#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7t s ARG 5 N 0.00 3.62 0.06 -1.46 3.52 -1.26 -4.34 118.95 119.09 3i7t s ARG 5 Ca 0.00 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 3i7t s ARG 5 Cb 0.00 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 3i7t s ARG 5 CO 0.00 0.38 -0.19 0.95 -0.81 0.00 0.00 175.30 175.63 3i7t s THR 6 N 0.02 1.57 0.04 4.11 -4.23 -0.58 -5.00 115.64 111.56 3i7t s THR 6 Ca 0.03 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3i7t s THR 6 Cb -0.13 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 3i7t s THR 6 CO 0.02 0.09 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.06 3i7t s MET 7 N -1.37 0.61 -0.11 3.99 -1.94 -1.26 -0.97 119.30 118.25 3i7t s MET 7 Ca 0.06 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3i7t s MET 7 Cb -0.09 -0.49 -0.01 0.00 2.01 0.00 0.00 34.83 36.25 3i7t s MET 7 CO 0.02 0.11 -0.17 0.08 -0.01 0.00 0.00 175.02 175.05 3i7t s VAL 8 N -1.02 2.67 0.13 -6.03 1.01 0.22 -4.99 120.40 112.39 3i7t s VAL 8 Ca -0.05 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.23 3i7t s VAL 8 Cb -0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3i7t s VAL 8 CO 0.01 0.54 -0.25 -0.55 0.00 0.00 0.00 175.10 174.84 3i7t s SER 9 N 0.29 3.15 0.00 3.32 0.15 -1.26 -0.14 113.70 119.20 3i7t s SER 9 Ca -0.13 -0.74 0.19 0.00 0.70 0.00 0.00 55.95 55.97 3i7t s SER 9 Cb -0.16 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 3i7t s SER 9 CO 0.07 0.15 0.96 -1.54 1.20 0.00 0.00 173.24 174.07 3i7t n SER 10 N 0.92 1.77 0.00 5.45 3.41 -1.26 -4.95 113.62 118.96 3i7t n SER 10 Ca -0.18 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 3i7t n SER 10 Cb 0.53 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 3i7t n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7t n GLY 11 N 1.29 0.72 3.77 5.00 0.00 -1.26 -5.03 105.19 109.68 3i7t n GLY 11 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3i7t n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i7t s SER 12 N -2.42 5.11 0.28 1.61 1.04 -1.26 -4.94 113.70 113.12 3i7t s SER 12 Ca 0.00 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.36 3i7t s SER 12 Cb 0.00 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 63.97 3i7t s SER 12 CO 0.00 -1.63 1.82 -0.08 0.98 0.00 0.00 173.24 174.33 3i7t h GLU 13 N -0.10 0.83 -0.87 4.02 4.57 -1.99 -2.93 114.58 118.12 3i7t h GLU 13 Ca -0.46 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 57.56 3i7t h GLU 13 Cb 1.24 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.66 3i7t h GLU 13 CO 0.54 0.75 0.57 0.35 -1.18 0.00 0.00 179.01 180.05 3i7t h PHE 14 N 0.80 1.08 -0.33 0.92 3.04 -1.98 0.86 116.94 121.32 3i7t h PHE 14 Ca 0.18 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 3i7t h PHE 14 Cb 0.30 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 3i7t h PHE 14 CO 0.02 0.67 -0.01 0.93 -2.02 0.00 0.00 178.31 177.89 3i7t h GLU 15 N 1.15 0.52 0.60 1.11 5.08 -1.83 -1.09 114.58 120.13 3i7t h GLU 15 Ca 0.33 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3i7t h GLU 15 Cb -0.10 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.08 3i7t h GLU 15 CO -0.08 0.56 -0.29 1.03 -1.00 0.00 0.00 179.01 179.23 3i7t h SER 16 N 0.50 -0.68 -0.19 1.42 0.87 -0.76 0.13 113.55 114.84 3i7t h SER 16 Ca 0.11 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3i7t h SER 16 Cb 0.34 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3i7t h SER 16 CO 0.01 -0.44 -0.09 0.00 -0.53 0.00 0.00 176.83 175.78 3i7t h ALA 17 N -0.51 1.24 0.00 6.23 0.00 0.88 -3.29 119.26 123.80 3i7t h ALA 17 Ca -0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3i7t h ALA 17 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i7t h ALA 17 CO 0.14 0.50 -2.04 0.28 0.00 0.00 0.00 179.25 178.13 3i7t n VAL 18 N -4.22 0.19 -2.11 0.00 0.31 -0.43 -5.05 118.33 107.03 3i7t n VAL 18 Ca 0.01 -0.54 -0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3i7t n VAL 18 Cb 0.31 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3i7t n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7t n GLY 19 N 1.35 -0.60 3.33 2.92 0.00 0.45 -5.07 105.19 