#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d88 s SER 2 N 0.00 5.23 -0.51 1.61 0.01 -1.26 -4.97 113.70 113.81 2d88 s SER 2 Ca 0.00 -0.34 -0.27 0.00 1.31 0.00 0.00 55.95 56.64 2d88 s SER 2 Cb 0.00 -0.47 -0.09 0.00 0.21 0.00 0.00 66.02 65.67 2d88 s SER 2 CO 0.00 -1.16 2.42 -1.54 0.41 0.00 0.00 173.24 173.37 2d88 n SER 3 N -2.24 2.17 0.00 2.44 3.41 -1.26 -4.66 113.62 113.48 2d88 n SER 3 Ca 0.10 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2d88 n SER 3 Cb 0.60 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2d88 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d88 n GLY 4 N 6.08 1.06 2.99 5.00 0.00 -1.26 -4.77 105.19 114.29 2d88 n GLY 4 Ca 0.40 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2d88 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d88 s SER 5 N -4.00 1.26 0.05 1.61 1.04 -1.26 -5.06 113.70 107.34 2d88 s SER 5 Ca 0.00 -0.20 -0.32 0.00 0.48 0.00 0.00 55.95 55.91 2d88 s SER 5 Cb 0.00 -0.43 -0.18 0.00 0.10 0.00 0.00 66.02 65.51 2d88 s SER 5 CO 0.00 0.04 1.45 -1.28 0.98 0.00 0.00 173.24 174.43 2d88 h SER 6 N 6.61 -0.99 0.00 7.02 0.87 -1.97 -3.47 113.55 121.62 2d88 h SER 6 Ca -0.34 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2d88 h SER 6 Cb 1.17 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2d88 h SER 6 CO 0.48 -0.69 0.00 0.61 -0.53 0.00 0.00 176.83 176.70 2d88 n GLY 7 N -1.48 1.35 3.70 5.77 0.00 -1.26 -5.06 105.19 108.22 2d88 n GLY 7 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2d88 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d88 s VAL 8 N 3.71 4.33 0.33 1.61 -7.23 -1.26 -4.99 120.40 116.89 2d88 s VAL 8 Ca 0.00 1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 61.54 2d88 s VAL 8 Cb 0.00 -4.06 -0.11 0.00 0.56 0.00 0.00 36.38 32.77 2d88 s VAL 8 CO 0.00 0.05 1.40 0.00 -0.31 0.00 0.00 175.10 176.24 2d88 s ALA 9 N 1.76 3.55 1.46 1.32 0.00 -1.26 -4.99 121.76 123.61 2d88 s ALA 9 Ca 0.55 1.39 -0.24 0.00 0.00 0.00 0.00 51.96 53.67 2d88 s ALA 9 Cb -0.25 -3.54 0.38 0.00 0.00 0.00 0.00 23.12 19.71 2d88 s ALA 9 CO 0.24 -0.82 0.86 0.54 0.00 0.00 0.00 175.76 176.58 2d88 n ARG 10 N 0.95 -4.77 -1.45 0.00 1.74 -1.26 -4.71 116.66 107.16 2d88 n ARG 10 Ca 0.02 -1.42 -0.56 0.00 -0.77 0.00 0.00 57.85 55.11 2d88 n ARG 10 Cb 0.40 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 2d88 n ARG 10 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2d88 n SER 11 N -5.61 0.96 -4.77 0.55 3.41 -1.26 -4.85 113.62 102.06 2d88 n SER 11 Ca 0.13 0.99 -0.35 0.00 -0.26 0.00 0.00 58.87 59.39 2d88 n SER 11 Cb 0.59 -0.74 0.01 0.00 -0.26 0.00 0.00 64.21 63.82 2d88 n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d88 s SER 12 N 2.39 5.56 0.17 4.04 0.15 -1.26 -4.83 113.70 119.92 2d88 s SER 12 Ca 0.87 2.18 -0.22 0.00 0.70 0.00 0.00 55.95 59.49 2d88 s SER 12 Cb -1.24 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 60.57 2d88 s SER 12 CO 0.68 -1.33 1.60 0.11 1.20 0.00 0.00 173.24 175.50 2d88 h LYS 13 N 0.99 -0.21 -0.34 5.44 6.56 -2.01 -1.19 116.57 125.81 2d88 h LYS 13 Ca -0.50 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2d88 h LYS 13 Cb 1.27 