#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n LYS 2 N 0.00 0.71 0.01 0.00 2.85 -1.26 -4.88 118.16 115.59 2i2t n LYS 2 Ca 0.00 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.43 2i2t n LYS 2 Cb 0.00 -1.59 0.06 0.00 -0.65 0.00 0.00 35.03 32.86 2i2t n LYS 2 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2i2t h THR 3 N 0.99 1.33 -2.94 0.58 1.35 -1.77 -3.39 112.91 109.06 2i2t h THR 3 Ca -0.40 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2i2t h THR 3 Cb 1.39 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 2i2t h THR 3 CO 0.53 0.56 -0.56 -0.38 -0.25 0.00 0.00 175.52 175.42 2i2t n ILE 4 N -3.95 -8.56 -3.94 6.82 2.08 -1.26 -2.27 119.36 108.29 2i2t n ILE 4 Ca -0.03 2.01 -0.35 0.00 0.56 0.00 0.00 62.75 64.93 2i2t n ILE 4 Cb 0.61 -4.00 -0.12 0.00 -0.75 0.00 0.00 39.64 35.38 2i2t n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2i2t s LYS 5 N -1.70 3.75 0.17 0.38 1.02 0.13 -2.91 119.74 120.58 2i2t s LYS 5 Ca 0.00 -0.45 0.08 0.00 0.02 0.00 0.00 55.97 55.62 2i2t s LYS 5 Cb 0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2i2t s LYS 5 CO 0.00 0.02 -0.06 0.42 -0.92 0.00 0.00 175.35 174.80 2i2t s ILE 6 N 1.05 3.39 0.07 2.17 -1.09 -0.09 -0.30 121.20 126.40 2i2t s ILE 6 Ca 0.04 -1.54 0.01 0.00 -2.23 0.00 0.00 60.65 56.92 2i2t s ILE 6 Cb -0.14 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2i2t s ILE 6 CO 0.03 -0.09 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.71 2i2t s THR 7 N -1.67 0.46 0.14 2.92 2.01 -1.19 0.19 115.64 118.51 2i2t s THR 7 Ca 0.25 -1.68 -0.04 0.00 0.31 0.00 0.00 61.69 60.53 2i2t s THR 7 Cb -0.09 -1.35 -0.15 0.00 0.01 0.00 0.00 72.50 70.92 2i2t s THR 7 CO 0.16 -0.82 1.35 -0.61 -0.69 0.00 0.00 174.62 174.02 2i2t h GLN 8 N 3.39 0.43 0.00 4.92 4.15 -1.74 -3.12 115.11 123.14 2i2t h GLN 8 Ca -0.35 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.66 2i2t h GLN 8 Cb 1.17 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2i2t h GLN 8 CO 0.60 1.07 0.00 2.41 -1.93 0.00 0.00 178.83 180.97 2i2t n THR 9 N -3.79 0.00 -3.87 2.39 -1.04 -0.96 -3.84 114.28 103.17 2i2t n THR 9 Ca -0.06 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.71 2i2t n THR 9 Cb 0.78 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.25 2i2t n THR 9 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2i2t s ARG 10 N 0.00 2.34 0.63 -2.82 0.52 -1.26 -4.87 118.95 113.49 2i2t s ARG 10 Ca 0.00 -1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 53.30 2i2t s ARG 10 Cb 0.00 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 2i2t s ARG 10 CO 0.00 -0.29 1.03 0.45 0.02 0.00 0.00 175.30 176.51 2i2t s SER 11 N -4.09 6.05 -0.55 0.23 0.15 -1.26 -4.73 113.70 109.49 2i2t s SER 11 Ca 0.41 1.49 0.06 0.00 0.70 0.00 0.00 55.95 58.61 2i2t s SER 11 Cb -0.00 -2.48 0.34 0.00 -1.71 0.00 0.00 66.02 62.16 2i2t s SER 11 CO 0.24 -0.99 0.91 0.00 1.20 0.00 0.00 173.24 174.60 2i2t n ALA 12 N -2.71 4.29 -0.08 5.45 0.00 -1.26 -4.86 120.51 121.34 2i2t n ALA 12 Ca 0.06 -4.53 -0.07 0.00 0.00 0.00 0.00 53.44 48.91 2i2t n ALA 12 Cb 0.54 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2i2t