#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n ARG 2 N 0.00 -0.91 -3.90 -1.46 5.12 -1.26 -4.93 116.66 109.32 2i2t n ARG 2 Ca 0.00 0.08 -0.28 0.00 -1.93 0.00 0.00 57.85 55.72 2i2t n ARG 2 Cb 0.00 -3.32 -0.17 0.00 -1.16 0.00 0.00 32.46 27.81 2i2t n ARG 2 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2i2t s VAL 3 N -4.28 1.09 0.55 1.55 -7.23 -1.25 -3.85 120.40 106.99 2i2t s VAL 3 Ca 0.02 -0.50 0.28 0.00 -1.81 0.00 0.00 61.98 59.98 2i2t s VAL 3 Cb -0.01 -1.20 0.41 0.00 0.56 0.00 0.00 36.38 36.14 2i2t s VAL 3 CO 0.94 0.23 1.95 0.00 -0.31 0.00 0.00 175.10 177.92 2i2t n GLN 5 N -4.11 0.00 -0.10 0.00 7.27 -1.26 -3.75 117.38 115.43 2i2t n GLN 5 Ca 0.11 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.07 2i2t n GLN 5 Cb 0.68 -0.89 -0.16 0.00 2.41 0.00 0.00 30.24 32.28 2i2t n GLN 5 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2i2t n VAL 6 N 0.00 1.40 -0.20 1.69 3.14 -1.26 -4.47 118.33 118.64 2i2t n VAL 6 Ca 0.00 -0.83 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 2i2t n VAL 6 Cb 0.00 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 2i2t n VAL 6 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2i2t n THR 7 N -2.80 0.87 -4.05 1.55 -2.24 -1.26 -5.02 114.28 101.33 2i2t n THR 7 Ca -0.34 -0.88 -0.33 0.00 -2.27 0.00 0.00 64.05 60.22 2i2t n THR 7 Cb 1.14 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.91 2i2t n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i2t n GLY 8 N -0.45 -0.46 3.63 3.38 0.00 -1.26 -4.92 105.19 105.10 2i2t n GLY 8 Ca 0.01 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2i2t n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 9 N -6.75 4.07 0.12 1.61 1.02 -1.26 -4.79 119.74 113.76 2i2t s LYS 9 Ca 0.69 0.70 0.01 0.00 0.02 0.00 0.00 55.97 57.39 2i2t s LYS 9 Cb -0.37 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.27 2i2t s LYS 9 CO 0.85 -0.57 0.11 0.54 -0.92 0.00 0.00 175.35 175.35 2i2t n ARG 10 N 6.04 1.21 -3.11 1.68 1.74 -1.25 -2.19 116.66 120.78 2i2t n ARG 10 Ca 0.03 -0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 55.99 2i2t n ARG 10 Cb 0.48 0.04 -0.07 0.00 -1.02 0.00 0.00 32.46 31.90 2i2t n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2i2t s PRO 11 N -2.49 3.31 1.13 5.56 0.04 -1.26 -4.15 135.00 137.14 2i2t s PRO 11 Ca 0.08 -0.34 -0.19 0.00 0.04 0.00 0.00 61.00 60.60 2i2t s PRO 11 Cb -0.01 -3.94 0.27 0.00 0.04 0.00 0.00 34.50 30.86 2i2t s PRO 11 CO 0.05 -0.99 1.22 0.14 0.04 0.00 0.00 177.00 177.46 2i2t s VAL 12 N 2.82 1.74 0.10 -0.36 -7.23 -0.78 -4.80 120.40 111.88 2i2t s VAL 12 Ca 0.23 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.48 2i2t s VAL 12 Cb -0.14 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2i2t s VAL 12 CO 0.19 0.00 -0.20 0.42 -0.31 0.00 0.00 175.10 175.20 2i2t s THR 13 N -3.43 1.63 0.19 5.32 -4.23 -1.26 -1.19 115.64 112.67 2i2t s THR 13 Ca 0.74 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 59.52 2i2t s THR 13 Cb -0.06 -1.49 0.08 0.00 1.34 0.00 0.00 72.50 72.37 2i2t s THR 13 CO 0.55 -0.08 1.04 -0.83 -0.54 0.00 0.00 174.62 174.76 2i2t s GLY 14 N -1.87 0.13 0.19 3.99 0.00 -1.26 -4.78 107.32 103.71 2i2t s GLY 14 Ca 0.05 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.45 2i2t s GLY 14 CO 0.04 2.55 0.31 -1.31 0.00 0.00 0.00 173.10 174.69 2i2t s ASN 15 N -3.43 6.30 0.03 1.64 0.01 -1.26 0.03 114.94 118.27 2i2t s ASN 15 Ca 0.22 0.12 -0.01 0.00 -0.71 0.00 0.00 52.86 52.48 2i2t s ASN 