#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ARG 2 N 0.00 -2.22 -2.08 -1.46 5.12 -1.26 -4.69 116.66 110.06 3i1t n ARG 2 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.65 3i1t n ARG 2 Cb 0.00 -2.88 -0.05 0.00 -1.16 0.00 0.00 32.46 28.37 3i1t n ARG 2 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3i1t s VAL 3 N -1.32 3.50 0.13 1.55 -7.23 -1.26 -4.53 120.40 111.23 3i1t s VAL 3 Ca 0.02 -0.50 0.13 0.00 -1.81 0.00 0.00 61.98 59.82 3i1t s VAL 3 Cb -0.01 -4.17 0.13 0.00 0.56 0.00 0.00 36.38 32.89 3i1t s VAL 3 CO 0.03 -1.02 1.30 0.00 -0.31 0.00 0.00 175.10 175.10 3i1t n GLN 5 N -2.11 0.00 0.02 0.00 -0.06 -1.24 -3.87 117.38 110.11 3i1t n GLN 5 Ca -0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 3i1t n GLN 5 Cb 0.38 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.47 3i1t n GLN 5 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3i1t h VAL 6 N 0.00 1.20 -0.03 1.69 3.04 -1.86 -3.36 116.25 116.93 3i1t h VAL 6 Ca 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 3i1t h VAL 6 Cb 0.00 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3i1t h VAL 6 CO 0.00 0.27 0.00 0.35 -1.01 0.00 0.00 177.57 177.18 3i1t n THR 7 N -4.89 0.08 -2.05 3.17 -2.24 -1.25 -5.00 114.28 102.09 3i1t n THR 7 Ca -0.08 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 3i1t n THR 7 Cb 0.27 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 3i1t n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 8 N 0.49 0.51 3.74 3.38 0.00 -1.26 -4.94 105.19 107.11 3i1t n GLY 8 Ca 0.06 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1t n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 9 N -4.47 4.38 0.29 1.61 1.02 -1.26 -4.71 119.74 116.60 3i1t s LYS 9 Ca 0.00 2.08 0.08 0.00 0.02 0.00 0.00 55.97 58.15 3i1t s LYS 9 Cb 0.00 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 34.07 3i1t s LYS 9 CO 0.00 -0.26 -0.08 1.03 -0.92 0.00 0.00 175.35 175.12 3i1t s ARG 10 N -0.25 1.61 0.10 1.68 0.52 -1.26 -3.50 118.95 117.86 3i1t s ARG 10 Ca 0.56 -1.81 -0.31 0.00 -0.52 0.00 0.00 55.73 53.65 3i1t s ARG 10 Cb -0.37 -1.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.69 3i1t s ARG 10 CO 0.39 0.09 1.80 -1.25 0.02 0.00 0.00 175.30 176.35 3i1t s PRO 11 N -3.68 4.15 -0.03 3.54 0.04 -1.26 -4.58 135.00 133.17 3i1t s PRO 11 Ca 0.30 2.53 0.07 0.00 0.04 0.00 0.00 61.00 63.94 3i1t s PRO 11 Cb 0.03 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 3i1t s PRO 11 CO 0.13 -0.83 -0.24 0.14 0.04 0.00 0.00 177.00 176.24 3i1t s VAL 12 N 2.86 1.91 -0.00 -0.36 -7.23 -0.81 -5.01 120.40 111.75 3i1t s VAL 12 Ca 0.80 -1.02 -0.23 0.00 -1.81 0.00 0.00 61.98 59.73 3i1t s VAL 12 Cb -0.44 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3i1t s VAL 12 CO 0.36 0.54 0.68 0.42 -0.31 0.00 0.00 175.10 176.78 3i1t s THR 13 N -0.39 4.88 0.00 5.32 -4.23 -1.26 -0.93 115.64 119.03 3i1t s THR 13 Ca 0.04 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 3i1t s THR 13 Cb -0.11 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.71 3i1t s THR 13 CO 0.01 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 3i1t n GLY 14 N 2.58 4.83 3.29 3.99 0.00 -1.26 -4.83 105.19 113.79 3i1t n GLY 14 Ca -0.04 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 3i1t n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1t s ASN 15 N 1.18 2.68 -0.06 1.61 0.01 -1.26 0.78 114.94 119.87 3i1t s ASN 15 Ca 0.00 -0.62 -0.12 0.00 -0.71 0.00 0.00 52.86 51.41 