0.00 1.09 -0.13 0.18 -1.33 0.00 0.00 177.39 177.21 3i1t n LEU 33 N -0.63 0.00 0.00 2.23 4.77 -1.09 -2.90 117.00 119.38 3i1t n LEU 33 Ca 0.03 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 3i1t n LEU 33 Cb 0.84 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 3i1t n LEU 33 CO 0.02 -0.29 0.00 -1.84 -1.33 0.00 0.00 177.39 173.95 3i1t n GLU 34 N -0.68 0.00 0.00 3.23 0.28 -1.16 -4.96 120.64 117.35 3i1t n GLU 34 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3i1t n GLU 34 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 3i1t n GLU 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3i1t n LYS 35 N 0.00 0.00 0.00 3.44 0.00 -1.26 -4.10 118.16 116.24 3i1t n LYS 35 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 58.31 58.75 3i1t n LYS 35 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 33.77 3i1t n LYS 35 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3i1t n ASN 36 N -1.83 0.00 -1.80 3.14 5.15 -1.26 -4.62 115.26 114.04 3i1t n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i1t n ASN 36 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3i1t n ASN 36 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i1t n SER 37 N 5.29 -6.38 -3.33 1.20 2.88 -1.26 -4.95 113.62 107.07 3i1t n SER 37 Ca 0.00 1.27 -0.15 0.00 -1.33 0.00 0.00 58.87 58.66 3i1t n SER 37 Cb 0.00 -4.00 0.14 0.00 -0.75 0.00 0.00 64.21 59.61 3i1t n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i1t n LYS 38 N 0.64 -1.89 0.00 -1.46 4.76 -1.26 -4.99 118.16 113.96 3i1t n LYS 38 Ca 0.00 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.73 3i1t n LYS 38 Cb 0.00 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3i1t n LYS 38 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i1t n SER 39 N -2.33 0.00 -0.82 4.39 3.41 -1.26 -4.99 113.62 112.02 3i1t n SER 39 Ca 0.07 -0.77 -0.09 0.00 -0.26 0.00 0.00 58.87 57.81 3i1t n SER 39 Cb 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 3i1t n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1t n GLY 40 N 0.00 0.89 3.33 5.00 0.00 -1.26 -1.16 105.19 111.98 3i1t n GLY 40 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3i1t n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 41 N 0.19 -0.36 3.65 -0.02 0.00 -1.26 -4.60 105.19 102.79 3i1t n GLY 41 Ca -0.09 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3i1t n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 42 N -5.96 2.35 0.00 1.61 3.00 -0.31 -3.27 118.95 116.37 3i1t s ARG 42 Ca 0.41 -1.16 0.00 0.00 0.00 0.00 0.00 55.73 54.98 3i1t s ARG 42 Cb -0.18 -2.31 0.00 0.00 0.00 0.00 0.00 34.95 32.46 3i1t s ARG 42 CO 0.65 0.44 0.00 -1.71 0.00 0.00 0.00 175.30 174.69 3i1t n ASN 43 N -0.17 0.00 0.18 0.23 4.05 -1.02 -4.95 115.26 113.59 3i1t n ASN 43 Ca -0.10 -0.80 -0.08 0.00 0.45 0.00 0.00 54.58 54.05 3i1t n ASN 43 Cb 0.55 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.53 3i1t n ASN 43 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3i1t h ASN 44 N 0.00 -0.45 0.00 1.20 2.35 -2.01 -3.16 115.58 113.52 3i1t h ASN 44 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i1t h ASN 44 Cb 0.00 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3i1t h ASN 44 CO 0.00 -0.05 0.16 0.59 -1.65 0.00 0.00 177.43 176.49 3i1t n ASN 45 N -4.94 0.00 0.00 5.81 4.13 -1.26 -4.70 115.26 114.30 3i1t n ASN 45 Ca -0.07 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.30 3i1t n ASN 45 Cb 0.21 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 3i1t n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i1t n GLY 46 N -0.96 2.49 3.75 7.41 0.00 -1.19 -4.97 105.19 111.72 3i1t n GLY 46 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i1t n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 47 N 0.00 2.47 0.09 1.61 0.52 -1.26 -4.37 118.95 118.01 3i1t s ARG 47 Ca 0.00 1.57 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 3i1t s ARG 47 Cb 0.00 -1.89 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 3i1t s ARG 47 CO 0.00 -1.54 0.70 0.42 0.02 0.00 0.00 175.30 174.90 3i1t s ILE 48 N -2.17 4.62 -0.19 1.52 1.01 -1.26 -2.42 121.20 122.31 3i1t s ILE 48 Ca 0.70 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.77 3i1t s ILE 48 Cb -0.25 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 3i1t s ILE 48 CO 0.43 0.48 -0.24 0.35 0.00 0.00 0.00 174.94 175.96 3i1t n THR 49 N 2.06 1.01 -5.00 2.92 -2.24 -1.20 -4.96 114.28 106.87 3i1t n THR 49 Ca -0.06 -0.26 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3i1t n THR 49 Cb 0.50 -1.75 -0.15 0.00 -2.10 0.00 0.00 70.33 66.83 3i1t n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i1t s THR 50 N -2.34 2.00 0.00 4.28 -4.23 -1.25 -5.14 115.64 108.96 3i1t s THR 50 Ca -0.26 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3i1t s THR 50 Cb 0.10 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3i1t s THR 50 CO 0.32 0.41 0.00 0.54 -0.54 0.00 0.00 174.62 175.36 3i1t n ARG 51 N 2.05 0.41 -3.34 3.99 3.00 -1.26 -4.62 116.66 116.89 3i1t n ARG 51 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.44 3i1t n ARG 51 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.99 3i1t n ARG 51 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1t n HIS 52 N -1.59 -1.88 -4.69 -1.55 8.25 -1.26 -4.92 115.22 107.58 3i1t n HIS 52 Ca 0.00 0.53 -0.24 0.00 -0.26 0.00 0.00 57.72 57.75 3i1t n HIS 52 Cb 0.00 -3.43 -0.16 0.00 1.12 0.00 0.00 29.99 27.53 3i1t n HIS 52 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i1t s ILE 53 N -3.03 1.22 0.00 1.59 1.10 -1.26 -0.68 121.20 120.14 3i1t s ILE 53 Ca 0.41 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.95 3i1t s ILE 53 Cb -0.21 -1.05 0.00 0.00 0.15 0.00 0.00 42.46 41.35 3i1t s ILE 53 CO 0.50 0.36 0.00 0.61 -2.11 0.00 0.00 174.94 174.30 3i1t n GLY 54 N 3.19 3.32 0.00 1.50 0.00 -0.65 -4.41 105.19 108.14 3i1t n GLY 54 Ca -0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3i1t n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 55 N 0.00 0.93 3.09 -0.02 0.00 -1.26 -4.61 105.19 103.32 3i1t n GLY 55 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3i1t n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 56 N 0.00 1.32 3.15 -0.02 0.00 -1.05 -4.68 105.19 103.91 3i1t n GLY 56 Ca 0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 3i1t n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1t s HIS 57 N 0.00 -0.01 0.14 1.61 3.76 -1.26 -4.91 115.29 114.62 3i1t s HIS 57 Ca 0.00 -0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.65 3i1t s HIS 57 Cb 0.00 -0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.70 3i1t s HIS 57 CO 0.00 -0.33 1.67 0.87 -0.85 0.00 0.00 174.74 176.09 3i1t h LYS 58 N 4.05 -0.12 -3.09 1.40 1.57 -1.99 -3.47 116.57 114.92 3i1t h LYS 58 Ca -0.31 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3i1t h LYS 58 Cb 1.19 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3i1t h LYS 58 CO 0.41 -0.08 -0.48 1.04 -0.57 0.00 0.00 179.45 179.77 3i1t n GLN 59 N -5.30 -2.67 -3.56 3.15 6.02 -1.26 -4.23 117.38 109.53 3i1t n GLN 59 Ca -0.01 2.17 -0.39 0.00 -0.01 0.00 0.00 57.00 58.76 3i1t n GLN 59 Cb 0.22 -2.42 -0.11 0.00 1.02 0.00 0.00 30.24 28.94 3i1t n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1t s ALA 60 N -0.28 3.52 0.33 -1.58 0.00 -1.26 -4.45 121.76 118.04 3i1t s ALA 60 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 3i1t s ALA 60 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 3i1t s ALA 60 CO 0.00 -0.70 1.40 -0.47 0.00 0.00 0.00 175.76 175.99 3i1t s TYR 61 N 1.77 2.87 0.19 0.00 6.14 -1.26 -4.82 117.35 122.24 3i1t s TYR 61 Ca 0.07 1.23 0.07 0.00 0.64 0.00 0.00 57.07 59.08 3i1t s TYR 61 Cb -0.16 -3.84 -0.04 0.00 0.42 0.00 0.00 41.96 38.34 3i1t s TYR 61 CO 0.11 -2.47 0.06 1.03 0.64 0.00 0.00 175.55 174.92 3i1t s ARG 62 N -1.60 2.60 0.02 4.97 3.00 -1.26 -3.01 118.95 123.67 3i1t s ARG 62 Ca 0.53 -1.06 -0.10 0.00 0.00 0.00 0.00 55.73 55.09 3i1t s ARG 62 Cb -0.43 -2.45 -0.06 0.00 0.00 0.00 0.00 34.95 32.02 3i1t s ARG 62 CO 0.55 0.45 1.16 0.82 0.00 0.00 0.00 175.30 178.27 3i1t h ILE 63 N 2.18 0.00 -3.76 1.52 1.08 -1.90 -3.49 117.51 113.13 3i1t h ILE 63 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3i1t