15 Cb -0.03 -1.87 -0.27 0.00 0.41 0.00 0.00 41.25 39.49 2i2t s ASN 15 CO 0.05 0.00 0.97 -1.13 -1.51 0.00 0.00 177.10 175.48 2i2t h ASN 16 N 1.77 0.32 -6.22 -1.22 -0.73 -0.23 -3.45 115.58 105.81 2i2t h ASN 16 Ca -0.50 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 57.26 2i2t h ASN 16 Cb 1.21 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.69 2i2t h ASN 16 CO 0.65 1.34 -0.49 0.54 -0.37 0.00 0.00 177.43 179.10 2i2t n ARG 17 N -3.43 -0.92 -3.36 6.67 3.00 -1.20 -4.96 116.66 112.45 2i2t n ARG 17 Ca -0.12 1.09 -0.21 0.00 -0.01 0.00 0.00 57.85 58.59 2i2t n ARG 17 Cb 1.03 -1.03 0.02 0.00 0.00 0.00 0.00 32.46 32.48 2i2t n ARG 17 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2i2t s SER 18 N -0.48 5.02 0.80 0.55 1.04 -1.25 -4.83 113.70 114.55 2i2t s SER 18 Ca -0.01 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 2i2t s SER 18 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2i2t s SER 18 CO 0.03 -1.10 0.27 1.41 0.98 0.00 0.00 173.24 174.82 2i2t n HIS 19 N -1.95 -1.73 -0.40 5.02 8.25 -1.26 0.45 115.22 123.59 2i2t n HIS 19 Ca 0.08 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2i2t n HIS 19 Cb 0.62 -1.80 0.00 0.00 1.12 0.00 0.00 29.99 29.93 2i2t n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i2t n ALA 20 N -2.66 0.00 -3.06 -1.41 0.00 -1.26 -4.07 120.51 108.05 2i2t n ALA 20 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2i2t n ALA 20 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.78 2i2t n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i2t n LEU 21 N 0.00 -6.75 -4.23 0.00 4.77 0.17 -4.98 117.00 105.98 2i2t n LEU 21 Ca 0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2i2t n LEU 21 Cb 0.00 -3.24 -0.08 0.00 -2.33 0.00 0.00 43.42 37.77 2i2t n LEU 21 CO 0.00 -1.27 0.03 0.20 -1.33 0.00 0.00 177.39 175.02 2i2t s ASN 22 N -2.91 5.82 0.25 -1.43 0.01 -1.15 -4.86 114.94 110.67 2i2t s ASN 22 Ca 0.05 -1.94 -0.31 0.00 -0.71 0.00 0.00 52.86 49.95 2i2t s ASN 22 Cb -0.01 -2.05 -0.12 0.00 0.41 0.00 0.00 41.25 39.47 2i2t s ASN 22 CO 0.76 -0.72 1.68 0.00 -1.51 0.00 0.00 177.10 177.31 2i2t n ALA 23 N 4.91 2.77 -3.32 0.60 0.00 -1.26 -3.26 120.51 120.95 2i2t n ALA 23 Ca -0.08 0.39 0.01 0.00 0.00 0.00 0.00 53.44 53.76 2i2t n ALA 23 Cb 0.41 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 2i2t n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2i2t s THR 24 N 0.68 -0.95 0.31 0.00 -4.23 -1.26 -4.89 115.64 105.30 2i2t s THR 24 Ca 0.70 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.95 2i2t s THR 24 Cb -0.50 -0.97 -0.14 0.00 1.34 0.00 0.00 72.50 72.24 2i2t s THR 24 CO 0.39 -0.01 0.81 0.29 -0.54 0.00 0.00 174.62 175.56 2i2t n LYS 25 N 5.43 0.90 0.00 3.99 4.76 -1.26 0.48 118.16 132.46 2i2t n LYS 25 Ca -0.04 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2i2t n LYS 25 Cb 0.50 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2i2t n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2i2t n ARG 26 N 0.72 0.00 -1.77 1.97 -4.01 0.11 -4.74 116.66 108.94 2i2t n ARG 26 Ca 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 2i2t n ARG 26 Cb 0.32 -0.33 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2i2t n ARG 26 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2i2t n ARG 27 N -0.70 -5.00 -3.79 2.89 1.85 -1.23 -4.87 116.66 105.81 2i2t n ARG 27 Ca 0.00 3.71 -0.37 0.00 -1.00 0.00 0.00 57.85 60.20 2i2t n ARG 27 Cb 0.00 -4.18 -0.12 0.00 -1.05 0.00 0.00 32.46 27.11 