3i1t s ASN 15 Cb 0.00 -0.19 -0.08 0.00 0.41 0.00 0.00 41.25 41.39 3i1t s ASN 15 CO 0.00 0.14 0.49 0.78 -1.51 0.00 0.00 177.10 177.00 3i1t h ASN 16 N 4.45 -0.27 -5.18 -1.22 2.35 -1.80 -3.41 115.58 110.51 3i1t h ASN 16 Ca -0.45 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3i1t h ASN 16 Cb 1.17 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3i1t h ASN 16 CO 0.42 0.23 -0.70 0.54 -1.65 0.00 0.00 177.43 176.26 3i1t n ARG 17 N -4.98 -2.84 0.00 0.81 5.12 -1.23 -4.96 116.66 108.58 3i1t n ARG 17 Ca -0.05 2.40 0.00 0.00 -1.93 0.00 0.00 57.85 58.26 3i1t n ARG 17 Cb 0.17 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 25.98 3i1t n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1t n SER 18 N 0.13 -0.20 -4.81 0.55 3.41 -1.20 -4.90 113.62 106.61 3i1t n SER 18 Ca 0.07 -0.37 -0.31 0.00 -0.26 0.00 0.00 58.87 58.00 3i1t n SER 18 Cb 0.26 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.27 3i1t n SER 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i1t s HIS 19 N -0.47 2.99 0.00 7.33 0.09 -1.26 -2.77 115.29 121.20 3i1t s HIS 19 Ca 0.00 1.33 0.00 0.00 -0.00 0.00 0.00 55.06 56.39 3i1t s HIS 19 Cb 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 32.58 29.61 3i1t s HIS 19 CO 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 174.74 173.29 3i1t n ALA 20 N -3.26 0.00 -0.90 -1.40 0.00 -1.26 -4.09 120.51 109.60 3i1t n ALA 20 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1t n ALA 20 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1t n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1t n LEU 21 N 0.00 -0.10 -4.63 0.00 4.77 -1.11 -4.99 117.00 110.93 3i1t n LEU 21 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3i1t n LEU 21 Cb 0.00 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3i1t n LEU 21 CO 0.00 0.00 1.49 0.20 -1.33 0.00 0.00 177.39 177.75 3i1t s ASN 22 N -2.80 6.22 -0.19 -1.43 0.01 -1.26 -4.68 114.94 110.82 3i1t s ASN 22 Ca 0.00 1.83 -0.19 0.00 -0.71 0.00 0.00 52.86 53.79 3i1t s ASN 22 Cb 0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 3i1t s ASN 22 CO 0.00 -1.35 0.54 0.00 -1.51 0.00 0.00 177.10 174.77 3i1t s ALA 23 N 5.64 3.53 -0.18 0.60 0.00 -1.26 -3.21 121.76 126.89 3i1t s ALA 23 Ca 0.79 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 3i1t s ALA 23 Cb -0.29 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.07 3i1t s ALA 23 CO 0.32 -0.39 0.09 0.95 0.00 0.00 0.00 175.76 176.72 3i1t s THR 24 N 1.53 -0.04 -0.18 0.00 -4.23 -1.26 -4.91 115.64 106.54 3i1t s THR 24 Ca 0.25 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 3i1t s THR 24 Cb -0.15 -0.62 -0.07 0.00 1.34 0.00 0.00 72.50 72.99 3i1t s THR 24 CO 0.10 -0.29 0.63 0.29 -0.54 0.00 0.00 174.62 174.81 3i1t n LYS 25 N 5.26 0.00 -0.11 3.99 4.76 -1.26 -2.66 118.16 128.14 3i1t n LYS 25 Ca -0.07 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.23 3i1t n LYS 25 Cb 0.49 -0.55 -0.13 0.00 -1.84 0.00 0.00 35.03 33.00 3i1t n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i1t n ARG 26 N 1.75 0.73 -1.88 1.97 1.85 0.23 -4.74 116.66 116.57 3i1t n ARG 26 Ca 0.13 0.08 -0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3i1t n ARG 26 Cb -0.02 -1.48 -0.00 0.00 -1.05 0.00 0.00 32.46 29.90 3i1t n ARG 26 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1t n ARG 27 N -3.01 -3.21 -2.66 2.89 0.63 -1.16 -4.85 116.66 105.29 3i1t n ARG 27 Ca -0.38 2.52 -0.24 0.00 -0.92 0.00 0.00 57.85 58.83 3i1t n