107.58 3i7t n GLY 19 Ca -0.08 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3i7t n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i7t s TYR 20 N -3.01 0.07 0.17 1.61 -0.85 -1.15 -5.08 117.35 109.12 3i7t s TYR 20 Ca 0.02 -0.43 0.06 0.00 -0.52 0.00 0.00 57.07 56.20 3i7t s TYR 20 Cb -0.00 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3i7t s TYR 20 CO 0.29 -0.71 0.05 -1.12 -1.52 0.00 0.00 175.55 172.54 3i7t s SER 21 N -2.88 5.06 0.12 -0.18 0.01 -1.26 -4.76 113.70 109.82 3i7t s SER 21 Ca 0.09 -0.30 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 3i7t s SER 21 Cb 0.02 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 3i7t s SER 21 CO -0.07 0.08 1.56 0.03 0.41 0.00 0.00 173.24 175.25 3i7t h ARG 22 N 2.56 0.71 -3.35 12.44 2.47 -0.91 -3.39 114.38 124.90 3i7t h ARG 22 Ca -0.47 -0.23 -0.14 0.00 -1.26 0.00 0.00 59.98 57.87 3i7t h ARG 22 Cb 1.20 -0.06 -0.21 0.00 -1.65 0.00 0.00 29.97 29.25 3i7t h ARG 22 CO 0.60 0.81 -0.43 0.00 0.56 0.00 0.00 179.97 181.50 3i7t s ALA 23 N -4.96 -0.47 -0.02 0.04 0.00 -1.14 -0.58 121.76 114.63 3i7t s ALA 23 Ca -0.13 0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3i7t s ALA 23 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3i7t s ALA 23 CO 0.80 -0.21 -0.09 0.08 0.00 0.00 0.00 175.76 176.33 3i7t s VAL 24 N -1.18 0.79 -0.11 0.00 1.01 -0.47 -0.61 120.40 119.83 3i7t s VAL 24 Ca -0.13 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3i7t s VAL 24 Cb -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3i7t s VAL 24 CO 0.02 0.24 -0.21 -0.60 0.00 0.00 0.00 175.10 174.55 3i7t s ARG 25 N 0.08 2.81 -0.01 2.72 3.52 -0.14 -0.96 118.95 126.97 3i7t s ARG 25 Ca -0.01 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 3i7t s ARG 25 Cb -0.07 -2.20 0.01 0.00 -1.56 0.00 0.00 34.95 31.13 3i7t s ARG 25 CO 0.00 0.09 0.01 0.42 -0.81 0.00 0.00 175.30 175.01 3i7t s ILE 26 N 0.56 -0.01 0.00 4.11 1.09 -0.78 -1.52 121.20 124.65 3i7t s ILE 26 Ca -0.14 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 3i7t s ILE 26 Cb -0.17 -0.05 0.00 0.00 -1.06 0.00 0.00 42.46 41.18 3i7t s ILE 26 CO 0.05 0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 3i7t n GLY 27 N 3.51 2.61 0.16 6.18 0.00 -1.26 -2.45 105.19 113.93 3i7t n GLY 27 Ca -0.18 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3i7t n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i7t n PRO 28 N 14.00 0.50 -2.42 1.61 -0.04 -1.26 -4.86 135.00 142.53 3i7t n PRO 28 Ca 0.00 -0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 62.72 3i7t n PRO 28 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3i7t n PRO 28 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i7t s LEU 29 N -2.72 4.40 -0.13 1.53 2.96 -1.03 0.32 118.68 124.02 3i7t s LEU 29 Ca 0.18 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3i7t s LEU 29 Cb 0.18 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.31 3i7t s LEU 29 CO 0.62 -0.42 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.42 3i7t s VAL 30 N 0.67 1.33 -0.05 1.68 1.01 -0.70 -1.86 120.40 122.48 3i7t s VAL 30 Ca 0.56 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3i7t s VAL 30 Cb -0.30 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3i7t s VAL 30 CO 0.31 0.42 0.03 0.68 0.00 0.00 0.00 175.10 176.54 3i7t s VAL 31 N 1.52 4.45 -0.07 2.92 -7.23 -0.13 -0.39 120.40 121.46 3i7t s VAL 31 Ca 0.04 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 3i7t s VAL 31 Cb -0.13 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.86 3i7t s VAL 31 CO -0.09 0.51 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.31 3i7t s VAL 32 N -1.00 2.40 0.87 1.32 1.01 -0.32 -1.37 120.40 123.31 3i7t s VAL 32 Ca 0.17 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3i7t s VAL 32 Cb -0.12 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.46 3i7t s VAL 32 CO 0.06 0.57 1.06 0.00 0.00 0.00 0.00 175.10 176.79 3i7t n ALA 33 N 2.91 -0.74 -1.64 5.51 0.00 0.25 -3.50 120.51 123.31 3i7t n ALA 33 Ca -0.17 -0.46 -0.49 0.00 0.00 0.00 0.00 53.44 52.31 3i7t n ALA 33 Cb 0.52 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 