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.96 2d88 h LYS 13 CO 0.56 -0.14 0.22 1.25 -2.06 0.00 0.00 179.45 179.28 2d88 h LEU 14 N -0.21 0.40 -0.23 2.94 5.85 -2.00 -3.15 115.31 118.91 2d88 h LEU 14 Ca 0.19 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2d88 h LEU 14 Cb 0.52 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2d88 h LEU 14 CO -0.54 0.31 -0.36 0.25 -0.34 0.00 0.00 178.44 177.75 2d88 h LEU 15 N 0.45 -1.20 -0.72 2.25 5.85 -1.62 -1.98 115.31 118.35 2d88 h LEU 15 Ca 0.12 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.10 2d88 h LEU 15 Cb -0.03 0.49 -0.11 0.00 0.37 0.00 0.00 40.66 41.38 2d88 h LEU 15 CO -0.03 -0.28 -0.31 0.61 -0.34 0.00 0.00 178.44 178.09 2d88 n GLY 16 N -1.25 -1.57 0.37 3.75 0.00 -0.70 0.30 105.19 106.09 2d88 n GLY 16 Ca -0.03 0.82 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 2d88 n GLY 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2d88 h TRP 17 N 0.00 -1.11 -0.12 1.61 7.01 -1.42 -0.65 115.95 121.28 2d88 h TRP 17 Ca 0.22 0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.31 2d88 h TRP 17 Cb 0.40 0.54 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 2d88 h TRP 17 CO -0.65 -0.42 -0.03 0.00 -2.79 0.00 0.00 178.44 174.54 2d88 h GLN 19 N -0.00 0.54 0.00 0.00 4.20 -0.02 0.70 115.11 120.52 2d88 h GLN 19 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2d88 h GLN 19 Cb 0.09 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2d88 h GLN 19 CO -0.13 0.36 -0.03 0.00 -0.67 0.00 0.00 178.83 178.35 2d88 h ARG 20 N 0.55 0.01 0.75 1.46 2.47 -0.39 -2.93 114.38 116.31 2d88 h ARG 20 Ca 0.61 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.27 2d88 h ARG 20 Cb 1.25 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.59 2d88 h ARG 20 CO -0.39 0.95 -0.36 1.96 0.56 0.00 0.00 179.97 182.69 2d88 h GLN 21 N -0.91 -0.97 -0.84 0.04 1.08 0.28 -3.03 115.11 110.75 2d88 h GLN 21 Ca -0.01 0.07 0.19 0.00 -1.45 0.00 0.00 58.65 57.45 2d88 h GLN 21 Cb 0.97 0.22 -0.12 0.00 -0.05 0.00 0.00 27.48 28.50 2d88 h GLN 21 CO 0.01 -0.65 0.33 1.79 -0.95 0.00 0.00 178.83 179.36 2d88 h THR 22 N -1.03 0.52 -0.84 -0.54 1.35 0.18 -3.43 112.91 109.14 2d88 h THR 22 Ca -0.10 -0.13 -0.63 0.00 -0.55 0.00 0.00 66.41 65.00 2d88 h THR 22 Cb 0.78 0.10 0.06 0.00 -1.73 0.00 0.00 68.15 67.35 2d88 h THR 22 CO 0.17 0.07 -0.12 -0.67 -0.25 0.00 0.00 175.52 174.72 2d88 n ASP 23 N -5.06 -0.37 0.00 5.36 -0.08 -1.11 -2.31 116.55 112.99 2d88 n ASP 23 Ca 0.19 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 2d88 n ASP 23 Cb 0.56 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.24 2d88 n ASP 23 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d88 n GLY 24 N 1.40 2.54 2.82 0.27 0.00 -1.26 -5.01 105.19 105.96 2d88 n GLY 24 Ca 0.16 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 2d88 n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d88 n TYR 25 N 0.00 -3.62 -3.89 1.61 4.02 -0.98 -5.00 117.16 109.31 2d88 n TYR 25 Ca 0.00 -0.74 -0.35 0.00 -0.01 0.00 0.00 57.90 56.80 2d88 n TYR 25 Cb 0.00 -1.08 -0.13 0.00 -0.02 0.00 0.00 39.34 38.10 2d88 n TYR 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d88 