#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ILE 2 N 0.00 0.00 -4.19 2.02 -0.00 -1.26 -5.07 119.36 110.86 3i1n n ILE 2 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 3i1n n ILE 2 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 39.64 39.48 3i1n n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1n s ARG 3 N -1.00 0.73 0.47 6.28 1.70 -1.26 -5.13 118.95 120.74 3i1n s ARG 3 Ca 0.00 -0.14 -0.23 0.00 -0.47 0.00 0.00 55.73 54.89 3i1n s ARG 3 Cb 0.00 -0.73 -0.07 0.00 -0.57 0.00 0.00 34.95 33.58 3i1n s ARG 3 CO 0.00 -0.01 1.21 -2.00 -1.08 0.00 0.00 175.30 173.41 3i1n s GLU 4 N 0.60 3.68 0.32 3.89 -6.30 -1.26 -4.88 118.70 114.75 3i1n s GLU 4 Ca -0.08 1.88 0.09 0.00 -2.50 0.00 0.00 54.97 54.36 3i1n s GLU 4 Cb -0.11 -2.42 0.91 0.00 0.00 0.00 0.00 34.13 32.50 3i1n s GLU 4 CO 0.00 -0.64 1.66 1.49 0.02 0.00 0.00 175.26 177.79 3i1n h GLU 5 N 2.03 0.29 -0.64 4.30 4.81 -2.00 -1.61 114.58 121.76 3i1n h GLU 5 Ca -0.50 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3i1n h GLU 5 Cb 1.26 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 3i1n h GLU 5 CO 0.60 0.20 -0.38 0.54 -0.73 0.00 0.00 179.01 179.24 3i1n n ARG 6 N -5.11 -0.28 0.20 1.92 1.74 -1.26 0.11 116.66 113.98 3i1n n ARG 6 Ca 0.27 1.26 0.14 0.00 -0.77 0.00 0.00 57.85 58.75 3i1n n ARG 6 Cb 0.83 -1.87 0.68 0.00 -1.02 0.00 0.00 32.46 31.09 3i1n n ARG 6 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i1n h LEU 7 N 0.00 0.00 -2.75 0.55 5.85 -1.66 -3.15 115.31 114.15 3i1n h LEU 7 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i1n h LEU 7 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3i1n h LEU 7 CO -0.60 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 177.68 3i1n n LEU 8 N -2.53 2.20 -2.81 2.25 4.77 0.30 -3.25 117.00 117.94 3i1n n LEU 8 Ca -0.00 -1.03 -0.37 0.00 -0.03 0.00 0.00 56.01 54.58 3i1n n LEU 8 Cb 0.15 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3i1n n LEU 8 CO 0.17 0.40 1.26 2.29 -1.33 0.00 0.00 177.39 180.18 3i1n n LYS 9 N 1.24 2.90 -0.00 3.23 2.85 -1.19 -4.56 118.16 122.62 3i1n n LYS 9 Ca 0.00 -3.72 0.08 0.00 -1.05 0.00 0.00 58.31 53.61 3i1n n LYS 9 Cb 0.26 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.27 3i1n n LYS 9 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i1n n VAL 10 N -0.54 0.00 -2.56 0.58 0.24 -1.20 -4.77 118.33 110.08 3i1n n VAL 10 Ca 0.51 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.34 62.14 3i1n n VAL 10 Cb 0.34 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 3i1n n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1n s LEU 11 N -3.44 3.25 -0.11 1.34 1.43 -1.26 -1.76 118.68 118.13 3i1n s LEU 11 Ca -0.00 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 3i1n s LEU 11 Cb 0.11 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3i1n s LEU 11 CO 0.64 -1.77 -0.07 0.03 0.23 0.00 0.00 176.35 175.41 3i1n h ARG 12 N 9.97 0.00 -2.35 1.70 2.47 -1.79 -3.48 114.38 120.91 3i1n h ARG 12 Ca -0.19 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.45 3i1n h ARG 12 Cb 1.04 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.17 3i1n h ARG 12 CO 1.31 0.00 0.03 0.00 0.56 0.00 0.00 179.97 181.86 