h ILE 63 Cb 1.21 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3i1t h ILE 63 CO 0.60 0.00 -0.51 0.52 -0.69 0.00 0.00 178.15 178.07 3i1t n VAL 64 N -3.05 -6.31 -2.38 1.67 0.31 -1.26 -4.87 118.33 102.44 3i1t n VAL 64 Ca -0.05 0.90 -0.40 0.00 -0.01 0.00 0.00 64.34 64.78 3i1t n VAL 64 Cb 0.15 -4.83 -0.03 0.00 -0.91 0.00 0.00 33.84 28.22 3i1t n VAL 64 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1t s ASP 65 N -0.39 5.90 -0.03 4.52 2.15 -0.29 -4.88 116.67 123.64 3i1t s ASP 65 Ca -0.07 -0.12 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 3i1t s ASP 65 Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3i1t s ASP 65 CO 0.29 -1.98 0.08 -0.26 -0.17 0.00 0.00 175.17 173.14 3i1t h PHE 66 N 11.60 -0.03 -1.76 -5.34 -1.00 -1.88 -3.40 116.94 115.13 3i1t h PHE 66 Ca -0.27 -0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.03 3i1t h PHE 66 Cb 1.09 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 3i1t h PHE 66 CO 1.09 -0.02 1.19 -1.59 -1.61 0.00 0.00 178.31 177.37 3i1t s LYS 67 N -1.39 2.82 -0.93 1.51 -2.85 0.10 -4.79 119.74 114.21 3i1t s LYS 67 Ca -0.00 0.10 -0.24 0.00 -1.00 0.00 0.00 55.97 54.83 3i1t s LYS 67 Cb 0.00 -4.55 0.03 0.00 -2.06 0.00 0.00 37.83 31.26 3i1t s LYS 67 CO 0.01 -2.68 1.46 1.03 0.10 0.00 0.00 175.35 175.28 3i1t s ARG 68 N 6.57 3.37 0.00 1.78 0.52 -1.26 -4.91 118.95 125.02 3i1t s ARG 68 Ca 0.59 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 3i1t s ARG 68 Cb -0.09 -5.01 0.00 0.00 0.52 0.00 0.00 34.95 30.37 3i1t s ARG 68 CO 0.13 -2.31 0.00 0.09 0.02 0.00 0.00 175.30 173.23 3i1t n ASN 69 N 9.56 0.00 -4.05 0.23 3.02 -1.26 -4.81 115.26 117.95 3i1t n ASN 69 Ca 0.26 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.53 3i1t n ASN 69 Cb 0.50 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 3i1t n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i1t n LYS 70 N 0.00 -2.96 -1.09 3.52 3.00 -1.26 -4.80 118.16 114.57 3i1t n LYS 70 Ca 0.00 0.36 -0.30 0.00 -0.00 0.00 0.00 58.31 58.37 3i1t n LYS 70 Cb 0.00 -4.51 0.24 0.00 0.00 0.00 0.00 35.03 30.76 3i1t n LYS 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i1t s ASP 71 N -4.17 0.96 -0.48 3.14 1.11 -1.26 -3.86 116.67 112.11 3i1t s ASP 71 Ca 0.14 0.64 0.00 0.00 0.18 0.00 0.00 52.55 53.51 3i1t s ASP 71 Cb -0.08 -0.90 0.00 0.00 1.07 0.00 0.00 42.92 43.02 3i1t s ASP 71 CO 0.91 -4.10 0.00 0.61 1.18 0.00 0.00 175.17 173.77 3i1t n GLY 72 N -0.97 0.43 3.08 0.21 0.00 0.59 -4.88 105.19 103.66 3i1t n GLY 72 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1t s ILE 73 N -1.31 1.89 0.18 -0.61 -1.09 -1.25 -5.04 121.20 113.96 3i1t s ILE 73 Ca 0.00 -0.90 -0.32 0.00 -2.23 0.00 0.00 60.65 57.20 3i1t s ILE 73 Cb 0.00 -1.76 -0.12 0.00 -1.58 0.00 0.00 42.46 38.99 3i1t s ILE 73 CO 0.00 0.45 1.71 -0.81 -1.23 0.00 0.00 174.94 175.07 3i1t n PRO 74 N 4.66 2.62 -4.45 2.79 -0.04 -1.26 -4.68 135.00 134.65 3i1t n PRO 74 Ca -0.19 0.95 -0.22 0.00 -0.04 0.00 0.00 63.50 63.99 3i1t n PRO 74 Cb 0.49 -2.79 -0.16 0.00 -0.04 0.00 0.00 33.50 31.01 3i1t n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1t s ALA 75 N 1.44 1.03 -0.16 0.55 0.00 -0.33 -0.33 121.76 123.96 3i1t s ALA 75 Ca 0.77 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3i1t s ALA 75 Cb -0.55 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.12 3i1t s ALA 75 CO 0.35 0.10 -0.20 0.14 0.00 0.00 0.00 175.76 176.14 3i1t s VAL 76 N 0.59 2.14 0.56 0.00 -7.23 -0.71 -0.34 120.40 115.41 3i1t s VAL 76 Ca -0.11 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.92 3i1t s VAL 76 Cb -0.14 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3i1t s VAL 76 CO 0.02 0.54 1.32 0.68 -0.31 0.00 0.00 175.10 177.35 3i1t s VAL 77 N 1.00 2.21 -0.12 1.32 -7.23 -1.16 -4.12 120.40 112.30 3i1t s VAL 77 Ca -0.02 0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 3i1t s VAL 77 Cb -0.15 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.65 3i1t s VAL 77 CO -0.06 -0.01 -0.12 -0.62 -0.31 0.00 0.00 175.10 173.98 3i1t n GLU 78 N -1.20 0.28 -1.45 4.82 1.02 0.23 -3.32 120.64 121.01 3i1t n GLU 78 Ca 0.11 0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3i1t n GLU 78 Cb 0.46 -1.13 -0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3i1t n GLU 78 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i1t n ARG 79 N -3.10 0.02 -3.72 3.49 1.85 -1.25 -4.95 116.66 109.00 3i1t n ARG 79 Ca -0.22 -0.07 -0.13 0.00 -1.00 0.00 0.00 57.85 56.44 3i1t n ARG 79 Cb 0.70 0.07 -0.10 0.00 -1.05 0.00 0.00 32.46 32.08 3i1t n ARG 79 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i1t s LEU 80 N 0.00 0.25 0.00 2.89 1.02 -1.26 -2.80 118.68 118.78 3i1t s LEU 80 Ca 0.01 0.88 0.08 0.00 0.02 0.00 0.00 54.13 55.11 3i1t s LEU 80 Cb -0.00 1.45 -0.03 0.00 0.02 0.00 0.00 46.19 47.63 3i1t s LEU 80 CO 0.00 -0.16 0.29 -1.84 0.02 0.00 0.00 176.35 174.66 3i1t n GLU 81 N 3.17 0.42 -3.58 1.70 0.00 -1.06 0.23 120.64 121.52 3i1t n GLU 81 Ca -0.15 -3.42 -0.41 0.00 0.00 0.00 0.00 57.16 53.18 3i1t n GLU 81 Cb 0.57 2.80 -0.11 0.00 0.00 0.00 0.00 31.44 34.69 3i1t n GLU 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3i1t s TYR 82 N -3.38 3.25 -0.61 -1.84 6.04 -1.26 -2.60 117.35 116.95 3i1t s TYR 82 Ca 0.41 -0.99 -0.28 0.00 0.04 0.00 0.00 57.07 56.25 3i1t s TYR 82 Cb 0.02 -2.51 0.02 0.00 -1.04 0.00 0.00 41.96 38.46 3i1t s TYR 82 CO 0.29 -0.67 1.32 0.34 -1.54 0.00 0.00 175.55 175.29 3i1t s ASP 83 N 1.63 6.23 0.00 4.32 -1.08 -1.26 -4.86 116.67 121.65 3i1t s ASP 83 Ca 0.02 0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.18 3i1t s ASP 83 Cb -0.20 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.02 3i1t s ASP 83 CO 0.07 -1.67 0.72 -0.81 0.52 0.00 0.00 175.17 173.99 3i1t n PRO 84 N 8.74 0.39 0.00 4.34 -0.04 -1.26 -1.51 135.00 145.66 3i1t n PRO 84 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3i1t n PRO 84 Cb 0.49 -1.20 0.10 0.00 -0.04 0.00 0.00 33.50 32.85 3i1t n PRO 84 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i1t n ASN 85 N -0.70 1.50 -3.75 3.54 4.13 -1.26 -4.91 115.26 113.81 3i1t n ASN 85 Ca 0.04 -1.19 -0.13 0.00 1.68 0.00 0.00 54.58 54.99 3i1t n ASN 85 Cb 0.02 0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 38.59 3i1t n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1t s ARG 86 N -2.60 0.38 0.34 3.52 1.70 -0.57 -5.03 118.95 116.69 3i1t s ARG 86 Ca 0.18 0.51 0.11 0.00 -0.47 0.00 0.00 55.73 56.06 3i1t s ARG 86 Cb 0.18 0.14 0.89 0.00 -0.57 0.00 0.00 34.95 35.60 3i1t s ARG 86 CO 0.61 -0.07 1.77 0.66 -1.08 0.00 0.00 175.30 177.19 3i1t h SER 87 N 5.91 0.65 -4.15 -2.89 4.64 -1.90 -3.43 113.55 112.37 3i1t h SER 87 Ca -0.29 0.10 -0.49 0.00 -0.47 0.00 0.00 61.79 60.64 3i1t h SER 87 Cb 1.18 -0.01 0.14 0.00 -0.31 0.00 0.00 62.40 63.40 3i1t h SER 87 CO 0.30 0.18 0.28 0.00 -0.87 0.00 0.00 176.83 176.71 3i1t s ALA 88 N -5.71 1.79 0.52 5.18 0.00 -1.26 -4.64 121.76 117.64 3i1t s ALA 88 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3i1t s ALA 88 Cb 0.25 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3i1t s ALA 88 CO 0.80 -2.14 0.02 0.09 0.00 0.00 0.00 175.76 174.52 3i1t n ASN 89 N -3.74 0.02 -3.71 0.00 5.03 -1.26 -4.50 115.26 107.10 3i1t n ASN 89 Ca 0.07 -1.02 -0.12 0.00 0.87 0.00 0.00 54.58 54.39 3i1t n ASN 89 Cb 0.55 -0.01 -0.07 0.00 -1.02 0.00 0.00 39.78 39.23 3i1t n ASN 89 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3i1t s ILE 90 N -0.08 0.07 0.09 2.41 2.07 -1.07 -3.63 121.20 121.05 3i1t s ILE 90 Ca 0.01 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3i1t s ILE 90 Cb -0.00 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 3i1t s ILE 90 CO 0.01 -0.32 -0.09 0.00 -1.91 0.00 0.00 174.94 172.63 3i1t s ALA 91 N -2.63 0.99 -0.16 1.50 0.00 -0.26 -2.56 121.76 118.63 3i1t s ALA 91 Ca -0.04 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 3i1t s ALA 91 Cb -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3i1t s ALA 91 CO -0.04 -0.08 0.36 -1.17 0.00 0.00 0.00 175.76 174.83 3i1t s LEU 92 N -2.43 4.23 -0.19 0.00 2.96 -1.12 -1.21 118.68 120.92 3i1t s LEU 92 Ca 0.04 0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 3i1t s LEU 92 Cb -0.02 -2.47 -0.21 0.00 0.50 0.00 0.00 46.19 43.99 3i1t s LEU 92 CO -0.01 0.03 0.25 0.55 -1.32 0.00 0.00 176.35 175.85 3i1t n VAL 93 N 3.80 1.60 -2.75 1.68 3.14 -1.02 0.75 118.33 125.52 3i1t n VAL 93 Ca -0.10 -0.18 -0.02 0.00 -2.96 0.00 0.00 64.34 61.08 3i1t n VAL 93 Cb 0.52 -1.97 -0.01 0.00 -1.06 0.00 0.00 33.84 31.31 3i1t n VAL 93 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3i1t n LEU 94 N -4.20 -4.56 -4.85 6.55 7.94 -1.26 -2.47 117.00 114.15 3i1t n LEU 94 Ca -0.32 1.48 -0.32 0.00 -1.11 0.00 0.00 56.01 55.73 3i1t n LEU 94 Cb 0.77 -2.13 -0.06 0.00 0.53 0.00 0.00 43.42 42.53 3i1t n LEU 94 CO 0.25 -2.99 0.44 -0.31 -1.11 0.00 0.00 177.39 173.67 3i1t s TYR 95 N -0.22 3.38 -1.03 1.96 2.02 -1.17 -1.73 117.35 120.56 3i1t s TYR 95 Ca -0.08 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 3i1t s TYR 95 Cb 0.01 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 3i1t s TYR 95 CO 0.22 0.05 0.15 1.63 -1.57 0.00 0.00 175.55 176.03 3i1t n LYS 96 N -0.49 0.30 0.00 -0.62 4.76 0.56 -3.83 118.16 118.83 3i1t n LYS 96 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3i1t n LYS 96 Cb 0.53 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 3i1t n LYS 96 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i1t n ASP 97 N 0.33 0.00 0.00 4.39 4.64 -1.26 -5.02 116.55 119.63 3i1t n ASP 97 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i1t n ASP 97 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 3i1t n ASP 97 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i1t n GLY 98 N 4.44 -0.38 3.51 0.27 0.00 -1.25 -5.13 105.19 106.64 3i1t n GLY 98 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3i1t n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1t n GLU 99 N -1.75 -0.26 -3.75 1.61 2.13 -1.26 -4.66 120.64 112.71 3i1t n GLU 99 Ca 0.00 -0.02 -0.18 0.00 0.66 0.00 0.00 57.16 57.61 3i1t n GLU 99 Cb 0.00 -2.04 -0.17 0.00 0.27 0.00 0.00 31.44 29.50 3i1t n GLU 99 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3i1t s ARG 100 N -3.87 0.04 0.35 5.31 0.52 -1.26 -3.04 118.95 116.99 3i1t s ARG 100 Ca 0.61 0.25 0.08 0.00 -0.52 0.00 0.00 55.73 56.16 3i1t s ARG 100 Cb -0.23 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 3i1t s ARG 100 CO 0.63 -0.25 0.12 1.03 0.02 0.00 0.00 175.30 176.85 3i1t s ARG 101 N 1.64 2.31 -0.30 3.54 0.52 -1.26 -4.88 118.95 120.52 3i1t s ARG 101 Ca -0.02 -1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 53.37 3i1t s ARG 101 Cb -0.13 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 3i1t s ARG 101 CO -0.03 0.09 0.69 0.71 0.02 0.00 0.00 175.30 176.79 3i1t s TYR 102 N -2.46 3.22 0.08 -0.53 2.02 -1.26 -2.44 117.35 115.98 3i1t s TYR 102 Ca 0.37 0.71 0.02 0.00 -0.37 0.00 0.00 57.07 57.81 3i1t s TYR 102 Cb -0.02 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 3i1t s TYR 102 CO 0.22 -0.49 0.12 -1.50 -1.57 0.00 0.00 175.55 172.34 3i1t s ILE 103 N 2.73 4.79 -0.76 2.71 1.10 -0.35 -1.14 121.20 130.28 3i1t s ILE 103 Ca 0.28 -0.67 -0.24 0.00 -0.51 0.00 0.00 60.65 59.51 3i1t s ILE 103 Cb -0.15 -3.33 0.06 0.00 0.15 0.00 0.00 42.46 39.19 3i1t s ILE 103 CO 0.11 0.12 1.16 -0.22 -2.11 0.00 0.00 174.94 174.00 3i1t s LEU 104 N -2.47 3.85 0.11 8.50 2.96 -1.26 -1.11 118.68 129.26 3i1t s LEU 104 Ca 0.31 -0.93 -0.36 0.00 -0.22 0.00 0.00 54.13 52.93 3i1t s LEU 104 Cb -0.12 -2.49 -0.16 0.00 0.50 0.00 0.00 46.19 43.92 3i1t s LEU 104 CO 0.24 -1.57 1.41 0.00 -1.32 0.00 0.00 176.35 175.10 3i1t n ALA 105 N 8.41 -0.34 -1.73 5.97 0.00 -1.24 -4.85 120.51 126.72 3i1t n ALA 105 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3i1t n ALA 105 Cb 0.48 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3i1t n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i1t n PRO 106 N 2.77 3.35 0.00 0.00 -0.05 -1.26 -1.26 135.00 138.56 3i1t n PRO 106 Ca 0.18 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.56 3i1t n PRO 106 Cb 0.22 0.00 0.10 0.00 -0.05 0.00 0.00 33.50 33.77 3i1t n PRO 106 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 175.50 177.02 3i1t h LYS 107 N 0.00 0.53 -4.39 0.54 2.10 -1.45 -2.63 116.57 111.28 3i1t h LYS 107 Ca 0.00 -0.29 -0.74 0.00 -2.00 0.00 0.00 60.65 57.62 3i1t h LYS 107 Cb 0.00 0.01 -0.22 0.00 -0.90 0.00 0.00 32.23 31.12 3i1t h LYS 107 CO 0.00 0.88 0.47 0.20 -2.00 0.00 0.00 179.45 178.99 3i1t s GLY 108 N -4.09 2.34 0.00 0.07 0.00 -1.26 -4.85 107.32 99.53 3i1t s GLY 108 Ca -0.07 -3.09 0.31 0.00 0.00 0.00 0.00 44.72 41.87 3i1t s GLY 108 CO 0.82 1.62 2.17 1.04 0.00 0.00 0.00 173.10 178.75 3i1t n LEU 109 N 5.14 0.00 -4.56 0.66 4.77 -1.26 -4.91 117.00 116.84 3i1t n LEU 109 Ca 0.19 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.70 3i1t n LEU 109 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3i1t n LEU 109 CO 0.42 0.00 0.59 1.17 -1.33 0.00 0.00 177.39 178.24 3i1t n LYS 110 N -0.99 1.08 -3.36 3.23 4.81 -1.26 -4.92 118.16 116.76 3i1t n LYS 110 Ca 0.23 0.38 -0.43 0.00 -0.87 0.00 0.00 58.31 57.62 3i1t n LYS 110 Cb 0.11 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.28 3i1t n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1t s ALA 111 N -0.57 3.47 0.00 3.14 0.00 -1.26 -3.68 121.76 122.86 3i1t s ALA 111 Ca 0.68 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3i1t s ALA 111 Cb -0.82 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3i1t s ALA 111 CO 0.55 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3i1t n GLY 112 N 5.16 -0.18 3.67 0.00 0.00 -1.21 -4.99 105.19 107.64 3i1t n GLY 112 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3i1t n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1t s ASP 113 N -0.16 6.75 -0.54 1.61 1.01 -1.24 -4.81 116.67 119.28 3i1t s ASP 113 Ca 0.00 2.16 -0.21 0.00 0.71 0.00 0.00 52.55 55.20 3i1t s ASP 113 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.44 3i1t s ASP 113 CO 0.00 -0.84 0.79 -1.58 0.21 0.00 0.00 175.17 173.74 3i1t s GLN 114 N 3.38 3.21 0.38 8.23 0.74 -1.26 -3.01 119.66 131.32 3i1t s GLN 114 Ca 0.68 -0.64 0.08 0.00 0.05 0.00 0.00 55.36 55.53 3i1t s GLN 114 Cb -0.32 -4.10 -0.06 0.00 1.10 0.00 0.00 33.01 29.63 3i1t s GLN 114 CO 0.27 -1.39 0.04 0.96 -0.55 0.00 0.00 175.29 174.62 3i1t s ILE 115 N 3.29 2.34 0.25 -2.34 -4.36 0.53 -4.93 121.20 115.99 3i1t s ILE 115 Ca 0.22 -1.93 -0.11 0.00 -0.26 0.00 0.00 60.65 58.57 3i1t s ILE 115 Cb -0.16 -2.89 0.04 0.00 1.25 0.00 0.00 42.46 40.70 3i1t s ILE 115 CO 0.15 -0.10 0.57 0.00 0.24 0.00 0.00 174.94 175.80 3i1t n GLN 116 N -1.02 0.73 -3.64 0.37 6.02 -1.26 -1.19 117.38 117.40 3i1t n GLN 116 Ca -0.04 -1.46 -0.12 0.00 -0.01 0.00 0.00 57.00 55.37 3i1t n GLN 116 Cb 0.64 1.84 -0.07 0.00 1.02 0.00 0.00 30.24 33.66 3i1t n GLN 116 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i1t s SER 117 N -2.47 -0.75 0.00 1.08 1.04 -1.26 -2.20 113.70 109.14 3i1t s SER 117 Ca 0.12 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.94 3i1t s SER 117 Cb -0.03 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.47 3i1t s SER 117 CO 0.07 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3i1t n GLY 118 N 3.06 2.23 0.27 7.32 0.00 -1.14 -0.30 105.19 116.64 3i1t n GLY 118 Ca -0.15 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3i1t n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i1t h VAL 119 N 0.83 0.63 0.00 1.61 2.07 -1.99 -3.26 116.25 116.14 3i1t h VAL 119 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3i1t h VAL 119 Cb 0.00 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3i1t h VAL 119 CO 0.00 0.06 0.00 -0.90 0.02 0.00 0.00 177.57 176.75 3i1t n ASP 120 N -3.86 0.00 -1.41 0.57 3.85 -1.26 -4.93 116.55 109.51 3i1t n ASP 120 Ca -0.02 0.05 0.19 0.00 -0.71 0.00 0.00 54.79 54.29 3i1t n ASP 120 Cb 0.16 -0.08 -0.06 0.00 -1.35 0.00 0.00 41.12 39.79 3i1t n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1t n ALA 121 N -1.10 -3.73 -1.24 2.12 0.00 -1.23 -4.90 120.51 110.43 3i1t n ALA 121 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i1t n ALA 121 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3i1t n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 122 N -2.71 0.00 0.00 0.00 0.00 -1.26 -5.04 120.51 111.50 3i1t n ALA 122 