3i7t n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7t n GLY 34 N 0.59 0.84 3.12 0.00 0.00 -1.26 -4.51 105.19 103.97 3i7t n GLY 34 Ca 0.12 0.70 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 3i7t n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7t s THR 35 N 1.00 1.61 0.49 2.61 2.01 0.12 -4.88 115.64 118.60 3i7t s THR 35 Ca 0.83 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 62.15 3i7t s THR 35 Cb -0.82 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 70.29 3i7t s THR 35 CO 0.44 0.46 0.46 0.42 -0.69 0.00 0.00 174.62 175.71 3i7t s THR 36 N 0.55 2.20 0.08 -0.82 -4.23 -1.26 -0.64 115.64 111.52 3i7t s THR 36 Ca -0.16 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3i7t s THR 36 Cb -0.17 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3i7t s THR 36 CO 0.06 0.00 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.18 3i7t s GLY 37 N -4.28 0.85 0.80 3.99 0.00 -1.25 -4.29 107.32 103.13 3i7t s GLY 37 Ca 0.45 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 3i7t s GLY 37 CO 0.27 -1.09 1.11 -0.56 0.00 0.00 0.00 173.10 172.83 3i7t s SER 38 N -1.96 4.54 0.00 1.64 0.01 -1.26 -4.77 113.70 111.91 3i7t s SER 38 Ca 0.00 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.40 3i7t s SER 38 Cb -0.08 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.32 3i7t s SER 38 CO 0.02 -1.92 0.00 0.61 0.41 0.00 0.00 173.24 172.36 3i7t n GLY 39 N -2.48 3.33 0.07 3.44 0.00 -1.26 -3.51 105.19 104.77 3i7t n GLY 39 Ca 0.07 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 3i7t n GLY 39 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3i7t h ASP 40 N 0.00 0.00 -4.07 1.61 1.82 -1.94 -3.43 116.42 110.40 3i7t h ASP 40 Ca 0.00 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.26 3i7t h ASP 40 Cb 0.00 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 39.87 3i7t h ASP 40 CO 0.00 0.96 -0.63 -0.62 -1.61 0.00 0.00 179.24 177.34 3i7t s ASP 41 N -6.47 1.61 0.25 2.28 3.68 -1.26 -5.02 116.67 111.73 3i7t s ASP 41 Ca -0.01 -1.33 -0.04 0.00 2.13 0.00 0.00 52.55 53.30 3i7t s ASP 41 Cb 0.09 0.07 0.37 0.00 -1.45 0.00 0.00 42.92 41.99 3i7t s ASP 41 CO 0.82 -0.64 1.86 -0.29 0.13 0.00 0.00 175.17 177.05 3i7t h ILE 42 N 2.37 1.05 0.12 4.11 2.10 -1.96 -1.41 117.51 123.88 3i7t h ILE 42 Ca -0.39 -0.35 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 3i7t h ILE 42 Cb 1.24 -0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.89 3i7t h ILE 42 CO 0.64 0.19 -0.09 0.00 -1.08 0.00 0.00 178.15 177.81 3i7t h ALA 43 N 1.43 -0.20 -0.90 0.18 0.00 -1.97 -0.36 119.26 117.43 3i7t h ALA 43 Ca 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i7t h ALA 43 Cb 0.19 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3i7t h ALA 43 CO -0.18 -0.62 0.55 0.00 0.00 0.00 0.00 179.25 179.00 3i7t h ALA 44 N 0.65 1.15 -0.65 0.00 0.00 -1.72 -1.52 119.26 117.18 3i7t h ALA 44 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3i7t h ALA 44 Cb 0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3i7t h ALA 44 CO -0.00 0.60 0.08 1.96 0.00 0.00 0.00 179.25 181.89 3i7t h GLN 45 N 1.24 1.09 -0.33 0.00 4.20 -1.10 -0.99 115.11 119.22 3i7t h GLN 45 Ca 0.33 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3i7t h GLN 45 Cb -0.06 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3i7t h GLN 45 CO -0.06 1.01 0.15 1.15 -0.67 0.00 0.00 178.83 180.40 3i7t h THR 46 N 1.01 1.17 -0.63 -0.54 2.02 -0.60 0.29 112.91 115.64 3i7t h THR 46 Ca 0.19 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.87 3i7t h THR 46 Cb 0.47 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3i7t h THR 46 CO 0.02 0.18 0.42 0.03 0.37 0.00 0.00 175.52 176.54 3i7t h ARG 47 N 0.40 0.82 -0.25 6.66 3.08 -1.08 -1.31 114.38 122.69 3i7t h ARG 47 Ca 0.11 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3i7t h ARG 47 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i7t h ARG 47 CO -0.01 0.54 -0.37 0.22 -1.07 0.00 0.00 179.97 179.28 3i7t h ASP 48 N 0.84 0.60 -0.61 7.04 3.58 -1.04 -0.26 116.42 126.58 3i7t h ASP 48 Ca 0.23 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 3i7t h ASP 48 