s ALA 26 N -2.24 2.86 0.00 -0.72 0.00 -1.26 -4.55 121.76 115.85 2d88 s ALA 26 Ca 0.59 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2d88 s ALA 26 Cb -0.10 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2d88 s ALA 26 CO 0.49 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2d88 n GLY 27 N 4.63 0.52 2.67 0.00 0.00 -1.26 -5.00 105.19 106.75 2d88 n GLY 27 Ca -0.12 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2d88 n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d88 n VAL 28 N -2.96 2.79 -3.40 1.61 0.31 -1.26 -4.93 118.33 110.49 2d88 n VAL 28 Ca 0.00 -5.27 -0.42 0.00 -0.01 0.00 0.00 64.34 58.64 2d88 n VAL 28 Cb 0.08 -2.14 -0.09 0.00 -0.91 0.00 0.00 33.84 30.77 2d88 n VAL 28 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2d88 s ASN 29 N -1.95 6.15 -0.41 4.52 2.47 -1.26 -4.67 114.94 119.80 2d88 s ASN 29 Ca 0.35 -0.66 -0.22 0.00 0.42 0.00 0.00 52.86 52.75 2d88 s ASN 29 Cb 0.08 -2.19 0.02 0.00 -1.45 0.00 0.00 41.25 37.70 2d88 s ASN 29 CO -0.03 -0.47 0.70 -0.69 -3.72 0.00 0.00 177.10 172.89 2d88 s VAL 30 N 1.93 4.77 -0.11 -5.21 1.01 -1.26 -4.86 120.40 116.68 2d88 s VAL 30 Ca 0.09 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2d88 s VAL 30 Cb -0.18 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2d88 s VAL 30 CO 0.12 -0.55 -0.08 0.35 0.00 0.00 0.00 175.10 174.94 2d88 n THR 31 N 5.87 0.61 -3.83 3.92 -2.24 -1.26 -4.86 114.28 112.49 2d88 n THR 31 Ca 0.00 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2d88 n THR 31 Cb 0.48 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.71 2d88 n THR 31 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2d88 s ASP 32 N -4.95 -0.11 0.00 3.42 1.01 -1.26 -5.03 116.67 109.75 2d88 s ASP 32 Ca -0.14 0.22 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 2d88 s ASP 32 Cb 0.04 0.22 -0.17 0.00 1.01 0.00 0.00 42.92 44.01 2d88 s ASP 32 CO 0.26 -0.04 2.71 0.18 0.21 0.00 0.00 175.17 178.49 2d88 n LEU 33 N 3.06 4.12 0.00 1.23 4.77 -1.26 -3.27 117.00 125.64 2d88 n LEU 33 Ca -0.13 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 2d88 n LEU 33 Cb 0.59 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2d88 n LEU 33 CO 0.22 1.15 0.00 0.35 -1.33 0.00 0.00 177.39 177.78 2d88 n THR 34 N 2.43 0.00 -0.03 -5.08 -2.24 -1.26 -4.71 114.28 103.39 2d88 n THR 34 Ca 0.28 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.86 2d88 n THR 34 Cb 0.66 -0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 2d88 n THR 34 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2d88 h MET 35 N 0.00 0.14 -1.34 -0.78 2.86 -1.97 -3.10 114.93 110.74 2d88 h MET 35 Ca 0.00 -0.24 0.42 0.00 -2.06 0.00 0.00 59.70 57.82 2d88 h MET 35 Cb 0.00 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.66 2d88 h MET 35 CO 0.00 1.12 0.92 0.45 1.06 0.00 0.00 176.91 180.45 2d88 n SER 36 N -4.21 0.09 -0.05 1.22 2.88 -1.20 0.19 113.62 112.54 2d88 n SER 36 Ca -0.22 0.96 -0.18 0.00 -1.33 0.00 0.00 58.87 58.10 2d88 n SER 36 Cb 0.75 -0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 63.60 2d88 n SER 36 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d88 n TRP 37 N -3.93 0.76 -0.23 0.66 7.02 -1.25 -4.30 117.44 116.16 2d88 n TRP 37 Ca 0.34 0.18 0.22 0.00 -1.02 0.00 0.00 57.50 57.21 2d88 n TRP 37 Cb 1.43 -1.11 0.40 0.00 -2.42 0.00 0.00 31.31 29.62 2d88 n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2d88 n LYS 38 N -3.30 -0.04 0.25 -0.99 5.02 0.50 0.13 118.16 119.73 2d88 n LYS 38 Ca -0.34 1.