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1t n ALA 122 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3i1t n ALA 122 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i1t n ILE 123 N 0.00 0.00 -0.97 0.00 0.13 -1.26 -5.01 119.36 112.25 3i1t n ILE 123 Ca 0.00 -0.01 -0.33 0.00 -1.10 0.00 0.00 62.75 61.31 3i1t n ILE 123 Cb 0.00 0.88 0.12 0.00 -0.84 0.00 0.00 39.64 39.80 3i1t n ILE 123 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 3i1t n LYS 124 N -0.02 -0.05 -1.31 9.51 2.85 -1.26 -4.84 118.16 123.04 3i1t n LYS 124 Ca 0.00 0.05 -0.35 0.00 -1.05 0.00 0.00 58.31 56.95 3i1t n LYS 124 Cb 0.00 -2.11 0.09 0.00 -0.65 0.00 0.00 35.03 32.36 3i1t n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3i1t n PRO 125 N -2.38 0.45 -1.20 -1.58 -0.04 -1.26 -3.02 135.00 125.97 3i1t n PRO 125 Ca 0.10 0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 3i1t n PRO 125 Cb 0.52 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3i1t n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1t n GLY 126 N 1.05 0.62 3.16 0.55 0.00 0.14 -4.87 105.19 105.84 3i1t n GLY 126 Ca 0.13 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3i1t n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1t s ASN 127 N -2.95 3.06 -0.05 1.61 -0.87 -1.17 -4.20 114.94 110.37 3i1t s ASN 127 Ca 0.00 -0.59 -0.12 0.00 -1.57 0.00 0.00 52.86 50.58 3i1t s ASN 127 Cb 0.00 -1.42 -0.05 0.00 -0.02 0.00 0.00 41.25 39.76 3i1t s ASN 127 CO 0.00 0.08 0.31 -0.89 -2.57 0.00 0.00 177.10 174.03 3i1t s THR 128 N 0.83 5.21 -0.27 1.60 2.01 -0.93 -2.19 115.64 121.89 3i1t s THR 128 Ca -0.07 0.61 -0.26 0.00 0.31 0.00 0.00 61.69 62.28 3i1t s THR 128 Cb -0.15 -3.60 0.15 0.00 0.01 0.00 0.00 72.50 68.90 3i1t s THR 128 CO -0.02 0.58 1.19 -1.48 -0.69 0.00 0.00 174.62 174.20 3i1t s LEU 129 N -0.95 -0.28 0.10 4.42 2.34 -1.26 -2.87 118.68 120.19 3i1t s LEU 129 Ca 0.20 0.50 -0.36 0.00 0.06 0.00 0.00 54.13 54.54 3i1t s LEU 129 Cb -0.15 1.57 -0.16 0.00 -0.56 0.00 0.00 46.19 46.89 3i1t s LEU 129 CO 0.10 -0.12 1.44 -0.81 -1.06 0.00 0.00 176.35 175.89 3i1t n PRO 130 N 1.72 1.51 0.00 1.48 -0.04 -1.26 -2.80 135.00 135.60 3i1t n PRO 130 Ca -0.11 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 3i1t n PRO 130 Cb 0.57 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3i1t n PRO 130 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3i1t n MET 131 N 2.93 0.00 -0.14 0.54 2.81 -1.16 0.38 117.12 122.48 3i1t n MET 131 Ca 0.18 0.37 0.15 0.00 -1.81 0.00 0.00 57.70 56.60 3i1t n MET 131 Cb 0.22 -1.60 0.52 0.00 -0.71 0.00 0.00 33.22 31.66 3i1t n MET 131 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i1t h ARG 132 N 0.00 0.36 -0.33 0.03 9.65 -1.86 -3.14 114.38 119.09 3i1t h ARG 132 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3i1t h ARG 132 Cb 0.21 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3i1t h ARG 132 CO 0.00 0.24 0.00 0.09 2.80 0.00 0.00 179.97 183.10 3i1t n ASN 133 N -4.46 2.87 -4.31 -3.80 3.02 0.16 -4.96 115.26 103.78 3i1t n ASN 133 Ca 0.13 -1.97 -0.32 0.00 -0.03 0.00 0.00 54.58 52.38 3i1t n ASN 133 Cb 0.52 -0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 39.31 3i1t n ASN 133 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i1t s ILE 134 N -1.00 2.55 0.64 2.41 -4.36 -1.19 -5.04 121.20 115.22 3i1t s ILE 134 Ca 0.22 -0.86 -0.17 0.00 -0.26 0.00 0.00 60.65 59.59 3i1t s ILE 134 Cb 0.12 -2.01 -0.07 0.00 1.25 0.00 0.00 42.46 41.75 3i1t s ILE 134 CO 0.16 0.55 0.50 -0.81 0.24 0.00 0.00 174.94 175.57 3i1t n PRO 135 N 3.35 0.41 -2.38 0.37 -0.04 -1.26 -4.93 135.00 130.52 3i1t n PRO 135 Ca -0.18 0.17 -0.36 0.00 -0.04 0.00 0.00 63.50 63.09 3i1t n PRO 135 Cb 0.53 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 3i1t n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i1t s VAL 136 N -1.80 3.40 0.00 0.52 -7.23 -1.26 -3.07 120.40 110.95 3i1t s VAL 136 Ca 0.67 0.97 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 3i1t s VAL 136 Cb -0.40 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.09 3i1t s VAL 136 CO 0.56 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 3i1t n GLY 137 N 0.21 2.63 3.75 2.32 0.00 0.21 -4.98 105.19 109.34 3i1t n GLY 137 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i1t n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1t s SER 138 N -1.41 6.41 -0.22 1.61 0.01 -1.17 -4.55 113.70 114.39 3i1t s SER 138 Ca 0.00 2.92 -0.23 0.00 1.31 0.00 0.00 55.95 59.95 3i1t s SER 138 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3i1t s SER 138 CO 0.00 -0.88 0.75 0.42 0.41 0.00 0.00 173.24 173.94 3i1t s THR 139 N -0.14 4.92 0.00 1.44 -4.23 -1.26 -3.05 115.64 113.31 3i1t s THR 139 Ca 0.61 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 62.54 3i1t s THR 139 Cb -0.47 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.33 3i1t s THR 139 CO 0.49 0.01 0.00 1.33 -0.54 0.00 0.00 174.62 175.91 3i1t n VAL 140 N 4.98 0.00 0.00 2.29 0.24 0.23 -2.11 118.33 123.96 3i1t n VAL 140 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3i1t n VAL 140 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i1t n VAL 140 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3i1t n HIS 141 N 0.00 0.00 -2.80 6.34 -0.00 -1.01 -2.94 115.22 114.80 3i1t n HIS 141 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 3i1t n HIS 141 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 3i1t n HIS 141 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3i1t n ASN 142 N -0.21 5.86 -4.69 0.26 2.85 0.22 -4.54 115.26 115.00 3i1t n ASN 142 Ca 0.00 -3.69 -0.43 0.00 -0.11 0.00 0.00 54.58 50.35 3i1t n ASN 142 Cb 0.00 -0.85 -0.03 0.00 1.24 0.00 0.00 39.78 40.14 3i1t n ASN 142 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3i1t n VAL 143 N -0.15 0.32 -1.86 3.44 0.31 -1.13 -4.55 118.33 114.71 3i1t n VAL 143 Ca 0.39 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 64.35 3i1t n VAL 143 Cb 0.33 -2.08 0.02 0.00 -0.91 0.00 0.00 33.84 31.21 3i1t n VAL 143 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i1t s GLU 144 N 2.55 3.30 -0.07 5.55 2.12 -1.10 -2.87 118.70 128.18 3i1t s GLU 144 Ca 0.82 0.66 0.00 0.00 0.36 0.00 0.00 54.97 56.81 3i1t s GLU 144 Cb -0.50 -2.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 3i1t s GLU 144 CO 0.37 -0.76 -0.07 -1.33 -0.54 0.00 0.00 175.26 172.93 3i1t n MET 145 N -2.86 0.18 -4.29 4.30 2.81 -1.26 -4.85 117.12 111.15 3i1t n MET 145 Ca 0.06 0.05 -0.35 0.00 -1.81 0.00 0.00 57.70 55.65 3i1t n MET 145 Cb 0.55 -1.10 -0.09 0.00 -0.71 0.00 0.00 33.22 31.86 3i1t n MET 145 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i1t s LYS 146 N -2.15 3.23 0.00 0.03 -0.14 -1.26 -4.01 119.74 115.44 3i1t s LYS 146 Ca -0.10 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 3i1t s LYS 146 Cb 0.03 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 3i1t s LYS 146 CO 0.17 0.60 0.69 -0.35 -0.76 0.00 0.00 175.35 175.70 3i1t n PRO 147 N 2.46 0.00 0.00 -1.68 -0.04 -1.26 -0.56 135.00 133.92 3i1t n PRO 147 Ca -0.18 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3i1t n PRO 147 Cb 0.53 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3i1t n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1t n GLY 148 N -1.19 1.00 0.09 0.55 0.00 -1.26 -4.82 105.19 99.56 3i1t n GLY 148 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3i1t n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 149 N 0.00 0.09 0.00 1.61 4.81 0.28 -4.80 118.16 120.16 3i1t n LYS 149 Ca 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3i1t n LYS 149 Cb 0.20 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.51 3i1t n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1t n GLY 150 N -0.89 1.13 0.55 3.14 0.00 -1.26 -4.93 105.19 102.93 3i1t n GLY 150 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i1t n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 151 N 0.00 -2.41 2.68 -0.02 0.00 -1.26 0.02 105.19 104.20 3i1t n GLY 151 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 3i1t n GLY 151 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i1t s GLN 152 N -2.53 0.48 -0.30 1.61 1.03 -1.14 -4.75 119.66 114.07 3i1t s GLN 152 Ca 0.00 -0.72 -0.18 0.00 0.04 0.00 0.00 55.36 54.51 3i1t s GLN 152 Cb 0.00 -0.87 0.19 0.00 0.03 0.00 0.00 33.01 32.36 3i1t s GLN 152 CO 0.00 -1.13 1.21 -1.17 -2.54 0.00 0.00 175.29 171.65 3i1t s LEU 153 N 1.70 -0.19 -0.72 2.60 2.96 -1.20 -4.86 118.68 118.97 3i1t s LEU 153 Ca 0.14 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3i1t s LEU 153 Cb -0.17 1.29 0.01 0.00 0.50 0.00 0.00 46.19 47.82 3i1t s LEU 153 CO -0.15 -0.05 0.66 0.00 -1.32 0.00 0.00 176.35 175.49 3i1t n ALA 154 N 2.96 -2.63 0.00 5.97 0.00 -1.26 -2.83 120.51 122.71 3i1t n ALA 154 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i1t n ALA 154 Cb 0.57 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i1t n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t n ARG 155 N -1.76 3.59 -2.23 0.00 1.74 -1.26 -4.31 116.66 112.43 3i1t n ARG 155 Ca -0.08 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.61 3i1t n ARG 155 Cb 0.56 -0.61 -0.02 0.00 -1.02 0.00 0.00 32.46 31.37 3i1t n ARG 155 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1t s SER 156 N -1.13 6.53 -0.43 0.55 0.15 -1.26 -4.46 113.70 113.66 3i1t s SER 156 Ca 0.00 2.45 -0.46 0.00 0.70 0.00 0.00 55.95 58.64 3i1t s SER 156 Cb 0.00 -2.62 -0.19 0.00 -1.71 0.00 0.00 66.02 61.49 3i1t s SER 156 CO 0.00 -0.68 1.57 0.00 1.20 0.00 0.00 173.24 175.34 3i1t n ALA 157 N 0.22 -1.41 -0.02 5.45 0.00 -1.26 -1.02 120.51 122.46 3i1t n ALA 157 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3i1t n ALA 157 Cb 0.45 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3i1t n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 158 N 3.81 1.35 3.77 0.00 0.00 -0.71 -4.53 105.19 108.88 3i1t n GLY 158 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 3i1t n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i1t s THR 159 N -2.48 1.93 -0.28 2.61 -4.23 -0.19 -4.67 115.64 108.33 3i1t s THR 159 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 3i1t s THR 159 Cb 0.00 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.29 3i1t s THR 159 CO 0.00 0.00 1.36 -0.72 -0.54 0.00 0.00 174.62 174.72 3i1t s TYR 160 N -3.30 -0.03 0.05 3.99 -0.85 -1.26 -1.38 117.35 114.56 3i1t s TYR 160 Ca 0.66 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 57.30 3i1t s TYR 160 Cb -0.13 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 3i1t s TYR 160 CO 0.54 -0.04 -0.13 0.08 -1.52 0.00 0.00 175.55 174.48 3i1t s VAL 161 N -1.52 1.03 0.14 -3.49 1.01 -1.26 -3.83 120.40 112.47 3i1t s VAL 161 Ca 0.10 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.07 3i1t s VAL 161 Cb -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3i1t s VAL 161 CO -0.05 -0.10 -0.01 -1.10 0.00 0.00 0.00 175.10 173.84 3i1t s GLN 162 N -1.32 2.45 -0.42 2.72 -0.21 -1.01 0.77 119.66 122.64 3i1t s GLN 162 Ca -0.01 -0.99 -0.06 0.00 0.02 0.00 0.00 55.36 54.32 3i1t s GLN 162 Cb -0.08 -2.43 0.10 0.00 1.00 0.00 0.00 33.01 31.59 3i1t s GLN 162 CO 0.01 0.49 0.24 0.42 -2.12 0.00 0.00 175.29 174.34 3i1t s ILE 163 N -1.52 3.80 0.08 1.08 1.01 -1.17 -0.61 121.20 123.86 3i1t s ILE 163 Ca 0.26 -1.72 0.02 0.00 0.00 0.00 0.00 60.65 59.21 3i1t s ILE 163 Cb -0.10 -3.45 -0.25 0.00 0.01 0.00 0.00 42.46 38.67 3i1t s ILE 163 CO 0.18 -0.61 1.12 0.58 0.00 0.00 0.00 174.94 176.22 3i1t h VAL 164 N 6.22 1.50 -2.71 2.92 2.07 -1.70 0.61 116.25 125.16 3i1t h VAL 164 Ca -0.19 -3.16 0.09 0.00 0.82 0.00 0.00 66.70 64.26 3i1t h VAL 164 Cb 1.07 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 3i1t h VAL 164 CO 0.75 0.89 0.43 0.00 0.02 0.00 0.00 177.57 179.66 3i1t s ALA 165 N -2.67 -1.26 -0.17 1.67 0.00 -1.16 -4.80 121.76 113.37 3i1t s ALA 165 Ca -0.02 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.57 3i1t s ALA 165 Cb 0.08 0.72 0.21 0.00 0.00 0.00 0.00 23.12 24.13 3i1t s ALA 165 CO 0.85 -1.03 1.26 2.89 0.00 0.00 0.00 175.76 179.73 3i1t n ARG 166 N -0.59 0.69 -2.14 0.00 1.85 -1.26 -1.60 116.66 113.60 3i1t n ARG 166 Ca -0.05 -1.09 -0.42 0.00 -1.00 0.00 0.00 57.85 55.29 3i1t n ARG 166 Cb 0.60 0.46 -0.03 0.00 -1.05 0.00 0.00 32.46 32.44 3i1t n ARG 166 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3i1t s ASP 167 N -1.05 6.77 0.00 2.89 -1.08 -1.24 -4.64 116.67 118.32 3i1t s ASP 167 Ca 0.05 2.12 0.00 0.00 -0.52 0.00 0.00 52.55 54.20 3i1t s ASP 167 Cb 0.23 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3i1t s ASP 167 CO -0.07 -0.83 0.00 0.61 0.52 0.00 0.00 175.17 175.40 3i1t n GLY 168 N 3.88 -1.78 0.00 2.66 0.00 -1.26 -4.30 105.19 104.39 3i1t n GLY 168 Ca 0.15 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.38 3i1t n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 169 N 0.05 2.49 -2.61 4.61 0.00 -1.26 -4.78 120.51 119.00 3i1t n ALA 169 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3i1t n ALA 169 Cb 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 3i1t n ALA 169 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i1t s TYR 170 N -2.00 2.78 -0.09 0.00 4.12 -1.26 -4.32 117.35 116.58 3i1t s TYR 170 Ca 0.30 -0.15 0.04 0.00 0.02 0.00 0.00 57.07 57.29 3i1t s TYR 170 Cb 0.14 -1.41 0.00 0.00 -1.52 0.00 0.00 41.96 39.17 3i1t s TYR 170 CO 0.23 0.47 -0.23 0.08 0.02 0.00 0.00 175.55 176.13 3i1t s VAL 171 N -1.43 1.94 -0.18 0.71 1.01 -1.14 -3.64 120.40 117.68 3i1t s VAL 171 Ca 0.24 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3i1t s VAL 171 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3i1t s VAL 171 CO 0.16 0.53 0.10 0.42 0.00 0.00 0.00 175.10 176.31 3i1t s THR 172 N 0.34 5.10 0.22 3.92 -4.23 -0.63 -1.16 115.64 119.20 3i1t s THR 172 Ca -0.17 0.07 0.10 0.00 -1.18 0.00 0.00 61.69 60.51 3i1t s THR 172 Cb -0.17 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 3i1t s THR 172 CO 0.08 0.48 -0.19 -1.48 -0.54 0.00 0.00 174.62 172.97 3i1t s LEU 173 N 0.12 2.52 -0.40 4.79 -0.00 -0.56 -1.76 118.68 123.39 3i1t s LEU 173 Ca 0.07 -0.96 -0.16 0.00 -0.00 0.00 0.00 54.13 53.07 3i1t s LEU 173 Cb -0.12 -0.95 0.01 0.00 -0.00 0.00 0.00 46.19 45.14 3i1t s LEU 173 CO -0.00 -0.01 0.40 -0.60 -0.00 0.00 0.00 176.35 176.14 3i1t s ARG 174 N -3.23 3.17 0.29 1.48 6.06 0.21 -2.57 118.95 124.37 3i1t s ARG 174 Ca 0.23 -0.73 -0.14 0.00 -2.50 0.00 0.00 55.73 52.60 3i1t s ARG 174 Cb -0.05 -3.94 -0.08 0.00 0.06 0.00 0.00 34.95 30.94 3i1t s ARG 174 CO 0.10 -0.77 0.68 -0.51 -2.50 0.00 0.00 175.30 172.30 3i1t s LEU 175 N 2.04 4.11 0.55 -0.88 1.43 -0.18 -2.39 118.68 123.36 3i1t s LEU 175 Ca 0.11 1.18 0.38 0.00 -1.03 0.00 0.00 54.13 54.78 3i1t s LEU 175 Cb -0.17 -3.93 1.57 0.00 0.03 0.00 0.00 46.19 43.69 3i1t s LEU 175 CO 0.13 -0.15 1.77 0.03 0.23 0.00 0.00 176.35 178.35 3i1t h ARG 176 N 2.42 0.00 0.00 1.70 2.47 -1.87 2.84 114.38 121.94 3i1t h ARG 176 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3i1t h ARG 176 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3i1t h ARG 176 CO 0.66 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 180.06 3i1t n SER 177 N -4.11 0.40 0.00 7.04 3.41 -1.26 -4.85 113.62 114.25 3i1t n SER 177 Ca 0.28 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 3i1t n SER 177 Cb 1.34 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3i1t n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1t n GLY 178 N 0.23 3.03 3.57 5.00 0.00 0.95 -4.67 105.19 113.31 3i1t n GLY 178 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3i1t n GLY 178 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1t n GLU 179 N -0.80 1.24 -3.97 1.61 2.13 -1.16 -4.52 120.64 115.16 3i1t n GLU 179 Ca 0.00 0.44 -0.33 0.00 0.66 0.00 0.00 57.16 57.92 3i1t n GLU 179 Cb 0.00 -1.80 -0.14 0.00 0.27 0.00 0.00 31.44 29.77 3i1t n GLU 179 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3i1t s MET 180 N -1.57 2.12 0.24 5.31 -1.94 -0.98 -1.01 119.30 121.48 3i1t s MET 180 Ca 0.59 -1.49 0.11 0.00 -1.71 0.00 0.00 55.69 53.20 3i1t s MET 180 Cb -0.70 -3.13 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 3i1t s MET 180 CO 0.59 -0.72 -0.19 0.50 -0.01 0.00 0.00 175.02 175.20 3i1t s ARG 181 N 1.11 1.72 0.19 2.03 3.52 -1.06 -1.64 118.95 124.82 3i1t s ARG 181 Ca -0.02 -1.60 -0.12 0.00 -0.13 0.00 0.00 55.73 53.86 3i1t s ARG 181 Cb -0.20 -1.87 -0.07 0.00 -1.56 0.00 0.00 34.95 