2i2t n ARG 27 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2i2t s PHE 28 N -3.35 3.39 0.37 2.89 0.40 -0.33 -4.85 117.98 116.50 2i2t s PHE 28 Ca 0.00 -1.95 -0.15 0.00 -0.60 0.00 0.00 56.93 54.23 2i2t s PHE 28 Cb 0.00 -2.65 -0.09 0.00 0.51 0.00 0.00 43.02 40.79 2i2t s PHE 28 CO 0.00 -0.86 0.80 -0.48 0.70 0.00 0.00 175.22 175.38 2i2t s LEU 29 N 1.26 3.97 0.00 -0.37 2.34 -1.26 -1.86 118.68 122.76 2i2t s LEU 29 Ca 0.01 1.34 -0.16 0.00 0.06 0.00 0.00 54.13 55.39 2i2t s LEU 29 Cb -0.21 -4.18 0.25 0.00 -0.56 0.00 0.00 46.19 41.49 2i2t s LEU 29 CO -0.01 -0.30 0.56 -2.65 -1.06 0.00 0.00 176.35 172.89 2i2t n PRO 30 N -0.68 -2.92 -0.02 1.48 -0.02 -1.26 -4.98 135.00 126.61 2i2t n PRO 30 Ca 0.04 -0.94 -0.01 0.00 -2.02 0.00 0.00 63.50 60.57 2i2t n PRO 30 Cb 0.53 -1.43 -0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2i2t n PRO 30 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2i2t h ASN 31 N -3.04 0.00 -3.62 2.55 -0.73 -1.94 -3.51 115.58 105.29 2i2t h ASN 31 Ca -0.25 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2i2t h ASN 31 Cb 0.86 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.45 2i2t h ASN 31 CO 0.15 0.21 -0.84 0.18 -0.37 0.00 0.00 177.43 176.76 2i2t n LEU 32 N -3.00 -1.66 0.00 0.34 4.32 -1.26 -4.96 117.00 110.79 2i2t n LEU 32 Ca -0.01 2.60 0.00 0.00 -0.02 0.00 0.00 56.01 58.58 2i2t n LEU 32 Cb 0.04 -3.02 0.00 0.00 -1.62 0.00 0.00 43.42 38.82 2i2t n LEU 32 CO 0.01 -0.27 0.00 1.41 -1.22 0.00 0.00 177.39 177.32 2i2t n HIS 33 N -1.90 0.00 -2.09 -1.77 8.25 -0.29 -4.90 115.22 112.53 2i2t n HIS 33 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2i2t n HIS 33 Cb 0.25 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 2i2t n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2i2t n SER 34 N -0.18 -4.81 -4.30 0.41 2.88 -1.20 -4.94 113.62 101.48 2i2t n SER 34 Ca 0.00 1.19 -0.32 0.00 -1.33 0.00 0.00 58.87 58.41 2i2t n SER 34 Cb 0.00 -4.03 -0.16 0.00 -0.75 0.00 0.00 64.21 59.27 2i2t n SER 34 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2i2t s HIS 35 N -0.45 2.51 -1.00 0.66 5.04 0.27 -4.89 115.29 117.42 2i2t s HIS 35 Ca -0.08 -0.67 -0.23 0.00 -1.54 0.00 0.00 55.06 52.54 2i2t s HIS 35 Cb 0.01 -1.63 0.04 0.00 0.04 0.00 0.00 32.58 31.03 2i2t s HIS 35 CO 0.22 -0.18 1.52 1.03 -2.34 0.00 0.00 174.74 174.99 2i2t s ARG 36 N -0.15 3.45 0.40 2.88 1.81 -1.26 -1.90 118.95 124.18 2i2t s ARG 36 Ca -0.03 -1.01 -0.10 0.00 -1.72 0.00 0.00 55.73 52.87 2i2t s ARG 36 Cb -0.14 -5.32 -0.06 0.00 -0.45 0.00 0.00 34.95 28.98 2i2t s ARG 36 CO 0.04 -2.36 0.76 -0.06 -0.68 0.00 0.00 175.30 172.99 2i2t s PHE 37 N 5.66 3.48 -0.48 -0.53 0.08 -1.25 -4.88 117.98 120.05 2i2t s PHE 37 Ca 0.49 1.00 -0.04 0.00 0.12 0.00 0.00 56.93 58.50 2i2t s PHE 37 Cb -0.01 -2.41 0.13 0.00 -0.57 0.00 0.00 43.02 40.15 2i2t s PHE 37 CO -0.09 -0.10 0.30 -0.46 -0.10 0.00 0.00 175.22 174.77 2i2t s TRP 38 N -2.38 3.52 0.34 0.36 -0.11 -1.26 -1.01 118.94 118.40 2i2t s TRP 38 Ca 0.50 -2.35 0.07 0.00 1.22 0.00 0.00 56.10 55.54 2i2t s TRP 38 Cb -0.10 -3.30 0.75 0.00 -1.50 0.00 0.00 33.47 29.32 2i2t s TRP 38 CO 0.32 -0.95 1.88 -0.39 -4.62 0.00 0.00 176.95 173.18 2i2t h VAL 39 N 6.05 0.88 0.00 5.86 -1.51 -1.87 -3.45 116.25 122.21 2i2t h VAL 39 Ca -0.12 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2i2t h VAL 39 Cb 1.03 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2i2t h VAL 39 CO 0.74 0.14 0.00 1.21 -1.23 0.00 0.00 177.57 