#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we7 s SER 2 N 0.00 6.35 -0.50 1.61 0.15 -1.26 -5.02 113.70 115.03 1we7 s SER 2 Ca 0.00 -0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 1we7 s SER 2 Cb 0.00 -2.32 0.09 0.00 -1.71 0.00 0.00 66.02 62.07 1we7 s SER 2 CO 0.00 -0.73 0.47 -0.55 1.20 0.00 0.00 173.24 173.63 1we7 s SER 3 N 1.95 6.17 -0.15 5.45 0.15 -1.26 -5.02 113.70 121.00 1we7 s SER 3 Ca 0.23 -1.40 -0.04 0.00 0.70 0.00 0.00 55.95 55.44 1we7 s SER 3 Cb -0.14 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1we7 s SER 3 CO 0.18 -0.76 0.11 -0.83 1.20 0.00 0.00 173.24 173.14 1we7 s GLY 4 N 2.93 0.26 0.63 9.45 0.00 -1.26 -5.14 107.32 114.19 1we7 s GLY 4 Ca 0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 1we7 s GLY 4 CO 0.06 1.75 1.17 -0.56 0.00 0.00 0.00 173.10 175.52 1we7 s SER 5 N 2.18 5.05 0.09 1.64 0.01 -1.26 -4.95 113.70 116.47 1we7 s SER 5 Ca 0.03 2.25 -0.31 0.00 1.31 0.00 0.00 55.95 59.24 1we7 s SER 5 Cb -0.15 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1we7 s SER 5 CO -0.08 -1.68 1.36 -0.55 0.41 0.00 0.00 173.24 172.70 1we7 s SER 6 N -1.95 6.87 0.13 2.44 0.15 -1.26 -4.71 113.70 115.36 1we7 s SER 6 Ca 0.73 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.64 1we7 s SER 6 Cb -0.27 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 1we7 s SER 6 CO 0.36 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1we7 n GLY 7 N 3.47 -0.97 0.26 9.45 0.00 -1.26 -4.87 105.19 111.26 1we7 n GLY 7 Ca 0.11 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1we7 n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1we7 h THR 8 N 0.00 0.51 -5.28 2.61 2.02 -2.01 -3.47 112.91 107.29 1we7 h THR 8 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1we7 h THR 8 Cb 0.00 0.51 0.14 0.00 -1.74 0.00 0.00 68.15 67.06 1we7 h THR 8 CO 0.00 0.00 -0.64 -0.62 0.37 0.00 0.00 175.52 174.63 1we7 n GLU 9 N -5.35 -6.54 -0.10 6.66 4.71 -1.26 -4.94 120.64 113.82 1we7 n GLU 9 Ca -0.08 0.75 -0.18 0.00 -0.01 0.00 0.00 57.16 57.64 1we7 n GLU 9 Cb 0.26 -5.51 -0.08 0.00 -1.01 0.00 0.00 31.44 25.10 1we7 n GLU 9 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1we7 n ASP 10 N -2.70 1.96 -3.42 1.62 2.03 -1.26 -4.84 116.55 109.95 1we7 n ASP 10 Ca -0.12 0.08 -0.26 0.00 0.52 0.00 0.00 54.79 55.01 1we7 n ASP 10 Cb 0.60 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.44 1we7 n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1we7 n SER 11 N -3.52 1.11 -4.70 1.67 7.64 -1.26 -5.10 113.62 109.46 1we7 n SER 11 Ca -0.38 -2.82 -0.39 0.00 1.01 0.00 0.00 58.87 56.29 1we7 n SER 11 Cb 0.83 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1we7 n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1we7 s LEU 12 N -1.08 4.25 0.18 -3.43 1.43 -1.26 -5.01 118.68 113.76 1we7 s LEU 12 Ca 0.34 0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 54.10 1we7 s LEU 12 Cb 0.09 -2.82 -0.13 0.00 0.03 0.00 0.00 46.19 43.36 1we7 s LEU 12 CO -0.13 -0.10 0.37 0.80 0.23 0.00 0.00 176.35 177.52 1we7 n MET 13 N 4.08 0.00 -0.00 1.70 1.56 -1.26 -4.93 117.12 118.26 1we7 n MET 13 Ca -0.04 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.39 1we7 n MET 13 Cb 0.51 -0.80 0.00 0.00 2.15 0.00 0.00 33.22 35.08 1we7 n MET 13 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1we7 n PRO 14 N 0.84 -1.03 -0.11 2.12 -0.04 -1.26 -4.73 135.00 130.79 1we7 n PRO 14 Ca 0.14 -0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 1we7 n PRO 14 Cb 0.22 -0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.60 1we7 n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1we7 n GLU 15 N -1.52 0.55 -0.41 0.54 2.13 -1.26 -3.28 120.64 117.39 1we7 n GLU 15 Ca 0.00 0.36 0.33 0.00 0.66 0.00 0.00 57.16 58.51 1we7 n GLU 15 Cb 0.00 -1.56 0.61 0.00 0.27 0.00 0.00 31.44 30.76 1we7 n GLU 15 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1we7 h GLU 16 N -1.00 0.15 0.20 5.31 9.09 -1.96 0.44 114.58 126.81 1we7 h GLU 16 Ca -0.37 -0.01 -0.34 0.00 0.05 0.00 0.00 59.36 58.69 1we7 h GLU 16 Cb 1.25 -0.03 0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1we7 h GLU 16 CO -0.22 0.10 -1.65 0.93 0.05 0.00 0.00 179.01 178.21 1we7 h GLU 17 N 0.15 0.42 -0.38 1.06 4.39 -1.98 -3.36 114.58 114.88 1we7 h GLU 17 Ca 0.77 -0.72 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1we7 h GLU 17 Cb 2.30 0.27 -0.08 0.00 -0.10 0.00 0.00 28.75 31.14 1we7 h GLU 17 CO -0.41 1.33 -0.51 0.35 -1.16 0.00 0.00 179.01 178.61 1we7 h PHE 18 N 0.11 -1.53 -1.13 4.33 3.04 -0.11 0.43 116.94 122.08 1we7 h PHE 18 Ca -0.31 0.08 0.32 0.00 3.98 0.00 0.00 57.97 62.04 1we7 h PHE 18 Cb 2.11 0.72 -0.05 0.00 2.56 0.00 0.00 35.95 41.29 1we7 h PHE 18 CO 0.10 -0.48 0.81 -0.07 -2.02 0.00 0.00 178.31 176.65 1we7 h LEU 19 N -0.39 0.04 -0.22 0.59 3.38 -1.55 1.17 115.31 118.32 1we7 h LEU 19 Ca 0.09 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1we7 h LEU 19 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1we7 h LEU 19 CO -0.58 0.01 -0.70 0.03 0.09 0.00 0.00 178.44 177.29 1we7 h ARG 20 N 0.03 0.00 0.00 1.13 3.08 -0.36 -3.39 114.38 114.88 1we7 h ARG 20 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.60 1we7 h ARG 20 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1we7 h ARG 20 CO -0.03 0.70 -0.30 0.54 -1.07 0.00 0.00 179.97 179.81 1we7 n ARG 21 N -3.39 0.23 -3.81 0.04 5.12 0.35 -5.01 116.66 110.19 1we7 n ARG 21 Ca 0.00 0.33 -0.21 0.00 -1.93 0.00 0.00 57.85 56.05 1we7 n ARG 21 Cb 0.77 -1.16 -0.02 0.00 -1.16 0.00 0.00 32.46 30.89 1we7 n ARG 21 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1we7 s ASN 22 N -4.67 5.83 -0.29 0.55 0.01 0.19 -5.09 114.94 111.47 1we7 s ASN 22 Ca -0.09 -0.20 -0.16 0.00 -0.71 0.00 0.00 52.86 51.71 1we7 s ASN 22 Cb 0.01 -1.38 0.15 0.00 0.41 0.00 0.00 41.25 40.44 1we7 s ASN 22 CO 0.13 -0.24 0.98 -1.59 -1.51 0.00 0.00 177.10 174.87 1we7 s LYS 23 N -4.01 0.37 0.00 -0.60 0.00 -1.26 -3.96 119.74 110.27 1we7 s LYS 23 Ca 0.39 0.64 0.00 0.00 0.00 0.00 0.00 55.97 57.00 1we7 s LYS 23 Cb -0.08 0.08 0.00 0.00 0.00 0.00 0.00 37.83 37.83 1we7 s LYS 23 CO 0.28 -0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.96 1we7 n GLY 24 N 3.72 -3.15 3.77 0.59 0.00 -1.26 -4.83 105.19 104.02 1we7 n GLY 24 Ca -0.18 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1we7 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1we7 s PRO 25 N -1.74 4.13 -0.08 1.61 0.04 -1.26 -4.95 135.00 132.75 1we7 s PRO 25 Ca 0.00 1.92 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1we7 s PRO 25 Cb 0.00 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1we7 s PRO 25 CO 0.00 -0.28 -0.14 0.14 0.04 0.00 0.00 177.00 176.76 1we7 s VAL 26 N -1.34 3.02 -0.47 -0.36 -7.23 -1.09 -4.88 120.40 108.06 1we7 s VAL 26 Ca 0.55 -0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 1we7 s VAL 26 Cb -0.33 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.46 1we7 s VAL 26 CO 0.42 0.56 0.41 -0.55 -0.31 0.00 0.00 175.10 175.63 1we7 s SER 27 N -0.26 6.15 -0.02 4.85 0.15 -1.26 -2.50 113.70 120.81 1we7 s SER 27 Ca 0.02 -1.19 -0.01 0.00 0.70 0.00 0.00 55.95 55.47 1we7 s SER 27 Cb -0.13 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1we7 s SER 27 CO 0.03 -0.64 0.08 0.27 1.20 0.00 0.00 173.24 174.17 1we7 s ILE 28 N 1.78 4.74 -0.26 6.45 -4.36 -1.20 -1.80 121.20 126.55 1we7 s ILE 28 Ca 0.06 -0.37 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 1we7 s ILE 28 Cb -0.23 -3.15 -0.01 0.00 1.25 0.00 0.00 42.46 40.33 1we7 s ILE 28 CO 0.08 0.38 0.04 -0.75 0.24 0.00 0.00 174.94 174.93 1we7 s LYS 29 N -1.64 3.33 -0.48 0.37 2.20 -0.10 -2.50 119.74 120.92 1we7 s LYS 29 Ca 0.22 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 54.93 1we7 s LYS 29 Cb -0.12 -3.25 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1we7 s LYS 29 CO 0.13 -0.30 0.68 0.08 -0.36 0.00 0.00 175.35 175.58 1we7 s VAL 30 N 1.52 4.78 -0.57 4.02 1.01 0.10 0.12 120.40 131.38 1we7 s VAL 30 Ca 0.04 