n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2i2t n ILE 13 N -0.11 1.33 1.56 0.00 5.41 -1.26 -4.61 119.36 121.68 2i2t n ILE 13 Ca 0.30 0.20 0.14 0.00 1.00 0.00 0.00 62.75 64.39 2i2t n ILE 13 Cb 0.43 -2.28 0.58 0.00 -0.71 0.00 0.00 39.64 37.65 2i2t n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i2t n GLY 14 N 1.52 -0.13 3.69 7.39 0.00 -1.26 -4.95 105.19 111.46 2i2t n GLY 14 Ca -0.10 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2i2t n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t n ARG 15 N 0.02 0.98 -0.94 1.61 3.00 -1.26 -4.94 116.66 115.12 2i2t n ARG 15 Ca 0.20 0.39 -0.34 0.00 -0.01 0.00 0.00 57.85 58.09 2i2t n ARG 15 Cb 0.32 -2.43 0.11 0.00 0.00 0.00 0.00 32.46 30.47 2i2t n ARG 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2i2t n LEU 16 N -1.70 0.91 -0.36 0.55 7.99 -1.26 -4.78 117.00 118.35 2i2t n LEU 16 Ca 0.15 0.43 -0.02 0.00 -0.01 0.00 0.00 56.01 56.57 2i2t n LEU 16 Cb 0.48 -1.27 0.11 0.00 -0.11 0.00 0.00 43.42 42.63 2i2t n LEU 16 CO 0.48 -3.14 1.27 -0.65 -1.51 0.00 0.00 177.39 173.83 2i2t h PRO 17 N -1.22 1.22 -1.92 3.23 0.11 -1.99 -1.62 132.00 129.81 2i2t h PRO 17 Ca -0.44 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2i2t h PRO 17 Cb 1.30 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2i2t h PRO 17 CO 0.38 0.81 0.06 1.17 -0.21 0.00 0.00 178.00 180.21 2i2t n LYS 18 N -4.44 1.11 0.10 1.05 4.81 -1.26 -3.07 118.16 116.46 2i2t n LYS 18 Ca 0.12 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2i2t n LYS 18 Cb 0.04 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2i2t n LYS 18 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2i2t n HIS 19 N 1.33 -1.44 0.05 5.64 8.25 -0.62 -4.39 115.22 124.04 2i2t n HIS 19 Ca 0.04 0.25 0.01 0.00 -0.26 0.00 0.00 57.72 57.76 2i2t n HIS 19 Cb 0.51 0.34 0.03 0.00 1.12 0.00 0.00 29.99 31.99 2i2t n HIS 19 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2i2t n LYS 20 N -3.46 0.00 -0.09 -0.41 5.02 -1.19 0.12 118.16 118.15 2i2t n LYS 20 Ca 0.00 0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 56.55 2i2t n LYS 20 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 2i2t n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i2t h ALA 21 N 2.05 0.15 -0.45 7.82 0.00 -1.81 -2.50 119.26 124.52 2i2t h ALA 21 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2i2t h ALA 21 Cb 0.02 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2i2t h ALA 21 CO 0.00 0.45 0.28 1.79 0.00 0.00 0.00 179.25 181.77 2i2t h THR 22 N -1.00 1.13 -0.47 0.00 1.35 -0.73 -1.17 112.91 112.02 2i2t h THR 22 Ca -0.20 -0.28 0.09 0.00 -0.55 0.00 0.00 66.41 65.48 2i2t h THR 22 Cb 1.06 0.52 -0.08 0.00 -1.73 0.00 0.00 68.15 67.92 2i2t h THR 22 CO -0.12 0.13 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.18 2i2t h LEU 23 N 0.60 -0.25 -0.47 3.87 -0.00 0.78 -1.17 115.31 118.65 2i2t h LEU 23 Ca 0.16 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.24 2i2t h LEU 23 Cb -0.03 0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 40.78 2i2t h LEU 23 CO -0.03 -0.09 0.06 0.25 -0.00 0.00 0.00 178.44 178.63 2i2t h LEU 24 N 0.08 -0.07 -1.98 1.67 5.85 -0.82 0.13 115.31 120.17 2i2t h LEU 24 Ca 0.23 0.09 0.21 0.00 0.84 0.00 0.00 57.88 59.26 2i2t h LEU 24 Cb 0.35 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2i2t h LEU 24 CO -0.41 -0.01 0.56 1.23 -0.34 0.00 0.00 178.44 179.47 2i2t h GLY 25 N 0.18 0.00 0.49 3.75 0.00 -0.07 0.61 103.07 108.03 2i2t h GLY 25 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2i2t h GLY 25 CO -0.34 0.00 -1.13 1.04 0.00 0.00 0.00 176.54 176.11 2i2t n LEU 26 N -4.18 0.59 -2.74 3.11 4.77 -0.02 -5.02 117.00 113.51 2i2t n LEU 26 Ca 0.15 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2i2t n LEU 26 Cb 0.83 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.87 2i2t n LEU 26 CO 0.36 0.05 0.16 0.61 -1.33 0.00 0.00 177.39 177.24 2i2t n GLY 27 N 1.36 -0.85 3.14 -0.72 0.00 0.21 -4.98 105.19 103.35 2i2t n GLY 27 Ca 0.01 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 2i2t n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2t s LEU 28 N -4.09 3.53 0.00 0.99 1.43 -1.21 -4.94 118.68 114.39 2i2t s LEU 28 Ca 0.16 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 2i2t s LEU 28 Cb -0.02 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2i2t s LEU 28 CO 0.56 -0.20 0.00 0.54 0.23 0.00 0.00 176.35 177.48 2i2t n ARG 29 N 4.57 0.00 -0.66 1.70 3.00 -1.26 -4.87 116.66 119.13 2i2t n ARG 29 Ca -0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.39 2i2t n ARG 29 Cb 0.44 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.07 2i2t n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2i2t n ARG 30 N 0.00 -0.82 0.00 5.56 3.00 -1.26 -4.83 116.66 118.31 2i2t n ARG 30 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 57.85 57.65 2i2t n ARG 30 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.26 2i2t n ARG 30 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2i2t n ILE 31 N -4.26 0.00 -2.10 0.55 -5.35 -1.26 -2.00 119.36 104.95 2i2t n ILE 31 Ca 0.09 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.54 2i2t n ILE 31 Cb 0.53 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.16 2i2t n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i2t n GLY 32 N 0.08 0.69 0.44 3.28 0.00 -1.26 -2.27 105.19 106.15 2i2t n GLY 32 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2i2t n GLY 32 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2i2t h HIS 33 N 0.19 -1.46 -3.10 1.61 2.76 -1.73 -3.46 115.15 109.96 2i2t h HIS 33 Ca -0.37 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 2i2t h HIS 33 Cb 1.43 0.66 0.00 0.00 1.55 0.00 0.00 27.41 31.05 2i2t h HIS 33 CO -0.12 -0.52 -0.57 2.41 -1.30 0.00 0.00 177.93 177.83 2i2t n THR 34 N -5.43 -8.90 -4.06 6.26 -1.04 -1.22 -5.01 114.28 94.88 2i2t n THR 34 Ca -0.05 2.02 -0.08 0.00 -2.04 0.00 0.00 64.05 63.90 2i2t n THR 34 Cb 0.37 -4.26 -0.10 0.00 -1.82 0.00 0.00 70.33 64.52 2i2t n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2i2t s VAL 35 N -0.31 0.20 0.49 12.58 0.11 0.13 -4.93 120.40 128.67 2i2t s VAL 35 Ca 0.00 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 2i2t s VAL 35 Cb 0.00 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2i2t