3i1n s ALA 13 N -2.63 -1.44 0.74 0.04 0.00 -0.12 -5.03 121.76 113.33 3i1n s ALA 13 Ca -0.06 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 3i1n s ALA 13 Cb 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3i1n s ALA 13 CO 0.08 -0.33 1.10 -1.25 0.00 0.00 0.00 175.76 175.37 3i1n s PRO 14 N -1.11 2.40 -0.46 0.00 0.04 -1.26 0.15 135.00 134.76 3i1n s PRO 14 Ca -0.11 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3i1n s PRO 14 Cb -0.02 -1.91 0.42 0.00 0.04 0.00 0.00 34.50 33.03 3i1n s PRO 14 CO 0.07 -1.55 1.24 1.58 0.04 0.00 0.00 177.00 178.39 3i1n n HIS 15 N -3.19 3.25 -1.54 0.56 -0.00 -0.94 -4.56 115.22 108.80 3i1n n HIS 15 Ca 0.10 -2.87 -0.14 0.00 0.46 0.00 0.00 57.72 55.26 3i1n n HIS 15 Cb 0.53 -0.28 -0.10 0.00 -0.12 0.00 0.00 29.99 30.02 3i1n n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i1n n VAL 16 N -0.54 0.00 -3.35 3.57 0.31 -1.26 -4.68 118.33 112.38 3i1n n VAL 16 Ca 0.42 -0.44 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 3i1n n VAL 16 Cb 0.67 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 3i1n n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i1n s SER 17 N 8.90 -0.32 0.14 4.52 0.01 -1.26 -5.13 113.70 120.57 3i1n s SER 17 Ca 0.95 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.65 3i1n s SER 17 Cb -0.21 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.35 3i1n s SER 17 CO 0.16 -0.06 0.00 1.21 0.41 0.00 0.00 173.24 174.95 3i1n n GLU 18 N 4.55 -1.44 -0.35 12.44 4.07 -1.26 -3.91 120.64 134.74 3i1n n GLU 18 Ca -0.09 1.06 0.25 0.00 -0.06 0.00 0.00 57.16 58.33 3i1n n GLU 18 Cb 0.54 -1.19 0.50 0.00 -0.06 0.00 0.00 31.44 31.24 3i1n n GLU 18 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 3i1n h LYS 19 N 0.64 0.30 -0.78 5.31 2.10 -1.99 -0.81 116.57 121.35 3i1n h LYS 19 Ca 0.00 -0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.70 3i1n h LYS 19 Cb 0.00 -0.07 -0.10 0.00 -0.90 0.00 0.00 32.23 31.17 3i1n h LYS 19 CO 0.00 0.20 -0.51 0.00 -2.00 0.00 0.00 179.45 177.14 3i1n h ALA 20 N 1.79 -0.52 0.15 0.07 0.00 -1.98 4.36 119.26 123.14 3i1n h ALA 20 Ca 0.73 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.73 3i1n h ALA 20 Cb 1.77 1.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.84 3i1n h ALA 20 CO -0.55 -0.86 -0.14 1.03 0.00 0.00 0.00 179.25 178.73 3i1n h SER 21 N -0.06 -0.38 0.49 0.00 0.87 -1.27 0.61 113.55 113.81 3i1n h SER 21 Ca 0.13 0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 3i1n h SER 21 Cb 0.38 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3i1n h SER 21 CO -0.76 -0.22 -0.88 0.71 -0.53 0.00 0.00 176.83 175.15 3i1n h THR 22 N -0.32 1.46 0.17 2.23 1.35 -0.38 -1.41 112.91 116.01 3i1n h THR 22 Ca 0.00 -2.53 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 3i1n h THR 22 Cb 0.30 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3i1n h THR 22 CO -0.03 0.74 -0.08 0.00 -0.25 0.00 0.00 175.52 175.90 3i1n h ALA 23 N 0.91 -0.23 0.00 6.62 0.00 0.84 0.28 119.26 127.69 3i1n h ALA 23 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i1n h ALA 23 Cb 1.