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1we7 s VAL 30 Cb -0.16 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 1we7 s VAL 30 CO 0.01 -0.74 1.64 -1.58 0.00 0.00 0.00 175.10 174.43 1we7 s GLN 31 N 2.92 3.02 -0.47 2.72 -0.44 -0.17 -1.41 119.66 125.83 1we7 s GLN 31 Ca 0.21 0.59 -0.19 0.00 -2.50 0.00 0.00 55.36 53.48 1we7 s GLN 31 Cb -0.15 -4.25 0.04 0.00 -1.64 0.00 0.00 33.01 27.01 1we7 s GLN 31 CO 0.17 -2.27 0.56 0.08 0.50 0.00 0.00 175.29 174.33 1we7 s VAL 32 N 7.37 4.95 1.05 1.34 1.01 -0.27 -2.66 120.40 133.18 1we7 s VAL 32 Ca 0.61 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1we7 s VAL 32 Cb -0.13 -4.20 0.21 0.00 0.00 0.00 0.00 36.38 32.27 1we7 s VAL 32 CO 0.24 -0.64 1.10 -2.16 0.00 0.00 0.00 175.10 173.63 1we7 s PRO 33 N 2.46 0.05 -0.31 2.72 0.04 -1.26 -1.35 135.00 137.35 1we7 s PRO 33 Ca 0.15 0.39 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1we7 s PRO 33 Cb -0.18 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1we7 s PRO 33 CO 0.13 -2.96 0.07 1.21 0.04 0.00 0.00 177.00 175.49 1we7 s ASN 34 N -3.53 5.09 -0.37 6.66 2.47 -1.26 -3.47 114.94 120.52 1we7 s ASN 34 Ca 0.66 -0.91 -0.05 0.00 0.42 0.00 0.00 52.86 52.99 1we7 s ASN 34 Cb -0.17 -1.84 0.08 0.00 -1.45 0.00 0.00 41.25 37.86 1we7 s ASN 34 CO 0.57 -0.23 0.15 -0.04 -3.72 0.00 0.00 177.10 173.83 1we7 s MET 35 N 1.43 2.35 0.00 0.43 -1.94 -1.09 -4.88 119.30 115.61 1we7 s MET 35 Ca 0.00 -1.50 0.25 0.00 -1.71 0.00 0.00 55.69 52.74 1we7 s MET 35 Cb -0.18 -3.51 0.50 0.00 2.01 0.00 0.00 34.83 33.66 1we7 s MET 35 CO 0.02 -0.87 1.44 0.94 -0.01 0.00 0.00 175.02 176.54 1we7 n GLN 36 N 4.71 2.09 -0.99 2.03 -0.06 -1.26 -4.46 117.38 119.44 1we7 n GLN 36 Ca -0.08 -1.58 -0.40 0.00 -2.00 0.00 0.00 57.00 52.94 1we7 n GLN 36 Cb 0.43 -1.47 -0.06 0.00 -4.06 0.00 0.00 30.24 25.08 1we7 n GLN 36 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1we7 n ASP 37 N 0.92 2.54 -3.74 1.69 2.03 -1.26 -4.45 116.55 114.27 1we7 n ASP 37 Ca 0.16 -2.60 -0.23 0.00 0.52 0.00 0.00 54.79 52.65 1we7 n ASP 37 Cb 0.51 -1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 1we7 n ASP 37 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1we7 n LYS 38 N 6.74 -0.76 -4.04 -0.67 3.00 -1.26 -4.88 118.16 116.29 1we7 n LYS 38 Ca 0.47 -0.07 -0.35 0.00 -0.00 0.00 0.00 58.31 58.36 1we7 n LYS 38 Cb 0.36 -1.53 -0.07 0.00 0.00 0.00 0.00 35.03 33.80 1we7 n LYS 38 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1we7 s THR 39 N -3.98 5.07 -0.28 3.15 -1.32 -1.26 -5.00 115.64 112.03 1we7 s THR 39 Ca 0.14 -0.07 -0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1we7 s THR 39 Cb -0.08 -3.24 0.23 0.00 -1.51 0.00 0.00 72.50 67.90 1we7 s THR 39 CO 0.57 0.52 1.86 -1.84 -2.21 0.00 0.00 174.62 173.52 1we7 n GLU 40 N 1.69 1.72 -4.37 7.08 0.28 -1.26 -4.88 120.64 120.91 1we7 n GLU 40 Ca -0.17 -1.47 -0.26 0.00 -0.16 0.00 0.00 57.16 55.10 1we7 n GLU 40 Cb 0.54 -1.58 -0.12 0.00 1.43 0.00 0.00 31.44 31.71 1we7 n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1we7 s TRP 41 N -1.69 2.13 -1.59 -1.84 0.51 -1.26 -4.71 118.94 110.49 1we7 s TRP 41 Ca 0.29 -0.39 -0.10 0.00 -2.12 0.00 0.00 56.10 53.77 1we7 s TRP 41 Cb 0.23 -1.12 -0.06 0.00 -0.81 0.00 0.00 33.47 31.71 1we7 s TRP 41 CO 0.01 0.36 2.84 1.63 -0.51 0.00 0.00 176.95 181.28 1we7 n LYS 42 N 0.68 3.68 -3.47 4.98 4.76 -1.26 -4.85 118.16 122.69 1we7 n LYS 42 Ca -0.16 -2.34 -0.43 0.00 -2.87 0.00 0.00 58.31 52.51 1we7 n LYS 42 Cb 0.54 -2.84 -0.07 0.00 -1.84 0.00 0.00 35.03 30.83 1we7 n LYS 42 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1we7 s LEU 43 N 0.21 5.92 -0.36 -0.35 1.43 -1.26 -4.79 118.68 119.48 1we7 s LEU 43 Ca 0.66 -1.99 0.14 0.00 -1.03 0.00 0.00 54.13 51.91 1we7 s LEU 43 Cb 0.18 -2.08 0.45 0.00 0.03 0.00 0.00 46.19 44.76 1we7 s LEU 43 CO -0.06 -0.72 1.01 -3.20 0.23 0.00 0.00 176.35 173.60 1we7 n ASN 44 N 4.86 2.54 -3.09 2.29 5.15 -1.25 -2.66 115.26 123.11 1we7 n ASN 44 Ca -0.07 -3.03 -0.06 0.00 -0.60 0.00 0.00 54.58 