s VAL 35 CO 0.00 -0.83 0.72 -0.70 -3.33 0.00 0.00 175.10 170.96 2i2t s GLU 36 N -3.09 2.86 0.00 1.54 2.12 -1.26 -0.92 118.70 119.95 2i2t s GLU 36 Ca -0.01 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.75 2i2t s GLU 36 Cb 0.02 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2i2t s GLU 36 CO -0.07 -0.46 0.00 -2.13 -0.54 0.00 0.00 175.26 172.06 2i2t n ARG 37 N -2.20 0.00 0.00 4.30 3.00 -0.96 -4.93 116.66 115.86 2i2t n ARG 37 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2i2t n ARG 37 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2i2t n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2i2t n GLU 38 N 0.00 1.13 -0.13 -0.14 1.02 -1.21 -4.28 120.64 117.03 2i2t n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2i2t n GLU 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2i2t n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2i2t n ASP 39 N 0.00 0.00 -4.74 1.62 -0.08 -1.26 -4.19 116.55 107.90 2i2t n ASP 39 Ca 0.00 -0.65 -0.42 0.00 -1.51 0.00 0.00 54.79 52.21 2i2t n ASP 39 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2i2t n ASP 39 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2i2t n THR 40 N 0.00 0.75 -0.20 5.18 -1.04 -1.26 -4.75 114.28 112.95 2i2t n THR 40 Ca 0.00 -0.19 0.30 0.00 -2.04 0.00 0.00 64.05 62.12 2i2t n THR 40 Cb 0.33 -1.96 0.58 0.00 -1.82 0.00 0.00 70.33 67.46 2i2t n THR 40 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2i2t h PRO 41 N 5.31 0.00 0.78 -2.82 0.11 -1.99 0.19 132.00 133.57 2i2t h PRO 41 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2i2t h PRO 41 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2i2t h PRO 41 CO 0.84 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 178.25 2i2t h ALA 42 N 0.89 -1.05 0.00 -0.75 0.00 -1.99 0.46 119.26 116.82 2i2t h ALA 42 Ca 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2i2t h ALA 42 Cb 2.52 0.41 0.00 0.00 0.00 0.00 0.00 17.79 20.71 2i2t h ALA 42 CO -0.00 -1.04 0.00 0.44 0.00 0.00 0.00 179.25 178.64 2i2t n ILE 43 N -5.51 0.19 0.50 0.00 -5.35 0.55 -0.86 119.36 108.88 2i2t n ILE 43 Ca -0.14 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.49 2i2t n ILE 43 Cb 0.43 -0.74 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 2i2t n ILE 43 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2i2t n ARG 44 N -1.12 0.33 0.01 6.28 3.00 -0.51 -3.85 116.66 120.79 2i2t n ARG 44 Ca 0.12 -0.07 -0.19 0.00 -0.00 0.00 0.00 57.85 57.71 2i2t n ARG 44 Cb 0.10 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 30.89 2i2t n ARG 44 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2i2t h GLY 45 N 4.49 0.28 0.89 5.14 0.00 0.19 -3.30 103.07 110.76 2i2t h GLY 45 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.63 2i2t h GLY 45 CO 0.00 0.62 -0.01 -0.33 0.00 0.00 0.00 176.54 176.82 2i2t h MET 46 N 0.07 0.01 -1.01 4.80 2.86 -1.61 0.56 114.93 120.60 2i2t h MET 46 Ca -0.38 -0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.51 2i2t h MET 46 Cb 2.04 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.61 2i2t h MET 46 CO 0.10 0.01 0.65 0.82 1.06 0.00 0.00 176.91 