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3i1n h ALA 23 CO 0.14 -0.59 0.00 -0.12 0.00 0.00 0.00 179.25 178.68 3i1n n MET 24 N -5.16 0.57 -0.01 0.00 0.00 0.20 -1.65 117.12 111.08 3i1n n MET 24 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.60 3i1n n MET 24 Cb 0.14 -1.24 -0.00 0.00 0.00 0.00 0.00 33.22 32.11 3i1n n MET 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3i1n n GLU 25 N 0.11 0.03 -1.11 2.12 4.07 -0.26 -3.83 120.64 121.77 3i1n n GLU 25 Ca 0.00 0.01 -0.33 0.00 -0.06 0.00 0.00 57.16 56.78 3i1n n GLU 25 Cb 0.12 -0.99 -0.02 0.00 -0.06 0.00 0.00 31.44 30.49 3i1n n GLU 25 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i1n n LYS 26 N -2.57 2.93 0.00 5.31 4.76 0.84 -3.07 118.16 126.36 3i1n n LYS 26 Ca -0.02 -1.92 0.00 0.00 -2.87 0.00 0.00 58.31 53.50 3i1n n LYS 26 Cb 0.52 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.01 3i1n n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1n n SER 27 N 4.15 0.00 -1.02 4.39 2.88 -1.24 -4.92 113.62 117.86 3i1n n SER 27 Ca 0.63 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.23 3i1n n SER 27 Cb 0.21 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 3i1n n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i1n n ASN 28 N 0.00 -6.07 -1.19 -3.46 0.23 -1.17 -4.76 115.26 98.84 3i1n n ASN 28 Ca 0.00 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 3i1n n ASN 28 Cb 0.00 -1.49 0.00 0.00 -2.08 0.00 0.00 39.78 36.21 3i1n n ASN 28 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3i1n n THR 29 N -2.51 -0.97 -3.79 5.53 5.66 -1.25 -2.90 114.28 114.05 3i1n n THR 29 Ca 0.00 0.48 -0.14 0.00 -3.05 0.00 0.00 64.05 61.34 3i1n n THR 29 Cb 0.22 -0.78 -0.15 0.00 -1.55 0.00 0.00 70.33 68.07 3i1n n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i1n s ILE 30 N -4.32 -0.04 -0.05 1.09 2.07 -1.26 -3.67 121.20 115.02 3i1n s ILE 30 Ca 0.00 0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.46 3i1n s ILE 30 Cb 0.00 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.51 3i1n s ILE 30 CO 0.00 0.07 -0.23 0.54 -1.91 0.00 0.00 174.94 173.40 3i1n s VAL 31 N 0.81 1.90 -0.28 4.00 0.11 -1.26 -1.04 120.40 124.65 3i1n s VAL 31 Ca -0.07 -0.99 -0.19 0.00 -2.93 0.00 0.00 61.98 57.80 3i1n s VAL 31 Cb -0.10 -1.61 0.09 0.00 -1.53 0.00 0.00 36.38 33.22 3i1n s VAL 31 CO -0.02 0.53 0.75 -1.48 -3.33 0.00 0.00 175.10 171.54 3i1n s LEU 32 N -0.14 -0.82 -0.02 2.54 2.34 -1.26 -2.21 118.68 119.12 3i1n s LEU 32 Ca -0.03 1.40 -0.35 0.00 0.06 0.00 0.00 54.13 55.21 3i1n s LEU 32 Cb -0.13 2.33 -0.13 0.00 -0.56 0.00 0.00 46.19 47.70 3i1n s LEU 32 CO 0.03 -0.23 1.75 1.17 -1.06 0.00 0.00 176.35 178.02 3i1n n LYS 33 N 3.62 2.05 -3.66 1.48 4.81 0.12 -2.37 118.16 124.22 3i1n n LYS 33 Ca -0.18 0.75 -0.27 0.00 -0.87 0.00 0.00 58.31 57.74 3i1n n LYS 33 Cb 0.57 -2.55 -0.17 0.00 0.02 0.00 0.00 35.03 32.91 3i1n n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i1n s VAL 34 N 2.89 0.18 0.00 3.15 -7.23 -0.86 -0.94 120.40 117.59 3i1n s VAL 34 Ca 0.88 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 3i1n s VAL 34 Cb -0.73 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 35.40 3i1n s VAL 34 CO 0.48 -0.29 0.00 0.00 -0.31 0.00 0.00 175.10 174.98 3i1n n ALA 35 N 5.17 0.00 -0.89 1.32 0.00 -0.72 -4.28 