ARG 27 Cb 1.02 -3.18 0.03 0.00 0.45 0.00 0.00 32.46 30.77 3i1t n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3i1t s PHE 28 N -0.38 3.18 0.20 -0.14 0.40 -0.10 -4.85 117.98 116.29 3i1t s PHE 28 Ca -0.02 0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 56.46 3i1t s PHE 28 Cb 0.00 -2.59 0.05 0.00 0.51 0.00 0.00 43.02 40.99 3i1t s PHE 28 CO 0.05 -0.67 0.87 -0.48 0.70 0.00 0.00 175.22 175.70 3i1t s LEU 29 N -4.80 -0.20 0.37 -0.37 0.05 -1.26 -1.93 118.68 110.54 3i1t s LEU 29 Ca 0.52 -0.50 0.01 0.00 0.05 0.00 0.00 54.13 54.22 3i1t s LEU 29 Cb -0.10 2.38 -0.02 0.00 -2.05 0.00 0.00 46.19 46.39 3i1t s LEU 29 CO 0.41 -1.08 0.57 -2.16 -0.55 0.00 0.00 176.35 173.55 3i1t s PRO 30 N -3.50 3.35 -0.50 1.48 0.04 -1.26 -5.02 135.00 129.60 3i1t s PRO 30 Ca 0.12 -0.42 -0.19 0.00 0.04 0.00 0.00 61.00 60.56 3i1t s PRO 30 Cb -0.03 -2.65 0.06 0.00 0.04 0.00 0.00 34.50 31.92 3i1t s PRO 30 CO 0.04 0.04 0.59 0.54 0.04 0.00 0.00 177.00 178.25 3i1t s ASN 31 N -4.09 6.22 -0.16 6.66 6.03 -1.26 -5.02 114.94 123.32 3i1t s ASN 31 Ca 0.42 -0.91 -0.01 0.00 -1.03 0.00 0.00 52.86 51.33 3i1t s ASN 31 Cb -0.10 -2.28 -0.01 0.00 -3.03 0.00 0.00 41.25 35.84 3i1t s ASN 31 CO 0.36 -0.85 -0.12 -0.76 -2.03 0.00 0.00 177.10 173.71 3i1t s LEU 32 N 2.52 2.70 -0.12 3.54 2.01 -1.26 -4.13 118.68 123.94 3i1t s LEU 32 Ca 0.14 -0.38 0.05 0.00 0.01 0.00 0.00 54.13 53.96 3i1t s LEU 32 Cb -0.19 -1.63 0.15 0.00 0.01 0.00 0.00 46.19 44.52 3i1t s LEU 32 CO 0.12 0.10 1.19 0.00 1.01 0.00 0.00 176.35 178.77 3i1t n HIS 33 N 3.95 -0.68 -1.47 0.29 1.44 -1.25 -4.99 115.22 112.50 3i1t n HIS 33 Ca -0.18 -0.92 0.18 0.00 -2.01 0.00 0.00 57.72 54.79 3i1t n HIS 33 Cb 0.52 0.84 -0.09 0.00 0.12 0.00 0.00 29.99 31.38 3i1t n HIS 33 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3i1t n SER 34 N -0.52 -8.15 0.00 4.39 7.64 -1.26 -4.98 113.62 110.73 3i1t n SER 34 Ca -0.24 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3i1t n SER 34 Cb 0.77 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 3i1t n SER 34 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3i1t n HIS 35 N -4.38 0.00 -2.81 1.43 -0.00 -1.25 -4.78 115.22 103.43 3i1t n HIS 35 Ca -0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.22 3i1t n HIS 35 Cb 0.70 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.65 3i1t n HIS 35 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3i1t s ARG 36 N 0.00 4.56 0.03 1.57 0.52 -1.26 -1.67 118.95 122.70 3i1t s ARG 36 Ca 0.00 1.28 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 3i1t s ARG 36 Cb 0.00 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3i1t s ARG 36 CO 0.00 0.08 -0.12 -0.06 0.02 0.00 0.00 175.30 175.22 3i1t s PHE 37 N 0.58 2.73 -0.08 -0.53 0.08 -0.52 -4.88 117.98 115.36 3i1t s PHE 37 Ca 0.46 -0.14 -0.13 0.00 0.12 0.00 0.00 56.93 57.24 3i1t s PHE 37 Cb -0.21 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 3i1t s PHE 37 CO 0.26 0.33 0.31 -0.46 -0.10 0.00 0.00 175.22 175.55 3i1t s TRP 38 N -0.99 3.61 -0.03 0.36 -0.00 -1.26 -0.22 118.94 120.40 3i1t s TRP 38 Ca 0.17 0.75 0.03 0.00 -0.00 0.00 0.00 56.10 57.05 3i1t s TRP 38 Cb -0.11 -2.23 -0.05 0.00 -0.00 0.00 0.00 33.47 31.09 3i1t s TRP 38 CO 0.07 0.53 0.03 1.33 -0.00 0.00 0.00 176.95 178.91 3i1t n VAL 39 N 2.46 0.19 0.00 5.86 0.24 -1.19 -5.00 118.33 120.89 3i1t n VAL 39 Ca -0.15 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3i1t n VAL 39 Cb 0.53 