Cb -0.08 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 3i7t h ASP 48 CO -0.06 0.92 0.15 0.00 -2.88 0.00 0.00 179.24 177.37 3i7t h ALA 49 N 1.11 1.06 -0.03 -0.78 0.00 -0.59 -1.84 119.26 118.20 3i7t h ALA 49 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3i7t h ALA 49 Cb 0.87 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i7t h ALA 49 CO 0.07 0.62 -0.74 -0.07 0.00 0.00 0.00 179.25 179.13 3i7t h LEU 50 N 0.96 0.24 -0.61 0.00 3.38 -0.85 -1.60 115.31 116.83 3i7t h LEU 50 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i7t h LEU 50 Cb 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3i7t h LEU 50 CO 0.00 0.90 0.29 -0.09 0.09 0.00 0.00 178.44 179.63 3i7t h ARG 51 N 0.13 0.88 -0.45 1.13 2.43 -0.80 -1.70 114.38 116.00 3i7t h ARG 51 Ca -0.02 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 3i7t h ARG 51 Cb 1.30 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3i7t h ARG 51 CO 0.11 0.71 -0.20 0.00 -1.51 0.00 0.00 179.97 179.08 3i7t h ARG 52 N 0.83 0.90 -0.39 0.20 3.08 -1.16 -1.20 114.38 116.63 3i7t h ARG 52 Ca 0.21 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i7t h ARG 52 Cb 0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 3i7t h ARG 52 CO -0.03 1.01 0.13 0.82 -1.07 0.00 0.00 179.97 180.84 3i7t h ILE 53 N 0.78 0.87 -0.41 2.04 2.04 -1.16 -0.43 117.51 121.24 3i7t h ILE 53 Ca 0.11 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3i7t h ILE 53 Cb 0.75 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3i7t h ILE 53 CO 0.06 0.05 0.17 -0.08 0.00 0.00 0.00 178.15 178.36 3i7t h GLU 54 N 0.28 0.35 -0.61 2.37 4.81 -1.04 0.11 114.58 120.85 3i7t h GLU 54 Ca 0.18 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3i7t h GLU 54 Cb 0.18 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3i7t h GLU 54 CO -0.20 0.23 0.40 0.82 -0.73 0.00 0.00 179.01 179.53 3i7t h ILE 55 N 0.36 1.14 -0.16 2.32 2.04 -0.89 0.12 117.51 122.44 3i7t h ILE 55 Ca 0.18 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3i7t h ILE 55 Cb 0.13 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3i7t h ILE 55 CO -0.16 0.15 -0.02 0.00 0.00 0.00 0.00 178.15 178.12 3i7t h ALA 56 N 1.23 0.22 -0.45 1.87 0.00 -0.76 -2.05 119.26 119.32 3i7t h ALA 56 Ca 0.23 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3i7t h ALA 56 Cb -0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3i7t h ALA 56 CO -0.06 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.04 3i7t h LEU 57 N 0.03 -0.26 -1.02 0.00 3.38 -0.50 -2.25 115.31 114.68 3i7t h LEU 57 Ca 0.04 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3i7t h LEU 57 Cb 0.42 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3i7t h LEU 57 CO 0.01 -0.09 0.23 1.23 0.09 0.00 0.00 178.44 179.91 3i7t h GLY 58 N 0.07 1.00 2.00 0.83 0.00 -0.40 0.12 103.07 106.69 3i7t h GLY 58 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i7t h GLY 58 CO -0.40 0.50 0.00 1.46 0.00 0.00 0.00 176.54 178.10 3i7t h GLN 59 N 0.91 0.00 -0.57 4.80 4.20 -0.95 -2.04 115.11 121.46 3i7t h GLN 59 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3i7t h GLN 59 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3i7t h GLN 59 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 3i7t n ALA 60 N -1.86 3.37 -1.82 3.87 0.00 0.18 -4.95 120.51 119.30 3i7t n ALA 60 Ca 0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 53.44 51.55 3i7t n ALA 60 Cb 0.23 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3i7t n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7t n GLY 61 N 0.74 0.48 3.40 0.00 0.00 -0.77 -4.95 105.19 104.10 3i7t n GLY 61 Ca 0.26 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 3i7t n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7t s ALA 62 N -2.47 2.22 0.32 4.61 0.00 0.13 -4.99 121.76 121.59 3i7t s ALA 62 Ca 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.13 3i7t s ALA 62 Cb 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 3i7t s ALA 62 CO 0.00 -0.10 0.06 0.95 0.00 0.00 0.00 175.76 176.67 3i7t s THR 63 N -3.09 1.13 0.43 0.00 -4.23 -1.26 -2.41 115.64 106.20 3i7t s THR 63 Ca 0.29 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.95 3i7t s THR 63 Cb 0.04 -2.77 0.36 0.00 1.34 0.00 0.00 72.50 71.47 3i7t s THR 63 CO 0.11 0.00 1.92 -0.07 -0.54 0.00 0.00 174.62 176.04 3i7t h LEU 64 N 2.11 0.39 -0.53 4.79 3.38 -1.96 -0.58 115.31 122.92 3i7t h LEU 64 Ca -0.40 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3i7t h LEU 64 Cb 1.