50.82 1we7 n ASN 44 Cb 0.41 -0.50 0.01 0.00 -0.53 0.00 0.00 39.78 39.16 1we7 n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1we7 n GLY 45 N -0.22 -1.22 3.65 8.20 0.00 -1.23 -4.90 105.19 109.47 1we7 n GLY 45 Ca 0.19 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 1we7 n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1we7 s GLN 46 N -1.49 1.81 -0.10 1.61 -2.07 -0.46 -4.99 119.66 113.97 1we7 s GLN 46 Ca 0.07 -1.37 0.02 0.00 -1.82 0.00 0.00 55.36 52.27 1we7 s GLN 46 Cb -0.01 0.52 0.01 0.00 -1.09 0.00 0.00 33.01 32.44 1we7 s GLN 46 CO 0.39 -0.79 -0.15 0.20 -1.32 0.00 0.00 175.29 173.62 1we7 s GLY 47 N -3.06 1.01 -0.30 2.60 0.00 -1.26 -1.12 107.32 105.19 1we7 s GLY 47 Ca 0.21 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 1we7 s GLY 47 CO 0.12 0.15 0.06 1.08 0.00 0.00 0.00 173.10 174.51 1we7 s LEU 48 N 0.85 3.88 -0.06 0.66 1.43 -0.50 -4.92 118.68 120.02 1we7 s LEU 48 Ca -0.10 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1we7 s LEU 48 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1we7 s LEU 48 CO 0.01 -0.22 0.05 -0.69 0.23 0.00 0.00 176.35 175.72 1we7 s VAL 49 N 1.43 4.62 -0.10 -1.59 1.01 -1.26 0.01 120.40 124.52 1we7 s VAL 49 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1we7 s VAL 49 Cb -0.18 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1we7 s VAL 49 CO 0.01 0.50 0.20 -0.36 0.00 0.00 0.00 175.10 175.46 1we7 s PHE 50 N -1.03 -0.28 -0.39 5.22 0.08 -1.04 -5.01 117.98 115.54 1we7 s PHE 50 Ca 0.17 0.72 -0.17 0.00 0.12 0.00 0.00 56.93 57.78 1we7 s PHE 50 Cb -0.12 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1we7 s PHE 50 CO 0.07 -0.26 0.42 0.99 -0.10 0.00 0.00 175.22 176.34 1we7 s THR 51 N 1.83 5.10 -0.02 0.64 2.01 -1.26 -3.24 115.64 120.70 1we7 s THR 51 Ca -0.03 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1we7 s THR 51 Cb -0.12 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1we7 s THR 51 CO -0.07 -0.29 0.12 -0.76 -0.69 0.00 0.00 174.62 172.93 1we7 s LEU 52 N 2.13 1.59 0.98 4.42 1.02 -1.04 -4.88 118.68 122.90 1we7 s LEU 52 Ca 0.13 0.01 -0.12 0.00 0.02 0.00 0.00 54.13 54.17 1we7 s LEU 52 Cb -0.17 0.50 0.18 0.00 0.02 0.00 0.00 46.19 46.72 1we7 s LEU 52 CO 0.13 -0.19 1.09 -2.16 0.02 0.00 0.00 176.35 175.24 1we7 s PRO 53 N -0.63 0.60 -1.12 1.29 0.04 -1.26 -2.67 135.00 131.25 1we7 s PRO 53 Ca -0.07 0.59 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 1we7 s PRO 53 Cb -0.04 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.86 1we7 s PRO 53 CO 0.01 -2.63 1.42 -0.51 0.04 0.00 0.00 177.00 175.32 1we7 s LEU 54 N -6.41 4.50 0.00 -3.56 2.01 -1.26 -4.62 118.68 109.33 1we7 s LEU 54 Ca 0.65 -2.33 0.00 0.00 0.01 0.00 0.00 54.13 52.46 1we7 s LEU 54 Cb -0.18 -2.47 0.00 0.00 0.01 0.00 0.00 46.19 43.54 1we7 s LEU 54 CO 0.57 -1.07 0.00 0.35 1.01 0.00 0.00 176.35 177.22 1we7 n THR 55 N 5.67 0.00 -1.04 5.49 -2.24 -1.26 -4.91 114.28 115.98 1we7 n THR 55 Ca 0.35 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.95 1we7 n THR 55 Cb 0.47 -0.47 0.15 0.00 -2.10 0.00 0.00 70.33 68.37 1we7 n THR 55 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1we7 n ASP 56 N -1.80 -1.19 -4.93 3.42 9.92 -1.26 -4.94 116.55 115.76 1we7 n ASP 56 Ca 0.00 -1.02 -0.21 0.00 -0.53 0.00 0.00 54.79 53.04 1we7 n ASP 56 Cb 0.00 -0.62 0.07 0.00 -0.64 0.00 0.00 41.12 39.93 1we7 n ASP 56 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1we7 s GLN 57 N -4.60 2.17 0.58 -1.24 -0.21 -1.26 -4.21 119.66 110.89 1we7 s GLN 57 Ca 0.44 -1.45 0.29 0.00 0.02 0.00 0.00 55.36 54.67 1we7 s GLN 57 Cb -0.03 -2.56 1.41 0.00 1.00 0.00 0.00 33.01 32.82 1we7 s GLN 57 CO 0.33 -0.98 1.80 0.28 -2.12 0.00 0.00 175.29 174.60 1we7 h VAL 58 N 0.01 0.32 -0.69 1.09 2.07 -1.55 -1.53 116.25 115.97 1we7 h VAL 58 Ca -0.33 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.33 1we7 h VAL 58 Cb 1.28 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 1we7 h VAL 58 CO 0.41 0.00 -0.19 0.77 0.02 