120.51 121.11 3i1n n ALA 35 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1n n ALA 35 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3i1n n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1n n LYS 36 N 12.03 0.01 0.00 0.00 0.00 -1.26 -3.48 118.16 125.47 3i1n n LYS 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3i1n n LYS 36 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3i1n n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1n n ASP 37 N 0.00 0.00 -0.09 3.14 10.43 -1.26 -4.93 116.55 123.84 3i1n n ASP 37 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i1n n ASP 37 Cb 0.00 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 42.58 3i1n n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1n n ALA 38 N -2.40 0.00 -0.25 2.24 0.00 -1.26 -4.82 120.51 114.01 3i1n n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1n n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1n n THR 39 N -0.19 0.00 0.00 0.00 -1.04 -1.26 -4.81 114.28 106.98 3i1n n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1n n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i1n n THR 39 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1n n LYS 40 N 0.00 0.00 0.01 -2.82 5.02 -1.26 -3.92 118.16 115.20 3i1n n LYS 40 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3i1n n LYS 40 Cb 0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.00 3i1n n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1n h ALA 41 N 0.00 -0.64 -0.01 7.82 0.00 -1.95 2.58 119.26 127.06 3i1n h ALA 41 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i1n h ALA 41 Cb 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3i1n h ALA 41 CO 0.00 -0.95 -0.52 1.49 0.00 0.00 0.00 179.25 179.27 3i1n h GLU 42 N -0.52 -0.63 0.00 0.00 4.81 -1.88 -0.41 114.58 115.95 3i1n h GLU 42 Ca 0.06 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3i1n h GLU 42 Cb 0.64 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3i1n h GLU 42 CO -0.38 -0.42 0.00 1.51 -0.73 0.00 0.00 179.01 178.99 3i1n n ILE 43 N -5.46 1.09 -0.02 2.32 3.06 -0.53 -2.36 119.36 117.46 3i1n n ILE 43 Ca -0.07 0.49 -0.06 0.00 -2.50 0.00 0.00 62.75 60.61 3i1n n ILE 43 Cb 0.39 -1.44 -0.05 0.00 0.54 0.00 0.00 39.64 39.08 3i1n n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i1n h LYS 44 N 0.00 -0.08 -0.42 9.51 3.64 0.61 -3.18 116.57 126.65 3i1n h LYS 44 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3i1n h LYS 44 Cb 0.15 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3i1n h LYS 44 CO 0.00 0.27 -0.28 0.00 -2.27 0.00 0.00 179.45 177.17 3i1n h ALA 45 N -0.63 -0.06 -0.46 5.00 0.00 -0.91 0.12 119.26 122.31 3i1n h ALA 45 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3i1n h ALA 45 Cb 0.38 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3i1n h ALA 45 CO 0.01 -0.66 -0.42 0.00 0.00 0.00 0.00 179.25 178.18 3i1n h ALA 46 N 0.92 -0.56 -0.03 0.00 0.00 -1.61 0.67 119.26 118.66 3i1n h ALA 46 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3i1n h ALA 46 Cb 0.51 1.