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3i7t h LEU 64 CO 0.69 0.20 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3i7t n ALA 65 N -2.52 1.17 0.68 1.53 0.00 -1.26 -1.58 120.51 118.52 3i7t n ALA 65 Ca 0.14 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3i7t n ALA 65 Cb 0.53 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.88 3i7t n ALA 65 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i7t n ASP 66 N -1.82 0.63 -4.69 0.00 8.00 -0.22 -4.94 116.55 113.52 3i7t n ASP 66 Ca 0.00 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 3i7t n ASP 66 Cb 0.06 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3i7t n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i7t s VAL 67 N -3.14 3.27 -0.05 2.53 1.01 -0.62 -0.92 120.40 122.49 3i7t s VAL 67 Ca 0.06 0.68 0.14 0.00 0.00 0.00 0.00 61.98 62.86 3i7t s VAL 67 Cb 0.15 -3.44 -0.21 0.00 0.00 0.00 0.00 36.38 32.88 3i7t s VAL 67 CO 0.78 -0.01 0.25 1.33 0.00 0.00 0.00 175.10 177.45 3i7t n VAL 68 N 4.75 0.21 -3.78 2.92 0.24 0.34 -4.38 118.33 118.63 3i7t n VAL 68 Ca 0.15 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 3i7t n VAL 68 Cb 0.42 -0.02 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 3i7t n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i7t s ARG 69 N -2.83 0.15 0.27 7.34 3.52 -1.00 -1.28 118.95 125.13 3i7t s ARG 69 Ca -0.06 0.31 0.11 0.00 -0.13 0.00 0.00 55.73 55.96 3i7t s ARG 69 Cb 0.08 -0.03 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 3i7t s ARG 69 CO 0.58 -0.09 -0.17 0.95 -0.81 0.00 0.00 175.30 175.77 3i7t s THR 70 N 0.58 2.66 -0.04 4.11 -4.23 -0.14 -0.53 115.64 118.05 3i7t s THR 70 Ca -0.04 -2.26 -0.01 0.00 -1.18 0.00 0.00 61.69 58.19 3i7t s THR 70 Cb -0.06 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.43 3i7t s THR 70 CO -0.03 -0.36 0.08 -0.60 -0.54 0.00 0.00 174.62 173.17 3i7t s ARG 71 N -3.44 0.01 -0.18 3.99 3.52 -0.84 -3.10 118.95 118.92 3i7t s ARG 71 Ca 0.29 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.19 3i7t s ARG 71 Cb -0.06 -0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.11 3i7t s ARG 71 CO 0.15 -0.19 -0.20 0.42 -0.81 0.00 0.00 175.30 174.68 3i7t s ILE 72 N 1.26 2.08 -0.21 4.11 1.01 -0.11 -0.93 121.20 128.42 3i7t s ILE 72 Ca -0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 3i7t s ILE 72 Cb -0.12 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3i7t s ILE 72 CO -0.04 0.54 0.10 -0.31 0.00 0.00 0.00 174.94 175.23 3i7t s TYR 73 N 1.28 3.29 0.14 3.97 2.02 0.02 -1.44 117.35 126.63 3i7t s TYR 73 Ca 0.05 0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 3i7t s TYR 73 Cb -0.13 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3i7t s TYR 73 CO -0.13 0.12 -0.19 0.14 -1.57 0.00 0.00 175.55 173.92 3i7t s VAL 74 N 0.64 1.77 -0.56 0.71 -7.23 -0.65 -0.52 120.40 114.57 3i7t s VAL 74 Ca 0.05 -1.76 0.24 0.00 -1.81 0.00 0.00 61.98 58.70 3i7t s VAL 74 Cb -0.13 -1.72 0.07 0.00 0.56 0.00 0.00 36.38 35.16 3i7t s VAL 74 CO 0.01 -0.21 1.31 0.71 -0.31 0.00 0.00 175.10 176.61 3i7t h THR 75 N 3.60 0.00 -2.58 5.32 1.35 -1.61 -0.23 112.91 118.76 3i7t h THR 75 Ca -0.44 -0.61 -0.51 0.00 -0.55 0.00 0.00 66.41 64.30 3i7t h THR 75 Cb 1.20 1.22 -0.38 0.00 -1.73 0.00 0.00 68.15 68.45 3i7t h THR 75 CO 0.46 0.00 -0.78 -0.62 -0.25 0.00 0.00 175.52 174.33 3i7t s ASP 76 N -4.56 2.94 0.08 5.36 -1.08 -1.26 -4.77 116.67 113.39 3i7t s ASP 76 Ca 0.05 -1.55 0.18 0.00 -0.52 0.00 0.00 52.55 50.71 3i7t s ASP 76 Cb 0.12 -0.19 0.76 0.00 -1.46 0.00 0.00 42.92 42.15 3i7t s ASP 76 CO 0.72 -0.38 1.57 0.00 0.52 0.00 0.00 175.17 177.61 3i7t n ILE 77 N 4.77 0.89 0.33 4.11 3.06 -1.26 -1.25 119.36 130.02 3i7t n ILE 77 Ca 0.02 0.22 0.10 0.00 -2.50 0.00 0.00 62.75 60.59 3i7t n ILE 77 Cb 0.41 -1.02 0.45 