178.43 2i2t n GLU 40 N -4.56 0.00 0.00 5.19 0.00 -1.26 -4.15 120.64 115.86 2i2t n GLU 40 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2i2t n GLU 40 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2i2t n GLU 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2i2t n SER 41 N 1.06 0.01 0.00 4.31 3.41 -1.26 -1.25 113.62 119.90 2i2t n SER 41 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2i2t n SER 41 Cb 0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i2t n SER 41 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2i2t n GLU 42 N -0.49 0.00 -3.75 4.33 2.13 -1.26 -5.06 120.64 116.55 2i2t n GLU 42 Ca 0.00 -0.15 -0.23 0.00 0.66 0.00 0.00 57.16 57.44 2i2t n GLU 42 Cb 0.00 -0.43 0.00 0.00 0.27 0.00 0.00 31.44 31.29 2i2t n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2i2t n LYS 43 N 0.00 -1.48 -3.83 5.31 4.01 -0.38 -4.95 118.16 116.84 2i2t n LYS 43 Ca 0.00 0.79 0.01 0.00 -0.51 0.00 0.00 58.31 58.60 2i2t n LYS 43 Cb 0.34 -2.57 0.01 0.00 -0.51 0.00 0.00 35.03 32.29 2i2t n LYS 43 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2i2t s ARG 44 N -4.89 0.51 -0.08 1.97 3.52 -1.26 -4.97 118.95 113.74 2i2t s ARG 44 Ca 0.02 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2i2t s ARG 44 Cb -0.01 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 2i2t s ARG 44 CO 0.89 -0.24 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.98 2i2t s PHE 45 N -2.22 2.85 -0.59 5.12 2.99 -1.26 -2.49 117.98 122.38 2i2t s PHE 45 Ca 0.22 -0.18 0.06 0.00 0.00 0.00 0.00 56.93 57.03 2i2t s PHE 45 Cb 0.01 -1.74 0.23 0.00 0.00 0.00 0.00 43.02 41.53 2i2t s PHE 45 CO -0.01 0.15 0.64 1.33 -0.00 0.00 0.00 175.22 177.33 2i2t n VAL 46 N 2.62 1.42 -1.55 -0.44 0.24 -0.18 -4.95 118.33 115.49 2i2t n VAL 46 Ca -0.18 -4.81 -0.45 0.00 -2.04 0.00 0.00 64.34 56.86 2i2t n VAL 46 Cb 0.53 -2.06 -0.04 0.00 -1.47 0.00 0.00 33.84 30.79 2i2t n VAL 46 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2i2t n THR 47 N 1.26 0.26 -4.52 3.34 5.66 -1.26 -3.95 114.28 115.07 2i2t n THR 47 Ca 0.26 -0.42 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 2i2t n THR 47 Cb 0.43 -2.27 -0.12 0.00 -1.55 0.00 0.00 70.33 66.82 2i2t n THR 47 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2i2t s LEU 48 N 8.33 2.80 -1.25 1.09 1.43 -0.80 -4.88 118.68 125.40 2i2t s LEU 48 Ca 1.04 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.69 2i2t s LEU 48 Cb -0.50 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.02 2i2t s LEU 48 CO 0.39 0.24 2.51 -1.14 0.23 0.00 0.00 176.35 178.58 2i2t n ARG 49 N 1.36 2.84 -1.89 1.70 3.00 -1.26 -0.57 116.66 121.83 2i2t n ARG 49 Ca -0.16 -1.80 -0.29 0.00 -0.00 0.00 0.00 57.85 55.60 2i2t n ARG 49 Cb 0.52 -2.61 0.21 0.00 0.00 0.00 0.00 32.46 30.58 2i2t n ARG 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2i2t n VAL 50 N 3.91 0.00 -3.91 5.15 0.31 -1.25 -4.09 118.33 118.46 2i2t n VAL 50 Ca 0.60 -0.98 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 2i2t n VAL 50 Cb 0.18 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.55 2i2t n VAL 50 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2i2t s SER 51 N -5.85 -0.15 0.91 4.52 1.04 -1.26 -1.14 113.70 111.77 2i2t s SER 51 Ca 0.75 -0.76 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 2i2t s SER 51 Cb -0.02 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2i2t s SER 51 CO 0.53 -1.13 0.13 0.00 0.98 0.00 0.00 173.24 173.74 2i2t n ALA 52 N -0.37 -3.12 0.00 5.32 0.00 -1.26 -1.31 120.51 119.77 2i2t n ALA 52 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2i2t n ALA 52 Cb 0.62 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2i2t n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i2t n LYS 53 N -0.46 0.00 -0.23 0.00 0.00 -1.26 -4.24 118.16 111.97 2i2t n LYS 53 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.40 2i2t n LYS 53 Cb 0.53 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.85 2i2t n LYS 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2i2t h GLY 54 N 0.00 1.10 1.10 3.14 0.00 -1.62 0.14 103.07 106.93 2i2t h GLY 54 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2i2t h GLY 54 CO 0.00 0.29 -0.49 -0.33 0.00 0.00 0.00 176.54 176.01 2i2t h MET 55 N 0.91 0.83 -0.33 4.80 2.86 -1.41 -1.68 114.93 120.92 2i2t h MET 55 Ca 0.33 -0.52 0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2i2t h MET 55 Cb 0.14 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2i2t h MET 55 CO -0.10 1.15 0.31 0.00 1.06 0.00 0.00 176.91 179.32 2i2t h ARG 56 N 0.61 0.00 0.03 1.72 3.08 -1.14 0.17 114.38 118.84 2i2t h ARG 56 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2i2t h ARG 56 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2i2t h ARG 56 CO 0.11 0.00 -0.29 0.28 -1.07 0.00 0.00 179.97 179.01 2i2t h VAL 57 N 0.00 1.61 -0.94 2.04 2.07 -0.26 -2.04 116.25 118.73 2i2t h VAL 57 Ca 0.16 -2.18 0.15 0.00 0.82 0.00 0.00 66.70 65.65 2i2t h VAL 57 Cb 0.77 3.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.50 2i2t h VAL 57 CO -0.00 0.59 0.60 0.40 0.02 0.00 0.00 177.57 179.18 2i2t h ILE 58 N -0.63 0.81 0.02 4.57 1.08 0.11 0.68 117.51 124.15 2i2t h ILE 58 Ca -0.04 -0.26 -0.23 0.00 -0.39 0.00 0.00 64.86 63.94 2i2t h ILE 58 Cb 1.13 -0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2i2t h ILE 58 CO 0.05 0.14 -0.97 0.44 -0.69 0.00 0.00 178.15 177.13 2i2t h ASP 59 N 0.75 0.46 1.48 1.72 3.32 -0.89 0.35 116.42 123.60 2i2t h ASP 59 Ca 0.49 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2i2t h ASP 59 Cb 0.76 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2i2t h ASP 59 CO -0.25 1.19 -0.53 0.50 -1.72 0.00 0.00 179.24 178.43 2i2t h LYS 60 N 0.18 0.00 0.00 3.56 3.64 -0.42 -3.38 116.57 120.15 2i2t h LYS 60 Ca -0.08 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.12 2i2t h LYS 60 Cb 1.61 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 2i2t h LYS 60 CO 0.16 0.08 -1.68 1.63 -2.27 0.00 0.00 179.45 177.37 2i2t n LYS 61 N -2.95 1.05 0.00 1.90 5.02 0.23 -5.06 118.16 118.34 2i2t n LYS 61 Ca 0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2i2t n LYS 61 Cb 0.59 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2i2t n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i2t n GLY 62 N 2.74 2.42 0.37 0.72 0.00 0.12 -4.66 105.19 106.91 2i2t n GLY 62 Ca -0.20 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 2i2t n GLY 62 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2i2t h ILE 63 N 0.00 0.00 0.00 -0.61 5.03 -1.93 -0.83 117.51 119.17 2i2t h ILE 63 Ca 0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 64.86 64.47 2i2t h ILE 63 Cb 0.00 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.77 2i2t h ILE 63 CO 0.00 0.00 1.21 0.47 -0.68 0.00 0.00 178.15 179.15 2i2t n ASP 64 N -4.79 4.64 0.00 1.72 8.00 -1.26 0.13 116.55 124.98 2i2t n ASP 64 Ca -0.06 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.17 2i2t n