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.79 2d88 n LYS 38 Cb 1.04 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 2d88 n LYS 38 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2d88 h SER 39 N 0.00 -0.49 0.00 4.39 4.64 -1.72 -3.43 113.55 116.94 2d88 h SER 39 Ca 0.59 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2d88 h SER 39 Cb 1.53 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2d88 h SER 39 CO -0.57 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 175.67 2d88 n GLY 40 N -1.29 3.19 0.21 -0.77 0.00 0.36 -4.37 105.19 102.53 2d88 n GLY 40 Ca -0.11 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 2d88 n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d88 h LEU 41 N 0.00 -0.93 -0.96 0.99 3.38 -1.87 0.42 115.31 116.34 2d88 h LEU 41 Ca 0.00 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.24 2d88 h LEU 41 Cb 0.00 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 2d88 h LEU 41 CO 0.00 -0.17 -0.39 0.00 0.09 0.00 0.00 178.44 177.96 2d88 n ALA 42 N -2.94 -0.17 -0.33 1.53 0.00 -1.26 0.10 120.51 117.44 2d88 n ALA 42 Ca -0.01 0.95 0.03 0.00 0.00 0.00 0.00 53.44 54.40 2d88 n ALA 42 Cb 0.15 -0.40 0.17 0.00 0.00 0.00 0.00 19.45 19.37 2d88 n ALA 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2d88 h LEU 43 N 0.00 0.90 -0.92 0.00 5.85 -1.56 -1.06 115.31 118.51 2d88 h LEU 43 Ca 0.32 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 2d88 h LEU 43 Cb 0.56 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2d88 h LEU 43 CO -0.95 0.55 -0.26 0.00 -0.34 0.00 0.00 178.44 177.44 2d88 h ALA 45 N 1.29 1.32 0.49 0.00 0.00 0.90 -2.03 119.26 121.24 2d88 h ALA 45 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2d88 h ALA 45 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2d88 h ALA 45 CO 0.05 0.35 -0.24 0.82 0.00 0.00 0.00 179.25 180.24 2d88 h ILE 46 N 0.00 0.00 -0.77 0.00 1.08 -0.99 0.14 117.51 116.98 2d88 h ILE 46 Ca -0.00 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2d88 h ILE 46 Cb 0.58 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.28 2d88 h ILE 46 CO 0.04 0.00 0.47 0.40 -0.69 0.00 0.00 178.15 178.36 2d88 h ILE 47 N -0.85 1.04 -0.03 -0.67 2.04 -1.58 -2.65 117.51 114.81 2d88 h ILE 47 Ca -0.07 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2d88 h ILE 47 Cb 0.50 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2d88 h ILE 47 CO 0.11 0.16 0.01 -0.74 0.00 0.00 0.00 178.15 177.69 2d88 h HIS 48 N 0.87 0.04 -0.74 1.37 2.76 -1.38 0.18 115.15 118.25 2d88 h HIS 48 Ca 0.33 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.56 2d88 h HIS 48 Cb 0.13 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 28.99 2d88 h HIS 48 CO -0.05 0.14 -0.43 -2.13 -1.30 0.00 0.00 177.93 174.17 2d88 n