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i1n h ALA 46 CO -0.53 -0.80 0.11 0.28 0.00 0.00 0.00 179.25 178.30 3i1n h VAL 47 N -0.19 0.12 0.13 0.00 2.07 -1.23 -2.49 116.25 114.67 3i1n h VAL 47 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3i1n h VAL 47 Cb 0.39 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3i1n h VAL 47 CO -0.54 0.00 -0.06 1.56 0.02 0.00 0.00 177.57 178.55 3i1n h GLN 48 N 0.00 -0.17 0.00 1.57 1.08 0.28 -3.32 115.11 114.55 3i1n h GLN 48 Ca 0.01 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3i1n h GLN 48 Cb 0.22 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3i1n h GLN 48 CO -0.00 -0.11 0.00 1.63 -0.95 0.00 0.00 178.83 179.40 3i1n n LYS 49 N -3.17 0.00 -1.47 1.46 4.76 -0.02 -2.45 118.16 117.27 3i1n n LYS 49 Ca -0.02 0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.05 3i1n n LYS 49 Cb 0.07 -0.91 0.06 0.00 -1.84 0.00 0.00 35.03 32.40 3i1n n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i1n n LEU 50 N -0.42 2.48 0.00 -0.35 4.32 -0.96 -2.12 117.00 119.95 3i1n n LEU 50 Ca 0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 3i1n n LEU 50 Cb 0.00 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 3i1n n LEU 50 CO 0.00 -2.41 0.00 0.49 -1.22 0.00 0.00 177.39 174.25 3i1n n PHE 51 N -2.01 0.00 -3.90 -1.77 3.01 -1.26 -4.29 117.46 107.24 3i1n n PHE 51 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.31 3i1n n PHE 51 Cb 0.48 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 39.92 3i1n n PHE 51 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3i1n n GLU 52 N -1.14 -4.86 -3.39 -1.08 0.28 -0.90 -4.84 120.64 104.72 3i1n n GLU 52 Ca 0.00 0.56 -0.16 0.00 -0.16 0.00 0.00 57.16 57.39 3i1n n GLU 52 Cb 0.00 -5.26 -0.04 0.00 1.43 0.00 0.00 31.44 27.58 3i1n n GLU 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i1n n VAL 53 N -4.52 0.00 -0.10 3.84 0.24 -1.24 -4.99 118.33 111.56 3i1n n VAL 53 Ca -0.08 -1.28 -0.20 0.00 -2.04 0.00 0.00 64.34 60.73 3i1n n VAL 53 Cb 0.58 0.32 -0.09 0.00 -1.47 0.00 0.00 33.84 33.18 3i1n n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1n n GLU 54 N -0.62 0.55 -1.63 7.34 -0.58 -1.26 -4.60 120.64 119.84 3i1n n GLU 54 Ca -0.09 0.51 -0.01 0.00 -0.42 0.00 0.00 57.16 57.15 3i1n n GLU 54 Cb 0.34 -1.69 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3i1n n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i1n n VAL 55 N -4.43 -4.01 0.10 2.62 0.31 -1.26 -4.78 118.33 106.88 3i1n n VAL 55 Ca -0.31 0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 3i1n n VAL 55 Cb 0.64 -3.95 -0.08 0.00 -0.91 0.00 0.00 33.84 29.54 3i1n n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i1n h GLU 56 N 0.46 -0.27 -1.13 5.55 4.81 -1.51 -3.42 114.58 119.08 3i1n h GLU 56 Ca -0.06 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 3i1n h GLU 56 Cb 0.13 0.06 -0.30 0.00 0.63 0.00 0.00 28.75 29.27 3i1n h GLU 56 CO 0.00 0.09 0.86 0.54 -0.73 0.00 0.00 179.01 179.78 3i1n s VAL 57 N -4.40 0.00 -0.12 0.32 0.11 -1.23 -5.00 120.40 110.09 3i1n s VAL 57 Ca -0.14 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3i1n s VAL 57 Cb 0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3i1n s VAL 57 CO 0.56 0.00 -0.12 0.54 -3.33 0.00 0.00 175.10 172.75 3i1n s VAL 58 N -0.38 3.18 -0.11 2.04 0.11 -1.26 -4.18 120.40 119.80 3i1n s VAL 58 Ca 0.07 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 3i1n s VAL 58 Cb -0.03 -2.32 -0.03 0.00 -1.53 0.00 0.00 36.38 32.46 3i1n s VAL 58 CO -0.11 0.54 0.02 0.20 -3.33 0.00 0.00 175.10 172.41 3i1n s ASN 59 N 0.11 5.35 0.16 3.54 -0.87 0.10 -4.95 114.94 118.38 3i1n s ASN 59 Ca -0.05 0.13 0.11 0.00 -1.57 0.00 0.00 52.86 51.48 3i1n s ASN 59 Cb -0.15 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 3i1n s ASN 59 CO 0.04 0.33 -0.25 0.42 -2.57 0.00 0.00 177.10 175.07 3i1n s THR 60 N -0.56 2.36 0.12 1.60 -4.23 -1.25 -3.92 115.64 109.75 3i1n s THR 60 Ca 0.10 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 3i1n s THR 60 Cb -0.12 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3i1n s THR 60 CO 0.02 -0.02 0.29 -1.48 -0.54 0.00 0.00 174.62 172.90 3i1n s LEU 61 N -2.38 0.95 -0.14 4.79 0.05 -1.20 -4.99 118.68 115.76 3i1n s LEU 61 Ca 0.18 -0.56 -0.03 0.00 0.05 0.00 0.00 54.13 53.77 3i1n s LEU 61 Cb -0.09 1.38 -0.02 0.00 -2.05 0.00 0.00 46.19 45.41 3i1n s LEU 61 CO 0.08 -0.81 -0.06 -0.69 -0.55 0.00 0.00 176.35 174.32 3i1n s VAL 62 N -3.86 3.65 -0.22 1.48 1.01 -1.26 -0.99 120.40 120.21 3i1n s VAL 62 Ca 0.06 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 3i1n s VAL 62 Cb 0.03 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3i1n s VAL 62 CO -0.10 0.51 0.41 -0.69 0.00 0.00 0.00 175.10 175.23 3i1n s VAL 63 N 0.31 5.18 0.13 2.92 1.01 0.02 -4.97 120.40 125.01 3i1n s VAL 63 Ca -0.06 0.71 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 3i1n s VAL 63 Cb -0.15 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 3i1n s VAL 63 CO 0.04 0.22 0.82 -0.54 0.00 0.00 0.00 175.10 175.63 3i1n s LYS 64 N 1.56 4.60 0.07 2.72 3.01 -1.26 -2.76 119.74 127.68 3i1n s LYS 64 Ca 0.19 1.21 -0.27 0.00 -1.01 0.00 0.00 55.97 56.09 3i1n s LYS 64 Cb -0.15 -3.31 -0.06 0.00 -1.01 0.00 0.00 37.83 33.31 3i1n s LYS 64 CO 0.08 0.44 0.84 0.20 0.51 0.00 0.00 175.35 177.42 3i1n s GLY 65 N -0.69 2.87 0.51 -3.33 0.00 -1.25 -4.98 107.32 100.45 3i1n s GLY 65 Ca 0.39 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.28 3i1n s GLY 65 CO 0.26 1.22 1.22 0.54 0.00 0.00 0.00 173.10 176.35 3i1n s LYS 66 N -0.04 3.45 0.25 2.90 1.02 -1.26 -4.34 119.74 121.72 3i1n s LYS 66 Ca 0.41 1.90 0.09 0.00 0.02 0.00 0.00 55.97 58.40 3i1n s LYS 66 Cb -0.22 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 3i1n s LYS 66 CO 0.25 -0.84 -0.02 0.14 -0.92 0.00 0.00 175.35 173.96 3i1n s VAL 67 N -1.49 3.40 0.00 3.17 -7.23 -1.26 -1.94 120.40 115.04 3i1n s VAL 67 Ca 0.68 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 3i1n s VAL 67 Cb -0.32 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.82 3i1n s VAL 67 CO 0.38 -0.34 0.00 2.29 -0.31 0.00 0.00 175.10 177.12 3i1n n LYS 68 N -0.77 0.00 0.00 4.82 0.00 -0.74 -5.00 118.16 116.47 3i1n n LYS 68 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 3i1n n LYS 68 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 3i1n n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i1n n ARG 69 N 0.00 0.00 0.00 -1.58 0.00 -1.26 -4.25 116.66 109.57 3i1n n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1n