0.00 0.00 177.57 178.58 1we7 h SER 59 N 0.00 -0.69 -0.07 0.57 4.64 -1.83 0.98 113.55 117.15 1we7 h SER 59 Ca 0.30 0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.85 1we7 h SER 59 Cb 1.56 0.44 -0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1we7 h SER 59 CO -0.00 -0.24 0.09 -0.37 -0.87 0.00 0.00 176.83 175.44 1we7 h VAL 60 N -0.01 0.43 -0.03 0.95 -1.51 -1.62 -0.19 116.25 114.26 1we7 h VAL 60 Ca 0.33 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.68 1we7 h VAL 60 Cb 0.52 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 1we7 h VAL 60 CO -0.72 0.00 -0.53 0.40 -1.23 0.00 0.00 177.57 175.49 1we7 h ILE 61 N 0.00 1.37 0.22 7.19 1.08 0.86 -3.23 117.51 125.00 1we7 h ILE 61 Ca 0.03 -1.81 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 1we7 h ILE 61 Cb 0.21 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1we7 h ILE 61 CO -0.00 0.52 -0.11 0.11 -0.69 0.00 0.00 178.15 177.99 1we7 h LYS 62 N 0.07 -0.29 -1.73 2.37 1.57 -0.76 -3.21 116.57 114.59 1we7 h LYS 62 Ca -0.00 0.02 0.51 0.00 -1.87 0.00 0.00 60.65 59.31 1we7 h LYS 62 Cb 0.96 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.25 1we7 h LYS 62 CO 0.07 0.04 1.23 -0.24 -0.57 0.00 0.00 179.45 179.98 1we7 h VAL 63 N -0.96 0.09 -0.28 0.50 3.04 -1.58 1.29 116.25 118.35 1we7 h VAL 63 Ca -0.03 -0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.51 1we7 h VAL 63 Cb 0.46 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 1we7 h VAL 63 CO 0.05 0.00 -0.40 0.11 -1.01 0.00 0.00 177.57 176.32 1we7 h LYS 64 N 0.01 0.77 0.59 4.17 1.79 -1.57 -2.04 116.57 120.28 1we7 h LYS 64 Ca 0.86 -0.45 -0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1we7 h LYS 64 Cb 3.32 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 34.01 1we7 h LYS 64 CO -0.09 1.08 -0.28 0.82 -1.08 0.00 0.00 179.45 179.90 1we7 h ILE 65 N 0.52 0.37 -0.79 1.86 2.04 0.16 -2.90 117.51 118.78 1we7 h ILE 65 Ca 0.03 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1we7 h ILE 65 Cb 0.99 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1we7 h ILE 65 CO 0.09 0.03 0.51 -0.74 0.00 0.00 0.00 178.15 178.05 1we7 h HIS 66 N -0.93 0.78 -0.96 1.37 2.76 -1.51 0.54 115.15 117.21 1we7 h HIS 66 Ca -0.08 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1we7 h HIS 66 Cb 0.65 -0.25 -0.07 0.00 1.55 0.00 0.00 27.41 29.28 1we7 h HIS 66 CO -0.01 0.38 0.61 0.93 -1.30 0.00 0.00 177.93 178.54 1we7 h GLU 67 N 0.74 0.95 0.00 5.26 4.39 -1.20 -3.28 114.58 121.44 1we7 h GLU 67 Ca 0.36 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1we7 h GLU 67 Cb 0.41 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1we7 h GLU 67 CO -0.13 0.63 -0.70 0.00 -1.16 0.00 0.00 179.01 177.64 1we7 n ALA 68 N -2.38 0.58 -2.34 3.43 0.00 -0.44 -4.98 120.51 114.39 1we7 n ALA 68 Ca 0.17 -0.53 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 1we7 n ALA 68 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 1we7 n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1we7 s THR 69 N -2.42 4.92 -0.05 0.00 -4.23 0.18 -4.96 115.64 109.08 1we7 s THR 69 Ca -0.19 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1we7 s THR 69 Cb 0.03 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 70.14 1we7 s THR 69 CO 0.29 -0.62 1.14 0.61 -0.54 0.00 0.00 174.62 175.50 1we7 n GLY 70 N -1.68 2.31 3.77 3.99 0.00 -1.26 -4.03 105.19 108.29 1we7 n GLY 70 Ca -0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1we7 n GLY 70 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1we7 s MET 71 N -0.38 4.00 0.75 1.61 -2.45 -1.26 -4.47 119.30 117.10 1we7 s MET 71 Ca 0.07 -0.09 -0.12 0.00 -1.25 0.00 0.00 55.69 54.30 1we7 s MET 71 Cb 0.05 -3.35 0.04 0.00 1.25 0.00 0.00 34.83 32.83 1we7 s MET 71 CO 0.01 0.43 1.10 -1.25 1.05 0.00 0.00 175.02 176.35 1we7 s PRO 72 N -0.04 2.37 -0.25 4.11 0.04 -1.26 -3.71 135.00 136.26 1we7 s PRO 72 Ca 0.13 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 1we7 s PRO 72 Cb -0.12 