31.25 3i1t s ARG 181 CO -0.04 0.37 0.55 0.15 -0.81 0.00 0.00 175.30 175.52 3i1t s LYS 182 N -3.16 3.91 0.32 5.12 1.02 0.75 -1.50 119.74 126.19 3i1t s LYS 182 Ca 0.26 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.69 3i1t s LYS 182 Cb -0.07 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 3i1t s LYS 182 CO 0.14 0.40 0.10 0.54 -0.92 0.00 0.00 175.35 175.61 3i1t s VAL 183 N -1.63 0.75 -0.52 3.17 0.11 -0.31 -4.87 120.40 117.11 3i1t s VAL 183 Ca 0.42 -2.00 0.16 0.00 -2.93 0.00 0.00 61.98 57.63 3i1t s VAL 183 Cb -0.13 -2.62 0.16 0.00 -1.53 0.00 0.00 36.38 32.26 3i1t s VAL 183 CO 0.20 0.00 1.48 -0.62 -3.33 0.00 0.00 175.10 172.83 3i1t n GLU 184 N -0.65 0.10 -3.78 1.54 -0.58 -1.26 -2.88 120.64 113.14 3i1t n GLU 184 Ca -0.02 0.54 -0.30 0.00 -0.42 0.00 0.00 57.16 56.96 3i1t n GLU 184 Cb 0.66 -1.79 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 3i1t n GLU 184 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1t n ALA 185 N -1.68 -2.38 -0.02 0.62 0.00 -1.26 -4.65 120.51 111.14 3i1t n ALA 185 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i1t n ALA 185 Cb 0.07 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.28 3i1t n ALA 185 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1t n ASP 186 N -2.75 0.00 -4.01 0.00 4.64 -1.26 -4.31 116.55 108.85 3i1t n ASP 186 Ca -0.16 -0.01 -0.25 0.00 -1.38 0.00 0.00 54.79 52.99 3i1t n ASP 186 Cb 0.62 0.00 -0.17 0.00 -1.04 0.00 0.00 41.12 40.53 3i1t n ASP 186 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i1t n ARG 188 N 3.96 -1.15 0.00 0.00 3.00 -1.26 -2.97 116.66 118.23 3i1t n ARG 188 Ca -0.22 -0.31 0.00 0.00 -0.01 0.00 0.00 57.85 57.32 3i1t n ARG 188 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.13 3i1t n ARG 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1t n ALA 189 N -4.17 2.57 0.00 7.54 0.00 -1.12 -2.71 120.51 122.62 3i1t n ALA 189 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 189 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i1t n ALA 189 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1t n THR 190 N -2.48 -0.70 -3.63 0.00 -1.04 -1.24 -0.61 114.28 104.57 3i1t n THR 190 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3i1t n THR 190 Cb 0.00 -0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.39 3i1t n THR 190 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i1t s LEU 191 N -1.34 4.37 0.00 -4.42 2.01 -0.93 -2.41 118.68 115.95 3i1t s LEU 191 Ca 0.00 0.73 0.00 0.00 0.01 0.00 0.00 54.13 54.87 3i1t s LEU 191 Cb 0.00 -2.81 0.00 0.00 0.01 0.00 0.00 46.19 43.39 3i1t s LEU 191 CO 0.00 0.22 0.00 0.61 1.01 0.00 0.00 176.35 178.19 3i1t n GLY 192 N 1.10 1.89 3.51 -3.19 0.00 -0.90 0.25 105.19 107.86 3i1t n GLY 192 Ca -0.10 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3i1t n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1t n GLU 193 N 2.66 0.83 -1.83 1.61 4.71 -1.15 -4.18 120.64 123.29 3i1t n GLU 193 Ca 0.00 0.30 -0.42 0.00 -0.01 0.00 0.00 57.16 57.03 3i1t n GLU 193 Cb 0.00 -1.70 -0.03 0.00 -1.01 0.00 0.00 31.44 28.70 3i1t n GLU 193 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i1t s VAL 194 N -1.38 2.40 0.00 2.62 0.11 -0.48 -1.30 120.40 122.36 3i1t s VAL 194 Ca 0.64 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 3i1t s VAL 194 Cb -0.59 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 3i1t s VAL 194 CO 0.57 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 3i1t n GLY 195 N 3.90 -1.96 6.30 6.54 0.00 -0.39 -2.12 105.19 117.47 3i1t n GLY 195 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i1t n GLY 195 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1t n ASN 196 N -1.36 0.00 0.00 1.61 4.05 -1.26 -1.74 115.26 116.56 3i1t n ASN 196 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3i1t n ASN 196 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3i1t n ASN 196 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1t n ALA 197 N 4.78 0.00 -1.71 5.20 0.00 -1.26 -4.77 120.51 122.75 3i1t n ALA 197 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3i1t n ALA 197 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i1t n ALA 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i1t s GLU 198 N 0.00 1.46 0.00 0.00 -1.05 -1.26 -3.43 118.70 114.42 3i1t s GLU 198 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 3i1t s GLU 198 Cb 0.00 -5.03 0.00 0.00 -0.44 0.00 0.00 34.13 28.66 3i1t s GLU 198 CO 0.00 -5.15 0.00 1.58 0.95 0.00 0.00 175.26 172.64 3i1t n HIS 199 N 18.56 0.00 1.59 4.83 -0.00 -1.26 -4.79 115.22 134.15 3i1t n HIS 199 Ca 0.42 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.66 3i1t n HIS 199 Cb 0.47 0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.56 3i1t n HIS 199 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i1t n MET 200 N -0.48 1.33 0.02 1.57 0.00 -1.22 -2.96 117.12 115.38 3i1t n MET 200 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 57.70 57.24 3i1t n MET 200 Cb 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 33.22 31.92 3i1t n MET 200 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3i1t n LEU 201 N -0.17 0.49 -4.53 3.17 4.77 -1.26 -4.93 117.00 114.54 3i1t n LEU 201 Ca 0.09 0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 3i1t n LEU 201 Cb 0.14 0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3i1t n LEU 201 CO 0.07 0.07 0.29 -2.11 -1.33 0.00 0.00 177.39 174.37 3i1t n ARG 202 N -2.63 0.76 0.00 3.23 1.85 -1.15 -4.89 116.66 113.82 3i1t n ARG 202 Ca -0.09 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 3i1t n ARG 202 Cb 0.74 -1.87 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 3i1t n ARG 202 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 3i1t n VAL 203 N -1.43 0.00 0.00 8.89 3.14 -1.03 -4.96 118.33 122.94 3i1t n VAL 203 Ca 0.12 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3i1t n VAL 203 Cb 0.45 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.41 3i1t n VAL 203 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3i1t n LEU 204 N -0.03 0.00 0.00 6.55 4.77 -1.26 -4.69 117.00 122.34 3i1t n LEU 204 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1t n LEU 204 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3i1t n LEU 204 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3i1t n GLY 205 N 0.00 2.80 2.95 -0.72 0.00 -1.26 -4.21 105.19 104.75 3i1t n GLY 205 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 3i1t n GLY 205 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i1t n LYS 206 N 0.00 0.50 0.28 1.61 2.85 -1.26 -4.62 118.16 117.52 3i1t n LYS 206 Ca 0.00 -2.74 -0.11 0.00 -1.05 0.00 0.00 58.31 54.41 3i1t n LYS 206 Cb 0.00 2.44 -0.05 0.00 -0.65 0.00 0.00 35.03 36.76 3i1t n LYS 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1t h ALA 207 N 1.96 -0.97 -0.01 0.58 0.00 -1.97 -3.30 119.26 115.56 3i1t h ALA 207 Ca -0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i1t h ALA 207 Cb 1.07 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i1t h ALA 207 CO 0.32 -0.92 0.21 0.78 0.00 0.00 0.00 179.25 179.64 3i1t h GLY 208 N -0.87 0.00 1.41 0.00 0.00 -1.98 0.24 103.07 101.87 3i1t h GLY 208 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3i1t h GLY 208 CO 0.12 0.00 0.27 0.00 0.00 0.00 0.00 176.54 176.93 3i1t h ALA 209 N 1.60 1.43 0.24 3.60 0.00 -1.94 0.97 119.26 125.16 3i1t h ALA 209 Ca 0.01 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 3i1t h ALA 209 Cb 0.42 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.01 3i1t h ALA 209 CO -0.00 0.45 -1.53 0.00 0.00 0.00 0.00 179.25 178.17 3i1t h ALA 210 N 1.52 -0.09 -0.01 0.00 0.00 -0.70 -3.13 119.26 116.85 3i1t h ALA 210 Ca 0.19 -0.93 0.02 0.00 0.00 0.00 0.00 54.91 54.20 3i1t h ALA 210 Cb 0.08 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i1t h ALA 210 CO -0.03 0.76 -0.10 0.00 0.00 0.00 0.00 179.25 179.89 3i1t h ARG 211 N 0.12 -0.16 -1.03 0.00 2.47 -1.27 0.53 114.38 115.04 3i1t h ARG 211 Ca -0.28 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 3i1t h ARG 211 Cb 2.14 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.50 3i1t h ARG 211 CO 0.25 -0.10 0.00 -2.67 0.56 0.00 0.00 179.97 178.01 