n ARG 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1n n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1n n HIS 70 N 0.00 -0.42 0.01 -0.14 8.25 -1.26 -4.71 115.22 116.94 3i1n n HIS 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1n n HIS 70 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1n n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1n n GLY 71 N 0.00 0.06 0.10 -1.41 0.00 -1.26 -4.82 105.19 97.86 3i1n n GLY 71 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i1n n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1n n GLN 72 N -2.59 0.62 -2.63 1.61 6.02 -1.26 -4.95 117.38 114.20 3i1n n GLN 72 Ca 0.00 0.19 -0.22 0.00 -0.01 0.00 0.00 57.00 56.96 3i1n n GLN 72 Cb 0.00 -1.81 0.06 0.00 1.02 0.00 0.00 30.24 29.51 3i1n n GLN 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3i1n s ARG 73 N -3.04 2.26 0.03 -1.09 1.81 -1.26 -5.13 118.95 112.53 3i1n s ARG 73 Ca -0.02 -0.91 -0.07 0.00 -1.72 0.00 0.00 55.73 53.00 3i1n s ARG 73 Cb 0.09 -2.44 -0.00 0.00 -0.45 0.00 0.00 34.95 32.15 3i1n s ARG 73 CO 0.81 -0.96 0.14 0.42 -0.68 0.00 0.00 175.30 175.03 3i1n s ILE 74 N -2.89 0.11 0.12 1.52 1.01 -1.26 -4.27 121.20 115.54 3i1n s ILE 74 Ca 0.60 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3i1n s ILE 74 Cb -0.09 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3i1n s ILE 74 CO 0.40 -0.50 -0.10 -0.83 0.00 0.00 0.00 174.94 173.91 3i1n s GLY 75 N -1.90 0.92 0.03 6.18 0.00 -1.26 -4.97 107.32 106.32 3i1n s GLY 75 Ca -0.08 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.35 3i1n s GLY 75 CO -0.03 -1.40 -0.08 -1.60 0.00 0.00 0.00 173.10 170.00 3i1n s ARG 76 N -3.23 0.54 0.31 2.90 3.52 -1.26 -1.79 118.95 119.93 3i1n s ARG 76 Ca 0.10 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 3i1n s ARG 76 Cb -0.00 -0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 32.96 3i1n s ARG 76 CO -0.00 0.09 0.49 1.03 -0.81 0.00 0.00 175.30 176.09 3i1n s ARG 77 N -1.12 3.47 0.78 5.12 0.52 -0.82 -5.01 118.95 121.89 3i1n s ARG 77 Ca -0.05 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 3i1n s ARG 77 Cb -0.07 -2.74 0.06 0.00 0.52 0.00 0.00 34.95 32.72 3i1n s ARG 77 CO 0.00 0.24 1.08 -1.12 0.02 0.00 0.00 175.30 175.53 3i1n s SER 78 N -4.02 4.55 0.25 0.23 0.01 -1.26 -4.07 113.70 109.39 3i1n s SER 78 Ca 0.38 1.56 0.01 0.00 1.31 0.00 0.00 55.95 59.21 3i1n s SER 78 Cb -0.09 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 3i1n s SER 78 CO 0.34 -1.97 0.43 -1.81 0.41 0.00 0.00 173.24 170.63 3i1n s ASP 79 N -3.65 6.35 0.16 2.44 1.01 -1.26 -3.74 116.67 117.98 3i1n s ASP 79 Ca 0.61 0.35 -0.13 0.00 0.71 0.00 0.00 52.55 54.09 3i1n s ASP 79 Cb -0.16 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.80 3i1n s ASP 79 CO 0.55 -0.12 0.38 -1.66 0.21 0.00 0.00 175.17 174.54 3i1n s TRP 80 N -2.01 0.09 0.07 4.23 1.48 -1.11 -4.98 118.94 116.70 3i1n s TRP 80 Ca 0.38 -0.44 -0.17 0.00 -1.06 0.00 0.00 56.10 54.81 3i1n s TRP 80 Cb -0.10 0.16 -0.06 0.00 -1.16 0.00 0.00 33.47 32.30 3i1n s TRP 80 CO 0.31 -0.77 0.53 0.15 -4.06 0.00 0.00 176.95 173.11 3i1n s LYS 81 N -3.89 4.09 0.03 3.25 1.02 -1.23 -0.80 119.74 122.21 3i1n s LYS 81 Ca 