ASP 64 Cb 0.32 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 2i2t n ASP 64 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2i2t n THR 65 N 3.24 0.00 0.10 -3.53 -1.04 -0.79 -4.71 114.28 107.55 2i2t n THR 65 Ca 0.40 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.18 2i2t n THR 65 Cb 0.43 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.79 2i2t n THR 65 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2i2t h VAL 66 N 0.00 1.35 0.00 12.58 2.07 0.51 -2.81 116.25 129.96 2i2t h VAL 66 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2i2t h VAL 66 Cb 0.00 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2i2t h VAL 66 CO 0.00 0.76 0.00 -0.07 0.02 0.00 0.00 177.57 178.28 2i2t h LEU 67 N 0.02 0.00 0.25 2.57 3.38 -0.55 0.03 115.31 121.01 2i2t h LEU 67 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2i2t h LEU 67 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2i2t h LEU 67 CO 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.64 2i2t h ALA 68 N 2.10 -0.34 -3.00 1.53 0.00 -1.70 -3.23 119.26 114.63 2i2t h ALA 68 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2i2t h ALA 68 Cb 0.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2i2t h ALA 68 CO 0.00 -0.60 0.00 0.39 0.00 0.00 0.00 179.25 179.04 2i2t n GLU 69 N -5.16 -0.41 0.00 0.00 1.02 -0.00 -2.36 120.64 113.73 2i2t n GLU 69 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2i2t n GLU 69 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 2i2t n GLU 69 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2i2t n LEU 70 N 0.00 0.00 -0.04 -4.62 -0.00 -1.24 -3.97 117.00 107.14 2i2t n LEU 70 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2i2t n LEU 70 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2i2t n LEU 70 CO 0.00 0.00 0.48 -0.09 -0.00 0.00 0.00 177.39 177.78 2i2t h ARG 71 N 0.00 -0.02 0.00 1.96 2.43 -1.61 0.68 114.38 117.82 2i2t h ARG 71 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2i2t h ARG 71 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2i2t h ARG 71 CO 0.00 0.70 -0.11 0.00 -1.51 0.00 0.00 179.97 179.05 2i2t h ALA 72 N 0.14 1.18 0.00 2.80 0.00 -1.59 -0.27 119.26 121.52 2i2t h ALA 72 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2i2t h ALA 72 Cb 0.73 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2i2t h ALA 72 CO 0.00 0.13 -0.98 -0.09 0.00 0.00 0.00 179.25 178.32 2i2t h ARG 73 N 0.00 0.00 -1.50 0.00 2.43 -1.79 -3.49 114.38 110.03 2i2t h ARG 73 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2i2t h ARG 73 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2i2t h ARG 73 CO 0.01 0.86 0.00 0.41 -1.51 0.00 0.00 179.97 179.74 2i2t n GLY 74 N 1.35 0.91 3.14 2.80 0.00 0.19 -4.95 105.19 108.62 2i2t n GLY 74 Ca -0.01 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 2i2t n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i2t s GLU 75 N -2.50 0.74 0.00 1.61 2.12 0.13 -4.99 118.70 115.81 2i2t s GLU 75 Ca 0.00 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2i2t s GLU 75 Cb 0.00 -0.62 0.00 0.00 0.26 0.00 0.00 34.13 33.77 2i2t s GLU 75 CO 0.00 0.13 0.00 0.36 -0.54 0.00 0.00 175.26 175.21 2i2t n LYS 76 N 1.20 0.00 -0.64 4.30 2.85 -1.26 -4.62 118.16 119.99 2i2t n LYS 76 Ca -0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2i2t n LYS 76 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 2i2t n LYS 76 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33