3i1t n TRP 212 N -5.22 0.00 0.00 3.04 2.14 0.33 -3.69 117.44 114.04 3i1t n TRP 212 Ca -0.05 -0.29 0.00 0.00 2.07 0.00 0.00 57.50 59.23 3i1t n TRP 212 Cb 0.15 -0.18 0.00 0.00 -0.81 0.00 0.00 31.31 30.47 3i1t n TRP 212 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 3i1t n ARG 213 N 0.37 0.00 0.00 -2.67 0.63 0.12 -4.61 116.66 110.50 3i1t n ARG 213 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1t n ARG 213 Cb 0.37 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.28 3i1t n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1t n GLY 214 N 4.98 -0.19 3.71 5.14 0.00 -1.03 -2.52 105.19 115.27 3i1t n GLY 214 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i1t n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1t s VAL 215 N -0.12 5.05 0.29 1.61 1.01 -0.82 -1.64 120.40 125.78 3i1t s VAL 215 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 3i1t s VAL 215 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3i1t s VAL 215 CO 0.00 0.50 0.53 -0.13 0.00 0.00 0.00 175.10 175.99 3i1t s ARG 216 N 0.01 3.57 1.11 2.72 1.81 0.15 -3.76 118.95 124.55 3i1t s ARG 216 Ca 0.07 -0.15 -0.17 0.00 -1.72 0.00 0.00 55.73 53.76 3i1t s ARG 216 Cb -0.12 -2.68 0.16 0.00 -0.45 0.00 0.00 34.95 31.87 3i1t s ARG 216 CO 0.00 0.22 0.23 -2.30 -0.68 0.00 0.00 175.30 172.77 3i1t n PRO 217 N -1.16 -2.26 -3.68 3.54 -0.02 -1.26 -4.61 135.00 125.54 3i1t n PRO 217 Ca -0.03 -0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 60.60 3i1t n PRO 217 Cb 0.55 -1.61 -0.18 0.00 -0.02 0.00 0.00 33.50 32.24 3i1t n PRO 217 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i1t s THR 218 N -2.14 -0.12 -0.31 3.45 2.01 -1.26 -4.64 115.64 112.63 3i1t s THR 218 Ca 0.48 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 3i1t s THR 218 Cb -0.09 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3i1t s THR 218 CO 0.50 0.17 0.28 -0.69 -0.69 0.00 0.00 174.62 174.18 3i1t s VAL 219 N 2.05 5.24 0.27 3.82 1.01 -1.26 -5.05 120.40 126.49 3i1t s VAL 219 Ca 0.03 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 3i1t s VAL 219 Cb -0.12 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 3i1t s VAL 219 CO -0.03 0.08 1.19 -0.13 0.00 0.00 0.00 175.10 176.21 3i1t s ARG 220 N 1.87 4.51 0.24 2.72 0.52 -1.26 -4.92 118.95 122.63 3i1t s ARG 220 Ca 0.09 1.95 -0.15 0.00 -0.52 0.00 0.00 55.73 57.11 3i1t s ARG 220 Cb -0.16 -3.17 0.30 0.00 0.52 0.00 0.00 34.95 32.44 3i1t s ARG 220 CO 0.11 0.01 1.56 0.78 0.02 0.00 0.00 175.30 177.78 3i1t h GLY 221 N 4.10 0.27 1.88 -3.53 0.00 -1.96 0.69 103.07 104.53 3i1t h GLY 221 Ca -0.47 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3i1t h GLY 221 CO 0.69 -0.26 0.06 0.00 0.00 0.00 0.00 176.54 177.03 3i1t h THR 222 N -0.01 0.00 0.00 4.70 1.03 -1.91 -1.67 112.91 115.05 3i1t h THR 222 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.78 3i1t h THR 222 Cb 0.63 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 3i1t h THR 222 CO -0.97 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 174.54 3i1t h ALA 223 N 1.88 1.00 -3.21 0.00 0.00 0.05 -3.20 119.26 115.78 3i1t h ALA 223 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1t h ALA 223 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i1t h ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3i1t n MET 224 N -3.07 2.89 -4.13 0.00 0.00 -0.64 -4.99 117.12 107.17 3i1t n MET 224 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.44 3i1t n MET 224 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.64 3i1t n MET 224 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3i1t s ASN 225 N -0.50 5.05 0.13 3.17 -0.87 -1.26 -3.75 114.94 116.90 3i1t s ASN 225 Ca 0.00 -0.19 -0.23 0.00 -1.57 0.00 0.00 52.86 50.87 3i1t s ASN 225 Cb 0.00 -1.20 -0.04 0.00 -0.02 0.00 0.00 41.25 39.99 3i1t s ASN 225 CO 0.00 0.16 1.19 -2.65 -2.57 0.00 0.00 177.10 173.23 3i1t n PRO 226 N 0.47 -0.33 -0.32 -0.60 -0.02 -1.25 0.11 135.00 133.06 3i1t n PRO 226 Ca -0.10 1.16 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 3i1t n PRO 226 Cb 0.52 -1.71 0.22 0.00 -0.02 0.00 0.00 33.50 32.51 3i1t n PRO 226 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i1t n VAL 227 N -4.97 -0.38 0.08 -1.45 0.24 -1.26 -1.93 118.33 108.65 3i1t n VAL 227 Ca 0.02 2.04 -0.10 0.00 -2.04 0.00 0.00 64.34 64.26 3i1t n VAL 227 Cb 0.21 -2.92 -0.06 0.00 -1.47 0.00 0.00 33.84 29.59 3i1t n VAL 227 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3i1t h ASP 228 N 0.00 -0.23 -4.37 -1.34 3.32 0.41 -3.47 116.42 110.74 3i1t h ASP 228 Ca 0.51 -0.26 -0.45 0.00 0.02 0.00 0.00 57.03 56.86 3i1t h ASP 228 Cb 0.97 0.06 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 3i1t h ASP 228 CO -0.89 0.30 -0.79 -2.28 -1.72 0.00 0.00 179.24 173.86 3i1t s HIS 229 N -3.23 1.30 0.57 4.55 2.46 -0.79 -5.01 115.29 115.14 3i1t s HIS 229 Ca -0.11 -0.40 0.27 0.00 0.47 0.00 0.00 55.06 55.29 3i1t s HIS 229 Cb 0.00 -0.75 1.53 0.00 -0.13 0.00 0.00 32.58 33.24 3i1t s HIS 229 CO 0.39 0.06 2.03 -1.35 -2.47 0.00 0.00 174.74 173.40 3i1t h PRO 230 N 4.60 0.00 0.18 2.88 0.11 -1.82 -2.87 132.00 135.08 3i1t h PRO 230 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3i1t h PRO 230 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i1t h PRO 230 CO 0.42 0.00 -0.09 0.45 -0.21 0.00 0.00 178.00 178.57 3i1t h HIS 231 N 0.00 -0.23 -5.14 0.65 3.86 -1.89 -3.48 115.15 108.92 3i1t h HIS 231 Ca 0.15 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.23 3i1t h HIS 231 Cb 0.75 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.30 3i1t h HIS 231 CO 0.00 -0.14 -0.31 0.41 0.86 0.00 0.00 177.93 178.75 3i1t n GLY 232 N 1.13 -0.30 3.35 2.45 0.00 -1.08 -4.81 105.19 105.93 3i1t n GLY 232 Ca -0.03 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3i1t n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 233 N -0.70 -2.45 0.00 -0.02 0.00 -1.21 -3.75 105.19 97.06 3i1t n GLY 233 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i1t n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 234 N 1.83 0.89 3.58 -0.02 0.00 -1.26 -4.75 105.19 105.45 3i1t n GLY 234 Ca 0.05 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3i1t n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1t s GLU 235 N 2.07 3.63 0.00 1.61 8.01 -1.26 -4.51 118.70 128.24 3i1t s GLU 235 Ca 0.00 0.27 0.00 0.00 0.01 0.00 0.00 54.97 55.25 3i1t s GLU 235 Cb 0.00 -3.88 0.00 0.00 -4.31 0.00 0.00 34.13 25.94 3i1t s GLU 235 CO 0.00 -1.10 0.00 0.41 0.01 0.00 0.00 175.26 174.58 3i1t n GLY 236 N 4.75 -0.03 5.27 -1.39 0.00 -1.26 -4.70 105.19 107.83 3i1t n GLY 236 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3i1t n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t n ARG 237 N -0.37 0.00 -0.95 1.61 1.74 -1.26 -4.86 116.66 112.57 3i1t n ARG 237 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3i1t n ARG 237 Cb 0.08 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 3i1t n ARG 237 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1t n ASN 238 N 2.36 -7.51 0.00 0.55 4.13 -1.26 -4.37 115.26 109.16 3i1t n ASN 238 Ca 0.00 1.02 0.00 0.00 1.68 0.00 0.00 54.58 57.28 3i1t n ASN 238 Cb 0.00 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 3i1t n ASN 238 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3i1t n PHE 239 N -3.42 0.00 0.00 3.10 -0.00 -1.26 -4.88 117.46 111.00 3i1t n PHE 239 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3i1t n PHE 239 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.91 3i1t n PHE 239 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i1t n GLY 240 N 0.00 1.23 3.65 7.13 0.00 -1.26 -4.78 105.19 111.16 3i1t n GLY 240 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i1t n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 241 N -0.48 2.44 -0.18 1.61 1.02 -1.26 -5.09 119.74 117.80 3i1t s LYS 241 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 3i1t s LYS 241 Cb 0.00 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3i1t s LYS 241 CO 0.00 0.54 1.61 -1.01 -0.92 0.00 0.00 175.35 175.57 3i1t s HIS 242 N -1.26 2.10 0.04 3.18 3.76 -1.26 -4.93 115.29 116.92 3i1t s HIS 242 Ca 0.24 0.49 -0.34 0.00 -0.15 0.00 0.00 55.06 55.30 3i1t s HIS 242 Cb -0.11 -3.94 -0.13 0.00 1.11 0.00 0.00 32.58 29.51 3i1t s HIS 242 CO 0.16 -3.10 1.72 -2.30 -0.85 0.00 0.00 174.74 170.38 3i1t n PRO 243 N 7.50 2.14 -4.09 8.40 -0.02 -1.26 -4.99 135.00 142.68 3i1t n PRO 243 Ca 0.18 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 62.29 3i1t n PRO 243 Cb 0.45 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3i1t n PRO 243 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i1t s VAL 244 N 2.46 0.00 0.61 -1.45 -7.23 -1.26 -3.32 120.40 110.20 3i1t s VAL 244 Ca 0.86 -1.