179.55 2i2t h ILE 47 N 0.01 0.56 -0.21 -1.22 1.08 -1.72 0.42 117.51 116.43 2i2t h ILE 47 Ca 0.03 -0.14 -0.21 0.00 -0.39 0.00 0.00 64.86 64.15 2i2t h ILE 47 Cb 0.04 0.11 0.01 0.00 -3.07 0.00 0.00 36.82 33.91 2i2t h ILE 47 CO -0.06 0.08 -0.68 -1.13 -0.69 0.00 0.00 178.15 175.67 2i2t h ASN 48 N 0.42 0.97 -0.42 1.72 -0.73 -1.22 0.13 115.58 116.44 2i2t h ASN 48 Ca 0.57 -0.59 0.12 0.00 1.87 0.00 0.00 56.30 58.27 2i2t h ASN 48 Cb 1.41 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.70 2i2t h ASN 48 CO -0.27 1.39 0.33 0.00 -0.37 0.00 0.00 177.43 178.50 2i2t h ALA 49 N 0.61 2.31 -0.82 1.57 0.00 0.19 -2.22 119.26 120.91 2i2t h ALA 49 Ca -0.02 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.49 2i2t h ALA 49 Cb 1.30 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.71 2i2t h ALA 49 CO 0.14 -0.55 -1.03 1.33 0.00 0.00 0.00 179.25 179.14 2i2t n VAL 50 N -4.22 1.57 -0.29 0.00 0.24 -0.80 -4.88 118.33 109.94 2i2t n VAL 50 Ca 0.07 -3.48 0.04 0.00 -2.04 0.00 0.00 64.34 58.92 2i2t n VAL 50 Cb 0.52 0.30 0.24 0.00 -1.47 0.00 0.00 33.84 33.44 2i2t n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2i2t h SER 51 N 2.65 0.90 0.39 -1.34 4.64 -0.09 0.40 113.55 121.09 2i2t h SER 51 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2i2t h SER 51 Cb 1.24 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2i2t h SER 51 CO 0.48 0.59 0.00 2.22 -0.87 0.00 0.00 176.83 179.24 2i2t n PHE 52 N -4.48 0.00 -0.80 4.77 -1.74 -1.26 -1.80 117.46 112.15 2i2t n PHE 52 Ca 0.13 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.10 2i2t n PHE 52 Cb 0.18 -0.44 0.17 0.00 1.52 0.00 0.00 39.48 40.91 2i2t n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 2i2t n MET 53 N -1.44 2.32 -3.82 3.97 2.81 0.13 -4.69 117.12 116.41 2i2t n MET 53 Ca 0.04 -2.48 -0.10 0.00 -1.81 0.00 0.00 57.70 53.35 2i2t n MET 53 Cb 0.14 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.05 2i2t n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2i2t s VAL 54 N -2.39 0.06 -0.10 2.03 -7.23 -0.75 -4.13 120.40 107.89 2i2t s VAL 54 Ca 0.31 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2i2t s VAL 54 Cb 0.25 -1.60 0.04 0.00 0.56 0.00 0.00 36.38 35.63 2i2t s VAL 54 CO 0.06 -0.26 0.08 -0.75 -0.31 0.00 0.00 175.10 173.92 2i2t s LYS 55 N -3.90 -0.01 0.00 4.82 2.20 -1.18 -4.88 119.74 116.79 2i2t s LYS 55 Ca 0.11 0.19 -0.23 0.00 -0.36 0.00 0.00 55.97 55.68 2i2t s LYS 55 Cb 0.02 -1.07 -0.05 0.00 -1.51 0.00 0.00 37.83 35.22 2i2t s LYS 55 CO -0.04 -0.48 0.70 0.08 -0.36 0.00 0.00 175.35 175.26 2i2t s VAL 56 N 2.16 4.86 -0.30 4.02 1.01 -1.26 -3.18 120.40 127.71 2i2t s VAL 56 Ca 0.04 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.52 2i2t s VAL 56 Cb -0.14 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.27 2i2t s VAL 56 CO -0.06 0.35 -0.02 -1.61 0.00 0.00 0.00 175.10 173.77 2i2t s GLU 57 N 0.13 2.06 0.00 2.72 2.02 0.59 -4.96 118.70 121.26 2i2t s GLU 57 Ca 0.36 -1.51 0.27 0.00 0.02 0.00 0.00 54.97 54.11 2i2t s GLU 57 Cb -0.19 -3.10 1.59 0.00 0.10 0.00 0.00 34.13 32.53 2i2t s GLU 57 CO 0.20 -0.72 1.94 0.39 0.02 0.00 0.00 175.26 177.09