0.00 0.54 0.00 0.00 39.64 40.02 3i7t n ILE 77 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3i7t n SER 78 N -1.74 0.49 -2.10 9.51 3.41 -1.26 -1.82 113.62 120.10 3i7t n SER 78 Ca 0.03 0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 59.17 3i7t n SER 78 Cb 0.20 -0.74 0.27 0.00 -0.26 0.00 0.00 64.21 63.68 3i7t n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i7t n ARG 79 N -2.07 3.28 0.27 4.33 1.74 -0.38 -4.65 116.66 119.19 3i7t n ARG 79 Ca 0.01 -3.07 0.12 0.00 -0.77 0.00 0.00 57.85 54.15 3i7t n ARG 79 Cb 0.16 -2.22 0.79 0.00 -1.02 0.00 0.00 32.46 30.17 3i7t n ARG 79 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3i7t h TRP 80 N 2.16 0.00 -0.19 -1.55 5.08 -1.55 -2.66 115.95 117.24 3i7t h TRP 80 Ca 0.39 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.18 3i7t h TRP 80 Cb 2.54 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.69 3i7t h TRP 80 CO 1.41 0.00 -0.60 0.00 -1.28 0.00 0.00 178.44 177.96 3i7t h ARG 81 N 0.00 0.64 -0.84 0.12 3.08 -1.86 0.19 114.38 115.71 3i7t h ARG 81 Ca 0.01 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 3i7t h ARG 81 Cb 0.02 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3i7t h ARG 81 CO -0.00 1.05 0.44 0.93 -1.07 0.00 0.00 179.97 181.32 3i7t h GLU 82 N 0.48 1.18 -0.01 0.04 5.08 -1.85 -1.56 114.58 117.94 3i7t h GLU 82 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3i7t h GLU 82 Cb 1.18 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3i7t h GLU 82 CO 0.12 0.88 -0.06 0.28 -1.00 0.00 0.00 179.01 179.23 3i7t h VAL 83 N 1.18 1.54 -0.84 3.13 2.07 -1.50 -3.28 116.25 118.55 3i7t h VAL 83 Ca 0.29 -1.69 0.14 0.00 0.82 0.00 0.00 66.70 66.27 3i7t h VAL 83 Cb 0.06 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 3i7t h VAL 83 CO -0.04 0.45 0.43 1.23 0.02 0.00 0.00 177.57 179.66 3i7t h GLY 84 N -0.62 1.36 0.66 2.17 0.00 -0.54 -1.83 103.07 104.29 3i7t h GLY 84 Ca -0.01 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.13 3i7t h GLY 84 CO 0.01 -0.03 0.35 0.83 0.00 0.00 0.00 176.54 177.71 3i7t h GLU 85 N 0.63 0.63 -0.47 4.80 5.08 -1.36 0.26 114.58 124.15 3i7t h GLU 85 Ca 0.46 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.66 3i7t h GLU 85 Cb 0.63 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3i7t h GLU 85 CO -0.35 0.42 -0.18 0.28 -1.00 0.00 0.00 179.01 178.17 3i7t h VAL 86 N 0.65 1.27 -0.61 3.13 2.07 -1.47 -1.07 116.25 120.22 3i7t h VAL 86 Ca 0.29 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3i7t h VAL 86 Cb 0.20 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3i7t h VAL 86 CO -0.19 0.46 0.16 -0.74 0.02 0.00 0.00 177.57 177.28 3i7t h HIS 87 N 0.79 0.96 -0.35 1.57 -0.00 -0.79 -1.92 115.15 115.42 3i7t h HIS 87 Ca 0.11 -0.09 -0.11 0.00 -0.00 0.00 0.00 60.37 60.27 3i7t h HIS 87 Cb 0.75 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 3i7t h HIS 87 CO 0.05 0.79 -0.23 0.00 -0.00 0.00 0.00 177.93 178.55 3i7t h ALA 88 N 1.28 0.50 -0.26 5.26 0.00 -0.37 0.52 119.26 126.19 3i7t h ALA 88 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3i7t h ALA 88 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i7t h ALA 88 CO -0.00 0.47 -0.00 0.37 0.00 0.00 0.00 179.25 180.08 3i7t h GLN 89 N 0.55 0.38 0.17 0.00 5.75 -1.01 0.24 115.11 121.20 3i7t h GLN 89 Ca 0.07 -0.07 -0.30 0.00 -0.15 0.00 0.00 58.65 58.21 3i7t h GLN 89 Cb 0.78 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 29.29 3i7t h GLN 89 CO 0.06 0.41 -1.34 0.00 -2.65 0.00 0.00 178.83 175.32 3i7t h ALA 90 N 1.64 0.01 0.00 3.38 0.00 -0.96 -3.41 119.26 119.91 3i7t h ALA 90 Ca 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3i7t h ALA 90 Cb 0.