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.35 3i1t s VAL 244 Cb -0.69 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 3i1t s VAL 244 CO 0.45 0.00 0.97 0.42 -0.31 0.00 0.00 175.10 176.63 3i1t s THR 245 N -2.99 4.22 -1.49 5.32 -4.23 -0.41 -4.78 115.64 111.27 3i1t s THR 245 Ca 0.30 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3i1t s THR 245 Cb -0.01 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.15 3i1t s THR 245 CO 0.21 -0.82 0.31 -2.65 -0.54 0.00 0.00 174.62 171.13 3i1t n PRO 246 N -2.68 0.00 -0.05 3.99 -0.02 -1.26 0.11 135.00 135.09 3i1t n PRO 246 Ca 0.05 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.57 3i1t n PRO 246 Cb 0.56 -1.41 0.05 0.00 -0.02 0.00 0.00 33.50 32.68 3i1t n PRO 246 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3i1t n TRP 247 N -0.79 0.00 -2.32 6.00 8.01 -1.26 -4.63 117.44 122.45 3i1t n TRP 247 Ca 0.00 -0.63 -0.05 0.00 -1.31 0.00 0.00 57.50 55.51 3i1t n TRP 247 Cb 0.00 -0.08 0.02 0.00 -2.01 0.00 0.00 31.31 29.24 3i1t n TRP 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i1t n GLY 248 N -0.80 -0.32 2.85 6.99 0.00 0.31 -5.08 105.19 109.14 3i1t n GLY 248 Ca 0.06 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3i1t n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1t s VAL 249 N -3.13 0.57 -0.56 1.61 1.01 -1.24 -4.85 120.40 113.82 3i1t s VAL 249 Ca 0.15 -0.07 -0.34 0.00 0.00 0.00 0.00 61.98 61.72 3i1t s VAL 249 Cb -0.02 -0.65 -0.14 0.00 0.00 0.00 0.00 36.38 35.57 3i1t s VAL 249 CO 0.36 0.27 2.35 0.00 0.00 0.00 0.00 175.10 178.08 3i1t n GLN 250 N 4.61 0.64 0.00 2.72 1.13 -1.26 -1.29 117.38 123.93 3i1t n GLN 250 Ca -0.16 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3i1t n GLN 250 Cb 0.50 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 28.60 3i1t n GLN 250 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i1t n THR 251 N 7.31 0.00 -2.22 5.09 -1.04 -1.21 -3.81 114.28 118.40 3i1t n THR 251 Ca 0.49 0.92 -0.42 0.00 -2.04 0.00 0.00 64.05 62.99 3i1t n THR 251 Cb 0.19 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 66.81 3i1t n THR 251 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i1t s LYS 252 N -1.80 3.39 0.00 -2.82 1.02 -1.26 -3.96 119.74 114.31 3i1t s LYS 252 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.00 3i1t s LYS 252 Cb 0.00 -4.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 3i1t s LYS 252 CO 0.00 -1.80 0.00 0.41 -0.92 0.00 0.00 175.35 173.04 3i1t n GLY 253 N 5.26 2.16 3.62 -3.33 0.00 -1.26 -5.10 105.19 106.55 3i1t n GLY 253 Ca 0.18 -0.60 -0.48 0.00 0.00 0.00 0.00 46.02 45.12 3i1t n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 254 N 0.00 1.59 -0.00 1.61 4.76 -1.25 -4.92 118.16 119.95 3i1t n LYS 254 Ca 0.00 0.57 -0.17 0.00 -2.87 0.00 0.00 58.31 55.84 3i1t n LYS 254 Cb 0.00 -2.22 -0.13 0.00 -1.84 0.00 0.00 35.03 30.84 3i1t n LYS 254 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3i1t h LYS 255 N 4.65 0.22 -0.13 1.97 6.56 -1.92 -3.48 116.57 124.43 3i1t h LYS 255 Ca -0.46 -0.31 -0.06 0.00 -1.06 0.00 0.00 60.65 58.77 3i1t h LYS 255 Cb 1.30 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 33.05 3i1t h LYS 255 CO 0.79 1.10 -0.05 0.25 -2.06 0.00 0.00 179.45 179.48 3i1t n THR 256 N -4.33 0.00 -2.97 -0.16 -2.24 -1.26 -4.96 114.28 98.35 3i1t n THR 256 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3i1t n THR 256 Cb 0.65 -1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 3i1t n THR 256 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i1t s ARG 257 N -1.99 4.16 -0.40 -0.78 3.52 -1.26 -4.96 118.95 117.23 3i1t s ARG 257 Ca 0.00 0.79 0.08 0.00 -0.13 0.00 0.00 55.73 56.47 3i1t s ARG 257 Cb 0.00 -3.65 0.25 0.00 -1.56 0.00 0.00 34.95 29.99 3i1t s ARG 257 CO 0.00 -0.47 0.56 0.43 -0.81 0.00 0.00 175.30 175.01 3i1t n SER 258 N 5.88 -0.23 -0.05 -2.12 7.64 -1.26 -4.94 113.62 118.54 3i1t n SER 258 Ca 0.03 -2.76 -0.06 0.00 1.01 0.00 0.00 58.87 57.09 3i1t n SER 258 Cb 0.48 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 3i1t n SER 258 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3i1t n ASN 259 N 1.46 1.65 0.00 6.43 2.85 -1.26 -4.94 115.26 121.46 3i1t n ASN 259 Ca 0.20 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 3i1t n ASN 259 Cb 0.54 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.93 3i1t n ASN 259 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3i1t n LYS 260 N -4.14 0.00 -0.00 1.20 4.81 -1.26 -4.41 118.16 114.36 3i1t n LYS 260 Ca -0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.20 3i1t n LYS 260 Cb 0.37 -2.31 -0.02 0.00 0.02 0.00 0.00 35.03 33.09 3i1t n LYS 260 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3i1t h ARG 261 N 0.10 0.65 -0.02 1.64 2.43 -2.04 -3.29 114.38 113.85 3i1t h ARG 261 Ca 0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i1t h ARG 261 Cb 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3i1t h ARG 261 CO 0.00 1.13 -0.17 0.25 -1.51 0.00 0.00 179.97 179.66 3i1t n THR 262 N -3.91 0.00 -0.32 0.20 -2.24 -1.26 -4.39 114.28 102.36 3i1t n THR 262 Ca -0.06 -0.41 0.16 0.00 -2.27 0.00 0.00 64.05 61.46 3i1t n THR 262 Cb 0.71 1.41 0.40 0.00 -2.10 0.00 0.00 70.33 70.75 3i1t n THR 262 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i1t h ASP 263 N 3.88 0.64 -0.98 3.42 3.45 -1.90 0.99 116.42 125.92 3i1t h ASP 263 Ca 0.00 0.08 0.29 0.00 0.43 0.00 0.00 57.03 57.82 3i1t h ASP 263 Cb 0.91 -0.04 -0.18 0.00 -0.56 0.00 0.00 39.33 39.46 3i1t h ASP 263 CO 0.00 0.24 0.11 0.50 -1.57 0.00 0.00 179.24 178.52 3i1t h LYS 264 N 0.63 0.02 -0.01 3.56 1.63 -1.80 -1.36 116.57 119.23 3i1t h LYS 264 Ca 0.54 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 3i1t h LYS 264 Cb 1.02 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3i1t h LYS 264 CO -0.30 0.01 0.00 1.19 -3.45 0.00 0.00 179.45 176.90 3i1t n PHE 265 N -5.44 0.01 -3.52 1.91 0.99 0.34 -4.80 117.46 106.96 3i1t n PHE 265 Ca 0.25 -0.01 -0.40 0.00 -0.00 0.00 0.00 57.45 57.29 3i1t n PHE 265 Cb 0.83 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 39.20 3i1t n PHE 265 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i1t s ILE 266 N -1.99 5.27 -0.22 4.37 1.01 -0.52 -0.18 121.20 128.95 3i1t s ILE 266 Ca 0.39 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 3i1t s ILE 266 Cb 0.18 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.74 3i1t s ILE 266 CO 0.30 -0.03 -0.00 0.52 0.00 0.00 0.00 174.94 175.73 3i1t n VAL 267 N 5.12 1.58 -3.80 2.92 0.31 -0.65 -4.96 118.33 118.85 3i1t n VAL 267 Ca -0.12 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 3i1t n VAL 267 Cb 0.50 -1.83 -0.15 0.00 -0.91 0.00 0.00 33.84 31.45 3i1t n VAL 267 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i1t s ARG 268 N -2.47 0.03 0.00 5.55 3.52 -0.91 -5.00 118.95 119.67 3i1t s ARG 268 Ca -0.32 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3i1t s ARG 268 Cb 0.09 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3i1t s ARG 268 CO 0.60 -0.11 0.00 0.54 -0.81 0.00 0.00 175.30 175.52 3i1t n ARG 269 N 3.75 0.00 -3.64 5.12 5.12 -1.26 -2.31 116.66 123.44 3i1t n ARG 269 Ca -0.21 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.66 3i1t n ARG 269 Cb 0.54 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.77 3i1t n ARG 269 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i1t s ARG 270 N 0.00 0.20 0.00 5.56 3.52 -1.26 -3.01 118.95 123.96 3i1t s ARG 270 Ca 0.00 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3i1t s ARG 270 Cb 0.00 0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 3i1t s ARG 270 CO 0.00 -0.03 0.57 0.43 -0.81 0.00 0.00 175.30 175.47