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.65 1we7 s PRO 72 CO 0.02 -1.56 2.14 0.00 0.04 0.00 0.00 177.00 177.63 1we7 n ALA 73 N -3.27 5.04 0.17 8.56 0.00 -1.26 -4.06 120.51 125.69 1we7 n ALA 73 Ca 0.09 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1we7 n ALA 73 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1we7 n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1we7 n GLY 74 N 0.71 -0.64 0.23 0.00 0.00 -1.26 -4.92 105.19 99.32 1we7 n GLY 74 Ca 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.35 1we7 n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1we7 h LYS 75 N 0.00 0.41 -6.56 1.61 1.79 -1.99 -3.41 116.57 108.42 1we7 h LYS 75 Ca 0.00 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.92 1we7 h LYS 75 Cb 0.00 -0.09 0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1we7 h LYS 75 CO 0.00 0.27 0.74 1.14 -1.08 0.00 0.00 179.45 180.52 1we7 s GLN 76 N -6.10 4.31 -0.25 3.15 -2.07 -1.26 -2.88 119.66 114.57 1we7 s GLN 76 Ca -0.13 2.11 -0.06 0.00 -1.82 0.00 0.00 55.36 55.46 1we7 s GLN 76 Cb 0.17 -3.23 -0.02 0.00 -1.09 0.00 0.00 33.01 28.84 1we7 s GLN 76 CO 0.74 -0.44 0.04 0.21 -1.32 0.00 0.00 175.29 174.52 1we7 s LYS 77 N 1.00 3.48 -0.10 9.60 2.20 -0.15 -4.94 119.74 130.83 1we7 s LYS 77 Ca 0.64 -0.59 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 1we7 s LYS 77 Cb -0.38 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1we7 s LYS 77 CO 0.31 -0.24 0.92 -0.51 -0.36 0.00 0.00 175.35 175.47 1we7 s LEU 78 N 1.56 4.25 -0.08 5.43 1.43 -1.26 -1.63 118.68 128.38 1we7 s LEU 78 Ca 0.06 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1we7 s LEU 78 Cb -0.15 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 1we7 s LEU 78 CO 0.01 -0.36 -0.22 -1.58 0.23 0.00 0.00 176.35 174.43 1we7 s GLN 79 N 1.75 2.56 -0.04 1.70 0.74 -0.02 -3.42 119.66 122.92 1we7 s GLN 79 Ca 0.45 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 55.08 1we7 s GLN 79 Cb -0.18 -2.04 0.02 0.00 1.10 0.00 0.00 33.01 31.91 1we7 s GLN 79 CO 0.18 0.22 -0.06 -0.47 -0.55 0.00 0.00 175.29 174.62 1we7 s TYR 80 N 0.20 0.80 -1.63 1.67 5.04 -0.68 -1.03 117.35 121.72 1we7 s TYR 80 Ca -0.12 -0.22 -0.13 0.00 -2.44 0.00 0.00 57.07 54.16 1we7 s TYR 80 Cb -0.16 -0.67 0.11 0.00 0.35 0.00 0.00 41.96 41.60 1we7 s TYR 80 CO 0.06 -0.17 0.62 0.39 -1.34 0.00 0.00 175.55 175.11 1we7 n GLU 81 N 3.88 -2.89 -2.76 4.97 -0.58 -1.26 0.31 120.64 122.31 1we7 n GLU 81 Ca -0.24 0.34 -0.16 0.00 -0.42 0.00 0.00 57.16 56.68 1we7 n GLU 81 Cb 0.52 -4.81 0.02 0.00 -0.57 0.00 0.00 31.44 26.59 1we7 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1we7 n GLY 82 N -1.62 -0.19 3.28 0.62 0.00 -1.26 -4.80 105.19 101.22 1we7 n GLY 82 Ca -0.05 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1we7 n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1we7 s ILE 83 N -2.98 1.65 -0.79 -0.61 1.01 0.15 -5.00 121.20 114.62 1we7 s ILE 83 Ca 0.20 -1.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.18 1we7 s ILE 83 Cb -0.09 -1.59 0.25 0.00 0.01 0.00 0.00 42.46 41.04 1we7 s ILE 83 CO 0.25 -0.18 2.24 0.49 0.00 0.00 0.00 174.94 177.73 1we7 n PHE 84 N 0.82 2.54 -1.48 3.97 3.72 -1.26 -1.68 117.46 124.09 1we7 n PHE 84 Ca -0.17 -2.28 -0.52 0.00 -0.05 0.00 0.00 57.45 54.43 1we7 n PHE 84 Cb 0.55 -1.29 -0.05 0.00 -0.94 0.00 0.00 39.48 37.75 1we7 n PHE 84 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1we7 n ILE 85 N 0.07 1.04 -4.24 4.37 -5.35 -1.22 -4.96 119.36 109.07 1we7 n ILE 85 Ca 0.52 -0.26 -0.29 0.00 -0.27 0.00 0.00 62.75 62.45 1we7 n ILE 85 Cb 0.32 -0.19 -0.10 0.00 -1.74 0.00 0.00 39.64 37.94 1we7 n ILE 85 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1we7 s LYS 86 N -0.52 2.10 0.42 6.28 1.02 -1.26 -4.55 119.74 123.21 1we7 s LYS 86 Ca 0.76 -1.10 0.19 0.00 0.02 0.00 0.00 55.97 55.84 1we7 s LYS 86 Cb -1.04 -2.26 1.13 0.00 -0.52 0.00 0.00 37.83 35.15 1we7 s LYS 86 CO 0.56 0.48 1.80 0.38 -0.92 0.00 0.00 175.35 177.65 1we7 h ASP 87 N 3.40 0.40 