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i7t h ALA 90 CO 0.01 0.88 -0.14 1.19 0.00 0.00 0.00 179.25 181.19 3i7t n PHE 91 N -3.60 0.00 -0.31 0.00 3.72 0.18 -4.80 117.46 112.65 3i7t n PHE 91 Ca -0.12 -0.72 0.05 0.00 -0.05 0.00 0.00 57.45 56.62 3i7t n PHE 91 Cb 1.05 -0.12 0.25 0.00 -0.94 0.00 0.00 39.48 39.72 3i7t n PHE 91 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i7t h GLY 92 N 0.00 1.38 0.45 1.37 0.00 -0.71 0.16 103.07 105.72 3i7t h GLY 92 Ca 0.00 -0.41 -0.26 0.00 0.00 0.00 0.00 47.33 46.66 3i7t h GLY 92 CO 0.00 0.25 -1.34 0.50 0.00 0.00 0.00 176.54 175.96 3i7t h LYS 93 N 0.99 0.20 0.18 4.80 1.57 -1.87 -3.40 116.57 119.04 3i7t h LYS 93 Ca 0.42 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3i7t h LYS 93 Cb 0.31 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3i7t h LYS 93 CO -0.18 1.16 -0.09 0.82 -0.57 0.00 0.00 179.45 180.60 3i7t h ILE 94 N -0.42 0.93 -5.56 1.86 2.04 -1.84 -3.48 117.51 111.04 3i7t h ILE 94 Ca -0.30 -0.57 -0.24 0.00 1.00 0.00 0.00 64.86 64.75 3i7t h ILE 94 Cb 1.67 1.27 0.15 0.00 -0.74 0.00 0.00 36.82 39.17 3i7t h ILE 94 CO 0.02 0.13 -0.74 0.54 0.00 0.00 0.00 178.15 178.10 3i7t n ARG 95 N -5.07 -1.96 -0.93 2.37 1.74 0.56 -4.99 116.66 108.38 3i7t n ARG 95 Ca -0.09 0.91 -0.29 0.00 -0.77 0.00 0.00 57.85 57.61 3i7t n ARG 95 Cb 0.21 -5.55 0.20 0.00 -1.02 0.00 0.00 32.46 26.30 3i7t n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i7t s PRO 96 N -4.40 0.08 0.56 5.56 0.04 -1.26 -5.01 135.00 130.58 3i7t s PRO 96 Ca 0.39 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 3i7t s PRO 96 Cb -0.06 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 3i7t s PRO 96 CO 0.76 -3.02 1.05 0.14 0.04 0.00 0.00 177.00 175.97 3i7t s VAL 97 N -2.76 3.80 0.29 -0.36 -7.23 -0.40 -4.87 120.40 108.87 3i7t s VAL 97 Ca 0.66 0.92 0.04 0.00 -1.81 0.00 0.00 61.98 61.80 3i7t s VAL 97 Cb -0.21 -3.40 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 3i7t s VAL 97 CO 0.60 -0.44 0.21 -0.89 -0.31 0.00 0.00 175.10 174.28 3i7t s THR 98 N -2.32 0.05 0.03 5.32 2.01 -1.26 -0.97 115.64 118.50 3i7t s THR 98 Ca 0.65 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.62 3i7t s THR 98 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 3i7t s THR 98 CO 0.32 0.00 0.03 -0.44 -0.69 0.00 0.00 174.62 173.84 3i7t s SER 99 N -3.31 0.23 -0.05 3.53 0.01 -1.18 -4.99 113.70 107.94 3i7t s SER 99 Ca 0.39 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 3i7t s SER 99 Cb 0.04 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.47 3i7t s SER 99 CO 0.21 -0.42 0.03 -0.32 0.41 0.00 0.00 173.24 173.15 3i7t s MET 100 N -2.17 0.29 0.08 12.44 1.75 -1.26 -0.93 119.30 129.50 3i7t s MET 100 Ca -0.09 0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.61 3i7t s MET 100 Cb -0.04 -0.72 -0.03 0.00 2.84 0.00 0.00 34.83 36.87 3i7t s MET 100 CO -0.03 -0.29 -0.11 0.14 -0.65 0.00 0.00 175.02 174.08 3i7t s VAL 101 N 1.94 0.94 -0.05 10.11 -7.23 -0.52 -5.01 120.40 120.58 3i7t s VAL 101 Ca 0.03 -1.47 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 3i7t s VAL 101 Cb -0.12 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 3i7t s VAL 101 CO -0.04 -0.44 0.58 -0.70 -0.31 0.00 0.00 175.10 174.19 3i7t s GLU 102 N -2.33 4.33 0.27 4.82 2.12 -1.26 -1.63 118.70 125.02 3i7t s GLU 102 Ca 0.01 0.68 0.10 0.00 0.36 0.00 0.00 54.97 56.12 3i7t s GLU 102 Cb -0.06 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3i7t s GLU 102 CO 0.01 0.27 -0.01 0.14 -0.54 0.00 0.00 175.26 175.12 3i7t s VAL 103 N 0.18 3.36 0.17 3.70 -7.23 -0.10 -4.92 120.40 115.57 3i7t s VAL 103 Ca 0.31 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 3i7t s VAL 103 Cb -0.17 -2.82 0.04 0.00 0.56 0.00 0.00 36.38 33.99 3i7t s VAL 103 CO 0.15 -0.36 1.61 0.71 -0.31 0.00 0.00 175.10 176.90 3i7t h THR 104 N 1.89 1.27 -2.86 5.32 1.35 -1.92 -3.40 112.91 114.56 3i7t h THR 104 Ca -0.44 -1.23 -0.08 0.00 -0.55 0.00 0.00 66.41 64.11 3i7t h THR 104 Cb 1.25 0.92 -0.17 0.00 -1.73 0.00 0.00 68.15 68.41 3i7t h THR 104 CO 0.61 0.44 -0.07 0.00 -0.25 0.00 0.00 175.52 176.24 3i7t s ALA 105 N -4.90 -1.12 0.43 6.62 0.00 -1.26 -4.99 121.76 116.53 3i7t s ALA 105 Ca -0.12 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.39 3i7t s ALA 105 Cb 0.13 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.57 3i7t s ALA 105 CO 0.86 -0.42 0.51 1.28 0.00 0.00 0.00 175.76 177.99 3i7t n LEU 106 N 0.68 0.00 0.22 0.00 4.77 -1.26 -5.01 117.00 116.39 3i7t n LEU 106 Ca -0.19 -1.96 0.17 0.00 -0.03 0.00 0.00 56.01 54.00 3i7t n LEU 106 Cb 0.59 -0.22 0.84 0.00 -2.33 0.00 0.00 