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 3i1t n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1t n GLU 40 N -2.02 0.00 0.00 7.34 -0.58 -1.26 -4.53 120.64 119.58 3i1t n GLU 40 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3i1t n GLU 40 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 3i1t n GLU 40 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3i1t n SER 41 N 1.92 0.00 0.19 1.62 7.64 -1.26 -0.56 113.62 123.17 3i1t n SER 41 Ca 0.00 0.42 0.14 0.00 1.01 0.00 0.00 58.87 60.44 3i1t n SER 41 Cb 0.00 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 63.88 3i1t n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3i1t h GLU 42 N 0.00 0.00 -3.36 1.43 4.81 -2.01 -3.45 114.58 111.99 3i1t h GLU 42 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 3i1t h GLU 42 Cb 0.00 0.00 0.07 0.00 0.63 0.00 0.00 28.75 29.45 3i1t h GLU 42 CO 0.00 0.00 -0.33 1.17 -0.73 0.00 0.00 179.01 179.12 3i1t n LYS 43 N -2.45 -3.76 -3.90 1.92 3.00 0.27 -5.03 118.16 108.21 3i1t n LYS 43 Ca -0.01 0.40 -0.09 0.00 -0.00 0.00 0.00 58.31 58.61 3i1t n LYS 43 Cb 0.11 -4.12 -0.05 0.00 0.00 0.00 0.00 35.03 30.97 3i1t n LYS 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3i1t s ARG 44 N -5.53 1.44 0.02 1.64 1.70 -1.26 -4.92 118.95 112.05 3i1t s ARG 44 Ca 0.25 -1.09 -0.25 0.00 -0.47 0.00 0.00 55.73 54.17 3i1t s ARG 44 Cb -0.11 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 3i1t s ARG 44 CO 0.35 -0.60 0.76 -0.06 -1.08 0.00 0.00 175.30 174.67 3i1t s PHE 45 N -3.95 3.70 -0.23 5.89 0.40 -1.26 -3.17 117.98 119.37 3i1t s PHE 45 Ca 0.16 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 3i1t s PHE 45 Cb -0.00 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.76 3i1t s PHE 45 CO 0.03 0.23 -0.03 0.14 0.70 0.00 0.00 175.22 176.29 3i1t s VAL 46 N 0.15 1.36 -0.05 -0.44 -7.23 0.69 -4.87 120.40 110.01 3i1t s VAL 46 Ca 0.39 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.17 3i1t s VAL 46 Cb -0.20 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3i1t s VAL 46 CO 0.22 -0.14 0.78 0.28 -0.31 0.00 0.00 175.10 175.94 3i1t s THR 47 N 1.47 4.99 -0.07 5.32 -1.32 -1.26 -1.44 115.64 123.33 3i1t s THR 47 Ca -0.04 1.62 -0.02 0.00 -1.21 0.00 0.00 61.69 62.03 3i1t s THR 47 Cb -0.19 -4.12 0.03 0.00 -1.51 0.00 0.00 72.50 66.72 3i1t s THR 47 CO -0.07 0.23 0.06 -0.76 -2.21 0.00 0.00 174.62 171.86 3i1t s LEU 48 N 0.85 0.25 -0.52 9.08 1.43 -0.67 -4.89 118.68 124.22 3i1t s LEU 48 Ca 0.42 -0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.18 3i1t s LEU 48 Cb -0.19 -0.21 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 3i1t s LEU 48 CO 0.21 -0.26 2.43 0.54 0.23 0.00 0.00 176.35 179.50 3i1t n ARG 49 N 5.27 1.01 -2.66 1.70 1.74 -1.26 -3.75 116.66 118.71 3i1t n ARG 49 Ca -0.04 0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3i1t n ARG 49 Cb 0.50 -3.20 -0.02 0.00 -1.02 0.00 0.00 32.46 28.72 3i1t n ARG 49 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i1t n VAL 50 N 7.91 0.00 -4.44 1.55 0.24 -1.26 -3.69 118.33 118.64 3i1t n VAL 50 Ca 0.40 -0.62 -0.22 0.00 -2.04 0.00 0.00 64.34 61.86 3i1t n VAL 50 Cb 0.48 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 3i1t n VAL 50 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i1t s SER 51 N -1.69 2.92 0.59 -1.34 1.04 -1.26 -3.96 113.70 110.00 3i1t s SER 51 Ca 0.03 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.11 3i1t s SER 51 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3i1t