0.41 2.83 3.04 -1.93 0.65 116.42 125.23 1we7 h ASP 87 Ca -0.48 0.06 -0.06 0.00 -3.24 0.00 0.00 57.03 53.31 1we7 h ASP 87 Cb 1.18 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 1we7 h ASP 87 CO 0.52 0.11 -0.28 0.28 -2.04 0.00 0.00 179.24 177.83 1we7 h SER 88 N 0.37 0.00 -3.47 4.15 0.02 -1.97 -3.19 113.55 109.47 1we7 h SER 88 Ca 0.55 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.97 1we7 h SER 88 Cb 1.45 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1we7 h SER 88 CO -0.24 0.28 0.31 0.20 -1.14 0.00 0.00 176.83 176.25 1we7 s ASN 89 N -6.67 7.36 0.52 3.07 0.01 0.23 -4.93 114.94 114.53 1we7 s ASN 89 Ca -0.03 1.64 -0.11 0.00 -0.71 0.00 0.00 52.86 53.66 1we7 s ASN 89 Cb 0.14 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1we7 s ASN 89 CO 0.68 -0.14 0.91 -0.55 -1.51 0.00 0.00 177.10 176.50 1we7 s SER 90 N 0.46 6.39 0.07 -1.22 0.15 -1.26 -2.43 113.70 115.86 1we7 s SER 90 Ca 0.47 1.29 -0.17 0.00 0.70 0.00 0.00 55.95 58.24 1we7 s SER 90 Cb -0.22 -2.40 -0.13 0.00 -1.71 0.00 0.00 66.02 61.56 1we7 s SER 90 CO 0.27 -0.65 1.33 -0.07 1.20 0.00 0.00 173.24 175.33 1we7 h LEU 91 N 0.40 0.66 -1.58 3.45 4.07 -1.89 -3.09 115.31 117.33 1we7 h LEU 91 Ca -0.46 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 56.95 1we7 h LEU 91 Cb 1.19 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1we7 h LEU 91 CO 0.62 1.08 0.19 0.00 -1.08 0.00 0.00 178.44 179.25 1we7 h ALA 92 N 0.60 1.68 -0.60 1.53 0.00 -1.91 -2.28 119.26 118.28 1we7 h ALA 92 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1we7 h ALA 92 Cb 0.97 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1we7 h ALA 92 CO 0.08 0.27 0.17 -0.92 0.00 0.00 0.00 179.25 178.85 1we7 h TYR 93 N 0.48 0.99 0.00 0.00 5.03 -1.79 -1.81 116.97 119.86 1we7 h TYR 93 Ca 0.12 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1we7 h TYR 93 Cb 0.02 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1we7 h TYR 93 CO 0.00 0.83 0.00 0.66 -1.32 0.00 0.00 178.16 178.33 1we7 n TYR 94 N -4.38 0.00 -3.03 -3.82 4.01 -0.88 -4.58 117.16 104.49 1we7 n TYR 94 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1we7 n TYR 94 Cb 0.22 -0.33 0.05 0.00 -0.31 0.00 0.00 39.34 38.97 1we7 n TYR 94 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1we7 n ASN 95 N -1.33 -3.68 -4.79 7.72 5.03 -0.68 -5.00 115.26 112.52 1we7 n ASN 95 Ca 0.08 -0.33 -0.32 0.00 0.87 0.00 0.00 54.58 54.88 1we7 n ASN 95 Cb 0.17 -3.15 0.04 0.00 -1.02 0.00 0.00 39.78 35.82 1we7 n ASN 95 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1we7 s MET 96 N -5.43 2.91 0.11 3.52 -1.94 -1.08 -5.06 119.30 112.33 1we7 s MET 96 Ca 0.22 1.20 0.01 0.00 -1.71 0.00 0.00 55.69 55.42 1we7 s MET 96 Cb -0.10 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1we7 s MET 96 CO 0.42 -1.14 -0.04 0.00 -0.01 0.00 0.00 175.02 174.25 1we7 s ALA 97 N -2.62 1.00 0.94 3.03 0.00 -1.26 -4.92 121.76 117.93 1we7 s ALA 97 Ca 0.63 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1we7 s ALA 97 Cb -0.17 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1we7 s ALA 97 CO 0.45 -0.29 0.53 -1.13 0.00 0.00 0.00 175.76 175.33 1we7 n SER 98 N -0.07 -1.67 -3.19 0.00 3.41 -1.26 -3.37 113.62 107.47 1we7 n SER 98 Ca -0.11 0.35 -0.21 0.00 -0.26 0.00 0.00 58.87 58.65 1we7 n SER 98 Cb 0.62 -1.25 0.07 0.00 -0.26 0.00 0.00 64.21 63.38 1we7 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1we7 n GLY 99 N 1.30 -0.35 3.98 5.00 0.00 -1.04 -4.87 105.19 109.21 1we7 n GLY 99 Ca 0.08 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1we7 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1we7 s ALA 100 N -3.28 3.96 -0.13 4.61 0.00 -0.75 -4.98 121.76 121.19 1we7 s ALA 100 Ca 0.50 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1we7 s ALA 100 Cb -0.22 -1.99 0.05 0.00 0.00 0.00 0.00 23.12 20.96 1we7 s ALA 100 CO 0.63 -0.86 0.10 0.54 0.00 0.00 0.00 175.76 176.18 1we7 s VAL 101 N -2.80 -0.14 -0.46 0.00 0.11 -1.26 -0.92 120.40 114.93 