43.42 42.29 3i7t n LEU 106 CO 0.21 -0.61 1.14 -0.29 -1.33 0.00 0.00 177.39 176.51 3i7t h ILE 107 N 0.25 0.48 -3.96 -0.08 6.09 -2.01 -3.41 117.51 114.88 3i7t h ILE 107 Ca -0.22 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 63.05 3i7t h ILE 107 Cb 0.94 0.86 -0.22 0.00 0.47 0.00 0.00 36.82 38.87 3i7t h ILE 107 CO 0.33 0.00 -0.71 0.00 -3.07 0.00 0.00 178.15 174.69 3i7t s ALA 108 N -4.64 0.28 0.28 0.18 0.00 -1.26 -5.07 121.76 111.53 3i7t s ALA 108 Ca -0.05 -0.59 0.29 0.00 0.00 0.00 0.00 51.96 51.61 3i7t s ALA 108 Cb 0.15 0.09 1.34 0.00 0.00 0.00 0.00 23.12 24.70 3i7t s ALA 108 CO 0.55 -0.09 2.00 -1.00 0.00 0.00 0.00 175.76 177.21 3i7t h PRO 109 N 4.76 0.00 -0.00 0.00 0.14 -2.02 -2.22 132.00 132.65 3i7t h PRO 109 Ca -0.33 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.81 3i7t h PRO 109 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.35 3i7t h PRO 109 CO 0.42 0.12 -0.11 0.41 0.14 0.00 0.00 178.00 178.98 3i7t n GLY 110 N -0.30 -0.84 3.68 1.56 0.00 -1.26 -4.84 105.19 103.19 3i7t n GLY 110 Ca -0.01 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3i7t n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7t s LEU 111 N -2.42 4.19 -0.00 0.99 1.43 -0.84 -4.95 118.68 117.09 3i7t s LEU 111 Ca 0.30 0.82 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 3i7t s LEU 111 Cb 0.20 -2.81 -0.11 0.00 0.03 0.00 0.00 46.19 43.50 3i7t s LEU 111 CO 0.46 -0.17 0.33 0.18 0.23 0.00 0.00 176.35 177.38 3i7t n LEU 112 N 4.53 0.31 -3.68 1.79 4.77 -1.26 -4.53 117.00 118.93 3i7t n LEU 112 Ca -0.04 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 3i7t n LEU 112 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3i7t n LEU 112 CO 0.43 0.08 0.26 0.54 -1.33 0.00 0.00 177.39 177.37 3i7t s VAL 113 N -2.04 -0.00 -0.01 4.08 0.11 -1.26 -1.93 120.40 119.35 3i7t s VAL 113 Ca 0.02 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 3i7t s VAL 113 Cb 0.06 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 3i7t s VAL 113 CO 0.36 0.00 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.34 3i7t s GLU 114 N 0.44 0.82 -0.07 1.54 2.12 0.33 -4.36 118.70 119.53 3i7t s GLU 114 Ca -0.01 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.02 3i7t s GLU 114 Cb -0.04 -0.79 0.01 0.00 0.26 0.00 0.00 34.13 33.57 3i7t s GLU 114 CO -0.01 0.18 -0.15 0.42 -0.54 0.00 0.00 175.26 175.16 3i7t s ILE 115 N -0.11 1.35 0.27 -3.70 1.01 0.19 -0.80 121.20 119.41 3i7t s ILE 115 Ca 0.02 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.11 3i7t s ILE 115 Cb -0.05 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3i7t s ILE 115 CO -0.00 0.40 0.31 -1.61 0.00 0.00 0.00 174.94 174.04 3i7t s GLU 116 N 0.47 3.12 -0.05 2.79 2.02 -0.10 0.11 118.70 127.06 3i7t s GLU 116 Ca -0.13 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 3i7t s GLU 116 Cb -0.15 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.38 3i7t s GLU 116 CO 0.04 0.32 0.24 0.00 0.02 0.00 0.00 175.26 175.88 3i7t s ALA 117 N -2.11 -0.59 -0.04 5.21 0.00 -1.23 -1.98 121.76 121.03 3i7t s ALA 117 Ca 0.36 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.78 3i7t s ALA 117 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3i7t s ALA 117 CO 0.28 -0.18 -0.24 -0.51 0.00 0.00 0.00 175.76 175.11 3i7t s ASP 118 N -0.64 3.20 0.12 0.00 1.01 0.31 -1.17 116.67 119.50 3i7t s ASP 118 Ca -0.07 -0.44 0.05 0.00 0.71 0.00 0.00 52.55 52.79 3i7t s ASP 118 Cb -0.04 -0.57 -0.04 0.00 1.01 0.00 0.00 42.92 43.28 3i7t s ASP 118 CO 0.02 0.30 -0.13 0.00 0.21 0.00 0.00 175.17 175.57 3i7t s ALA 119 N -0.48 1.39 -0.11 5.23 0.00 0.47 -0.50 121.76 127.75 3i7t s ALA 119 Ca 0.06 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3i7t s ALA 119 Cb -0.11 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3i7t s ALA 119 CO 0.01 0.05 -0.11 -0.47 0.00 0.00 0.00 175.76 175.23 3i7t s TYR 120 N -2.32 1.72 0.00 0.00 6.14 -0.10 -1.72 117.35 121.07 3i7t s TYR 120 Ca 0.09 -0.85 0.00 0.00 0.64 0.00 0.00 57.07 56.95 3i7t s TYR 120 Cb -0.04 -1.32 0.00 0.00 0.42 0.00 0.00 41.96 41.02 3i7t s TYR 120 CO 0.02 -0.51 0.00 0.28 0.64 0.00 0.00 175.55 175.98