s SER 51 CO 0.02 -0.28 1.23 0.00 0.98 0.00 0.00 173.24 175.19 3i1t s ALA 52 N -2.92 2.58 0.00 5.32 0.00 -1.26 0.12 121.76 125.60 3i1t s ALA 52 Ca 0.29 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3i1t s ALA 52 Cb 0.02 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3i1t s ALA 52 CO 0.12 -1.21 0.00 1.17 0.00 0.00 0.00 175.76 175.84 3i1t n LYS 53 N -1.49 0.00 0.05 0.00 0.00 -1.26 -4.37 118.16 111.09 3i1t n LYS 53 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.51 3i1t n LYS 53 Cb 0.49 -0.14 0.31 0.00 0.00 0.00 0.00 35.03 35.69 3i1t n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1t n GLY 54 N 0.00 -0.92 0.10 3.14 0.00 0.38 0.14 105.19 108.03 3i1t n GLY 54 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3i1t n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i1t n MET 55 N -1.78 0.42 0.20 1.61 2.81 0.32 -4.18 117.12 116.52 3i1t n MET 55 Ca 0.02 0.10 0.18 0.00 -1.81 0.00 0.00 57.70 56.19 3i1t n MET 55 Cb 0.12 -1.33 0.83 0.00 -0.71 0.00 0.00 33.22 32.13 3i1t n MET 55 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i1t h ARG 56 N -0.03 0.00 0.22 0.03 2.43 -1.49 0.66 114.38 116.19 3i1t h ARG 56 Ca -0.38 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.49 3i1t h ARG 56 Cb 1.57 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.15 3i1t h ARG 56 CO -0.07 0.00 -1.33 -0.24 -1.51 0.00 0.00 179.97 176.82 3i1t h VAL 57 N 0.00 1.30 0.00 0.20 3.04 0.95 -3.21 116.25 118.53 3i1t h VAL 57 Ca 0.10 -2.63 -0.01 0.00 -1.01 0.00 0.00 66.70 63.15 3i1t h VAL 57 Cb 0.60 3.05 -0.00 0.00 -2.01 0.00 0.00 31.29 32.93 3i1t h VAL 57 CO -0.00 0.79 -0.05 0.40 -1.01 0.00 0.00 177.57 177.70 3i1t h ILE 58 N -0.01 0.16 0.00 3.17 2.04 -0.50 -1.05 117.51 121.32 3i1t h ILE 58 Ca -0.24 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3i1t h ILE 58 Cb 2.02 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.53 3i1t h ILE 58 CO 0.23 0.05 -0.06 0.44 0.00 0.00 0.00 178.15 178.80 3i1t h ASP 59 N 0.00 0.00 0.00 1.72 3.32 0.08 -3.21 116.42 118.33 3i1t h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i1t h ASP 59 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3i1t h ASP 59 CO 0.01 0.06 0.00 1.17 -1.72 0.00 0.00 179.24 178.76 3i1t n LYS 60 N -3.15 0.00 -0.32 3.56 4.81 -0.48 -4.66 118.16 117.92 3i1t n LYS 60 Ca 0.02 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.73 3i1t n LYS 60 Cb 0.42 0.00 0.45 0.00 0.02 0.00 0.00 35.03 35.92 3i1t n LYS 60 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1t n LYS 61 N -0.39 -0.02 0.00 1.64 5.02 -0.74 -4.77 118.16 118.90 3i1t n LYS 61 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3i1t n LYS 61 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3i1t n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1t n GLY 62 N -1.36 3.00 0.07 0.72 0.00 -1.21 -4.55 105.19 101.85 3i1t n GLY 62 Ca 0.27 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 3i1t n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1t n ILE 63 N 0.97 -0.11 -0.11 -0.61 -6.64 -1.23 -0.20 119.36 111.43 3i1t n ILE 63 Ca 0.00 1.21 -0.05 0.00 -1.77 0.00 0.00 62.75 62.14 3i1t n ILE 63 Cb 0.00 -1.58 0.14 0.00 -1.44 0.00 0.00 39.64 36.76 3i1t n ILE 63 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3i1t h ASP 64 N 0.00 0.78 -0.87 7.28 3.32 -1.93 -1.94 116.42 123.06 3i1t h ASP 64 Ca 0.03 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 56.93 3i1t h ASP 