1we7 s VAL 101 Ca 0.59 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 59.52 1we7 s VAL 101 Cb -0.09 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1we7 s VAL 101 CO 0.39 -0.09 0.63 -0.63 -3.33 0.00 0.00 175.10 172.07 1we7 s ILE 102 N 2.19 4.84 -0.08 7.04 -1.09 0.32 -4.70 121.20 129.72 1we7 s ILE 102 Ca 0.04 -0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1we7 s ILE 102 Cb -0.14 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1we7 s ILE 102 CO -0.07 -0.65 0.98 -1.00 -1.23 0.00 0.00 174.94 172.97 1we7 s HIS 103 N 2.76 3.55 0.07 3.97 3.76 -0.20 -1.00 115.29 128.19 1we7 s HIS 103 Ca 0.20 1.59 -0.16 0.00 -0.15 0.00 0.00 55.06 56.54 1we7 s HIS 103 Cb -0.15 -3.15 -0.06 0.00 1.11 0.00 0.00 32.58 30.33 1we7 s HIS 103 CO 0.17 -0.15 0.50 -1.17 -0.85 0.00 0.00 174.74 173.24 1we7 s LEU 104 N 1.69 4.46 -0.05 0.89 2.96 -1.09 -0.84 118.68 126.70 1we7 s LEU 104 Ca 0.48 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1we7 s LEU 104 Cb -0.19 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.65 1we7 s LEU 104 CO 0.21 0.25 0.10 0.00 -1.32 0.00 0.00 176.35 175.58 1we7 s ALA 105 N -1.19 -0.16 0.14 5.97 0.00 -0.65 -4.79 121.76 121.08 1we7 s ALA 105 Ca 0.29 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 1we7 s ALA 105 Cb -0.17 -0.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1we7 s ALA 105 CO 0.17 -0.12 1.24 -1.17 0.00 0.00 0.00 175.76 175.88 1we7 s LEU 106 N 0.90 4.41 0.10 0.00 0.20 -1.26 -0.97 118.68 122.06 1we7 s LEU 106 Ca -0.07 2.20 -0.30 0.00 0.69 0.00 0.00 54.13 56.64 1we7 s LEU 106 Cb -0.10 -3.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.01 1we7 s LEU 106 CO -0.04 -0.46 0.96 -0.75 -0.29 0.00 0.00 176.35 175.78 1we7 s LYS 107 N 0.37 4.68 -1.18 1.98 2.20 -1.14 -4.89 119.74 121.77 1we7 s LYS 107 Ca 0.57 1.45 -0.21 0.00 -0.36 0.00 0.00 55.97 57.42 1we7 s LYS 107 Cb -0.33 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1we7 s LYS 107 CO 0.33 0.19 1.70 -2.00 -0.36 0.00 0.00 175.35 175.21 1we7 s GLU 108 N 0.10 3.58 -0.06 4.03 2.56 -1.26 -4.92 118.70 122.72 1we7 s GLU 108 Ca 0.47 -1.52 0.02 0.00 0.00 0.00 0.00 54.97 53.95 1we7 s GLU 108 Cb -0.23 -5.42 0.02 0.00 2.00 0.00 0.00 34.13 30.50 1we7 s GLU 108 CO 0.30 -2.55 -0.10 1.03 -0.56 0.00 0.00 175.26 173.37 1we7 s ARG 109 N 4.94 1.49 0.29 4.30 0.52 -1.26 -5.14 118.95 124.09 1we7 s ARG 109 Ca 0.55 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.34 1we7 s ARG 109 Cb 0.01 -1.27 0.00 0.00 0.52 0.00 0.00 34.95 34.22 1we7 s ARG 109 CO 0.03 -0.00 0.48 -1.12 0.02 0.00 0.00 175.30 174.71 1we7 s SER 110 N 0.73 0.33 -0.41 0.23 0.01 -1.26 -5.03 113.70 108.30 1we7 s SER 110 Ca -0.14 -1.20 -0.28 0.00 1.31 0.00 0.00 55.95 55.65 1we7 s SER 110 Cb -0.15 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.74 1we7 s SER 110 CO 0.03 -1.23 0.58 0.61 0.41 0.00 0.00 173.24 173.64 1we7 n GLY 111 N -0.46 -0.53 0.00 3.44 0.00 -1.26 -4.82 105.19 101.57 1we7 n GLY 111 Ca -0.01 1.11 0.07 0.00 0.00 0.00 0.00 46.02 47.19 1we7 n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1we7 n PRO 112 N -0.10 0.08 -3.75 1.61 -0.04 -1.26 -4.87 135.00 126.67 1we7 n PRO 112 Ca -0.01 0.21 -0.26 0.00 -0.04 0.00 0.00 63.50 63.40 1we7 n PRO 112 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1we7 n PRO 112 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1we7 n SER 113 N -1.41 -4.61 -0.08 3.54 7.64 -1.26 -4.88 113.62 112.55 1we7 n SER 113 Ca 0.05 -0.70 -0.07 0.00 1.01 0.00 0.00 58.87 59.16 1we7 n SER 113 Cb 0.15 -4.36 -0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1we7 n SER 113 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1we7 h SER 114 N -2.24 -0.16 0.00 6.43 0.87 -2.02 -3.57 113.55 112.86 1we7 h SER 114 Ca -0.58 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1we7 h SER 114 Cb 1.37 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1we7 h SER 114 CO 0.61 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 177.47