0.11 0.61 -0.01 0.00 0.02 0.00 0.00 55.97 56.70 3i1n s LYS 81 Cb 0.02 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3i1n s LYS 81 CO -0.04 0.62 0.18 0.21 -0.92 0.00 0.00 175.35 175.39 3i1n s LYS 82 N -1.28 3.35 0.00 1.68 2.20 -0.16 -2.03 119.74 123.50 3i1n s LYS 82 Ca 0.30 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3i1n s LYS 82 Cb -0.18 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 3i1n s LYS 82 CO 0.18 0.63 0.00 0.00 -0.36 0.00 0.00 175.35 175.80 3i1n n ALA 83 N 0.62 0.00 -2.55 3.13 0.00 -1.00 -3.21 120.51 117.50 3i1n n ALA 83 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3i1n n ALA 83 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3i1n n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1n n TYR 84 N -0.50 -4.28 -0.00 0.00 0.53 -1.20 -3.76 117.16 107.95 3i1n n TYR 84 Ca 0.00 2.44 -0.00 0.00 -1.02 0.00 0.00 57.90 59.32 3i1n n TYR 84 Cb 0.00 -3.84 -0.00 0.00 -1.03 0.00 0.00 39.34 34.47 3i1n n TYR 84 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3i1n n VAL 85 N 1.54 0.04 -1.78 -0.72 0.31 -0.20 -0.72 118.33 116.79 3i1n n VAL 85 Ca -0.38 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3i1n n VAL 85 Cb 0.58 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3i1n n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i1n n THR 86 N -2.51 -4.04 -4.05 2.52 -2.24 -1.26 -3.52 114.28 99.18 3i1n n THR 86 Ca -0.01 1.87 -0.32 0.00 -2.27 0.00 0.00 64.05 63.32 3i1n n THR 86 Cb 0.51 -2.43 -0.15 0.00 -2.10 0.00 0.00 70.33 66.16 3i1n n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i1n s LEU 87 N -1.87 3.39 0.00 3.22 1.43 -1.26 -1.67 118.68 121.93 3i1n s LEU 87 Ca 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 3i1n s LEU 87 Cb 0.00 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3i1n s LEU 87 CO 0.00 -0.20 0.00 0.29 0.23 0.00 0.00 176.35 176.67 3i1n n LYS 88 N 4.45 0.00 0.07 1.70 4.76 -1.26 -4.35 118.16 123.53 3i1n n LYS 88 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3i1n n LYS 88 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 3i1n n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i1n n GLU 89 N 0.00 0.00 -1.21 1.97 -0.58 -1.26 -4.89 120.64 114.67 3i1n n GLU 89 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 3i1n n GLU 89 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 3i1n n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1n n GLY 90 N -1.49 1.02 3.73 0.62 0.00 -1.26 -4.90 105.19 102.92 3i1n n GLY 90 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3i1n n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1n s GLN 91 N 6.61 4.26 0.00 1.61 -0.21 -1.26 -4.95 119.66 125.72 3i1n s GLN 91 Ca 0.68 2.27 0.00 0.00 0.02 0.00 0.00 55.36 58.33 3i1n s GLN 91 Cb 0.08 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3i1n s GLN 91 CO 0.21 -0.49 0.00 0.09 -2.12 0.00 0.00 175.29 172.98 3i1n n ASN 92 N 3.26 0.00 -0.25 5.90 4.13 -1.26 -5.18 115.26 121.86 3i1n n ASN 92 Ca 0.10 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.51 3i1n n ASN 92 Cb 0.40 0.00 0.73 0.00 -1.54 0.00 0.00 39.78 39.37 3i1n n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72