64 Cb 0.06 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 3i1t h ASP 64 CO -0.15 0.87 0.56 0.74 -1.72 0.00 0.00 179.24 179.55 3i1t h THR 65 N 0.74 1.06 0.00 0.35 2.02 -1.33 0.51 112.91 116.26 3i1t h THR 65 Ca 0.14 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 3i1t h THR 65 Cb 0.51 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3i1t h THR 65 CO 0.03 0.18 -0.36 0.58 0.37 0.00 0.00 175.52 176.32 3i1t h VAL 66 N 0.97 0.79 -0.36 3.16 2.07 0.00 -1.66 116.25 121.23 3i1t h VAL 66 Ca 0.37 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3i1t h VAL 66 Cb 0.21 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3i1t h VAL 66 CO -0.14 0.35 0.00 0.18 0.02 0.00 0.00 177.57 177.98 3i1t n LEU 67 N -3.45 2.02 0.06 2.57 4.77 0.14 -3.72 117.00 119.40 3i1t n LEU 67 Ca 0.00 -1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 3i1t n LEU 67 Cb 0.52 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3i1t n LEU 67 CO 0.36 0.48 0.30 0.00 -1.33 0.00 0.00 177.39 177.20 3i1t h ALA 68 N 3.62 -0.24 -3.00 -1.18 0.00 0.66 -3.40 119.26 115.72 3i1t h ALA 68 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i1t h ALA 68 Cb 0.53 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3i1t h ALA 68 CO 0.02 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.38 3i1t n GLU 69 N -4.92 0.58 0.00 0.00 4.71 -1.24 -2.60 120.64 117.17 3i1t n GLU 69 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 3i1t n GLU 69 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.66 3i1t n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i1t n LEU 70 N 0.00 0.00 0.22 -4.62 4.77 -1.26 -2.76 117.00 113.36 3i1t n LEU 70 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3i1t n LEU 70 Cb 0.00 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.59 3i1t n LEU 70 CO 0.00 0.00 0.82 -0.09 -1.33 0.00 0.00 177.39 176.79 3i1t h ARG 71 N 0.00 0.00 0.00 3.23 2.43 -1.78 1.21 114.38 119.47 3i1t h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1t h ARG 71 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i1t h ARG 71 CO 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 179.97 178.69 3i1t n ALA 72 N -2.25 2.24 -0.75 2.80 0.00 -1.07 -1.72 120.51 119.75 3i1t n ALA 72 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i1t n ALA 72 Cb 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3i1t n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1t n ARG 73 N -0.91 -0.22 -2.22 0.00 3.00 -0.22 -5.03 116.66 111.06 3i1t n ARG 73 Ca 0.13 -0.14 -0.06 0.00 -0.01 0.00 0.00 57.85 57.77 3i1t n ARG 73 Cb 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 32.46 31.92 3i1t n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1t n GLY 74 N -0.00 -0.04 2.85 -0.13 0.00 0.36 -5.00 105.19 103.23 3i1t n GLY 74 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3i1t n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1t n GLU 75 N -2.12 3.72 0.00 1.61 1.02 0.18 -4.92 120.64 120.13 3i1t n GLU 75 Ca -0.03 -4.82 0.00 0.00 -0.02 0.00 0.00 57.16 52.30 3i1t n GLU 75 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 3i1t n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1t n LYS 76 N -0.15 0.00 -0.46 3.49 2.85 -1.26 -4.75 118.16 117.88 3i1t n LYS 76 Ca 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 3i1t n LYS 76 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 3i1t n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83