ARG 49 N -5.01 -0.32 -0.05 5.26 0.63 0.50 -1.09 116.66 116.58 2d88 n ARG 49 Ca -0.07 1.11 -0.11 0.00 -0.92 0.00 0.00 57.85 57.87 2d88 n ARG 49 Cb 0.09 -1.64 -0.10 0.00 0.45 0.00 0.00 32.46 31.26 2d88 n ARG 49 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2d88 h TYR 50 N 0.00 -0.02 -3.41 -0.14 -1.99 -1.57 -3.42 116.97 106.42 2d88 h TYR 50 Ca 0.12 -0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.22 2d88 h TYR 50 Cb 0.30 0.01 -0.40 0.00 2.00 0.00 0.00 36.73 38.64 2d88 h TYR 50 CO -0.76 0.70 -0.71 1.03 -0.00 0.00 0.00 178.16 178.42 2d88 s ARG 51 N -2.29 1.41 0.39 4.88 0.52 0.62 -4.96 118.95 119.52 2d88 s ARG 51 Ca -0.14 -1.91 0.18 0.00 -0.52 0.00 0.00 55.73 53.34 2d88 s ARG 51 Cb -0.02 -2.86 0.79 0.00 0.52 0.00 0.00 34.95 33.38 2d88 s ARG 51 CO 0.53 -1.02 1.80 -1.00 0.02 0.00 0.00 175.30 175.63 2d88 h PRO 52 N 7.32 0.00 0.64 3.54 0.13 -1.27 -3.23 132.00 139.14 2d88 h PRO 52 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2d88 h PRO 52 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2d88 h PRO 52 CO 0.54 0.35 -0.34 -0.44 -0.23 0.00 0.00 178.00 177.89 2d88 h ASP 53 N 0.00 -0.83 -0.77 1.44 3.32 -1.91 -3.18 116.42 114.50 2d88 h ASP 53 Ca -0.00 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.15 2d88 h ASP 53 Cb 0.76 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 2d88 h ASP 53 CO 0.05 -0.56 -0.47 -0.07 -1.72 0.00 0.00 179.24 176.47 2d88 h LEU 54 N -0.91 -1.72 -8.61 1.55 3.38 -1.91 -3.38 115.31 103.71 2d88 h LEU 54 Ca -0.08 0.26 -0.67 0.00 0.09 0.00 0.00 57.88 57.47 2d88 h LEU 54 Cb 0.71 0.76 -0.28 0.00 0.09 0.00 0.00 40.66 41.94 2d88 h LEU 54 CO 0.12 -0.19 -0.80 -0.51 0.09 0.00 0.00 178.44 177.15 2d88 s ILE 55 N -5.00 2.77 -0.69 1.22 2.07 -1.20 -5.01 121.20 115.35 2d88 s ILE 55 Ca -0.10 -0.78 -0.18 0.00 -1.41 0.00 0.00 60.65 58.18 2d88 s ILE 55 Cb 0.09 -2.12 0.12 0.00 0.13 0.00 0.00 42.46 40.68 2d88 s ILE 55 CO 0.49 0.55 0.81 -0.62 -1.91 0.00 0.00 174.94 174.27 2d88 s ASP 56 N 0.07 6.35 0.05 4.50 -1.08 -1.25 -4.64 116.67 120.68 2d88 s ASP 56 Ca -0.07 -1.69 -0.18 0.00 -0.52 0.00 0.00 52.55 50.09 2d88 s ASP 56 Cb -0.15 -2.32 -0.14 0.00 -1.46 0.00 0.00 42.92 38.86 2d88 s ASP 56 CO 0.05 -1.06 1.32 0.15 0.52 0.00 0.00 175.17 176.16 2d88 h PHE 57 N 8.96 0.61 -0.85 -5.34 3.04 -1.88 -2.71 116.94 118.77 2d88 h PHE 57 Ca -0.15 -0.21 0.19 0.00 3.98 0.00 0.00 57.97 61.77 2d88 h PHE 57 Cb 1.07 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 39.40 2d88 h PHE 57 CO 0.94 0.92 0.57 0.22 -2.02 0.00 0.00 178.31 178.93 2d88 h ASP 58 N 0.14 0.38 -0.02 0.41 3.58 -1.97 -1.42 116.42 117.52 2d88 h ASP 58 Ca 0.01 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2d88 h ASP 58 Cb 0.86 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.88 2d88 h ASP 58 CO 0.06 0.17 -0.33 0.28 -2.88 0.00 0.00 179.24 176.54 2d88 h SER 59 N 0.39 0.33 -2.88 2.28 0.02 -1.96 -3.46 113.55 108.28 2d88 h SER 59 Ca 0.43 -0.72 -0.48 0.00 -0.84 0.00 0.00 61.79 60.19 2d88 h SER 59 Cb 1.09 -0.10 0.22 0.00 0.14 0.00 0.00 62.40 63.76 2d88 h SER 59 CO -0.15 1.01 -0.69 0.18 -1.14 0.00 0.00 176.83 176.03 2d88 n LEU 60 N -4.43 -1.26 -3.99 5.07 4.77 -0.54 -5.04 117.00 111.58 2d88 n LEU 60 Ca -0.09 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2d88 n LEU 60 Cb 0.53 -1.11 -0.12 0.00 -2.33 0.00 0.00 43.42 40.39 2d88 n LEU 60 CO 0.41 -3.22 -0.38 -0.62 -1.33 0.00 0.00 177.39 172.26 2d88 s ASP 61 N -2.03 0.47 0.22 -1.43 -1.08 -1.26 -4.98 116.67 106.57 2d88 s ASP 61 Ca 0.59 -0.39 -0.08 0.00 -0.52 0.00 0.00 52.55 52.15 2d88 s ASP 61 Cb -0.17 0.04 0.27 0.00 -1.46 0.00 0.00 42.92 41.60 2d88 s ASP 61 CO 0.66 -0.18 1.82 1.05 0.52 0.00 0.00 175.17 179.04 2d88 h GLU 62 N 4.99 0.75 -0.27 4.34 4.11 -1.96 -0.46 114.58 126.08 2d88 h GLU 62 Ca -0.32 -0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.15 2d88 h GLU 62 Cb 1.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2d88 h GLU 62 CO 0.44 0.50 0.22 -0.56 0.07 0.00 0.00 179.01 179.67 2d88 h GLN 63 N 0.77 0.00 -6.29 1.06 3.07 -2.00 -3.39 115.11 108.33 2d88 h GLN 63 Ca 0.32 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.49 2d88 h GLN 63 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.68 2d88 h GLN 63 CO -0.18 0.00 0.79 -0.80 0.09 0.00 0.00 178.83 178.73 2d88 s ASN 64 N -6.29 6.85 -0.02 0.06 0.01 -0.18 -4.90 114.94 110.46 2d88 s ASN 64 Ca -0.05 0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 52.96 2d88 s ASN 64 Cb 0.17 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 2d88 s ASN 64 CO 0.65 -0.90 -0.06 0.52 -1.51 0.00 0.00 177.10 175.80 2d88 n VAL 65 N 5.98 0.37 -0.30 1.60 0.31 -1.26 -4.16 118.33 120.86 2d88 n VAL 65 Ca 0.11 0.30 0.18 0.00 -0.01 0.00 0.00 64.34 64.92 2d88 n VAL 65 Cb 0.47 -1.53 0.44 0.00 -0.91 0.00 0.00 33.84 32.32 2d88 n VAL 65 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2d88 h GLU 66 N -0.17 0.52 0.06 5.55 4.81 -1.83 -2.44 114.58 121.07 2d88 h GLU 66 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2d88 h GLU 66 Cb 0.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2d88 h GLU 66 CO 0.00 0.34 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.38 2d88 h LYS 67 N 0.53 -0.08 -0.74 1.92 3.64 -1.91 0.26 116.57 120.20 2d88 h LYS 67 Ca 0.54 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 60.17 2d88 h LYS 67 Cb 1.16 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 2d88 h LYS 67 CO -0.28 -0.05 0.16 0.09 -2.27 0.00 0.00 179.45 177.10 2d88 n ASN 68 N -2.28 0.04 0.09 4.20 3.02 -1.08 -0.22 115.26 119.03 2d88 n ASN 68 Ca -0.01 1.25 -0.07 0.00 -0.03 0.00 0.00 54.58 55.72 2d88 n ASN 68 Cb 0.03 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.64 2d88 n ASN 68 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2d88 h ASN 69 N 0.00 -0.26 -0.93 6.41 2.35 -1.45 -2.87 115.58 118.83 2d88 h ASN 69 Ca 0.52 -0.12 0.27 0.00 -0.55 0.00 0.00 56.30 56.42 2d88 h ASN 69 Cb 1.21 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 39.48 2d88 h ASN 69 CO -0.65 0.24 0.19 -0.61 -1.65 0.00 0.00 177.43 174.95 2d88 h GLN 70 N -1.03 0.11 0.17 0.81 5.75 0.28 -0.14 115.11 121.05 2d88 h GLN 70 Ca -0.03 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2d88 h GLN 70 Cb 0.37 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.90 2d88 h GLN 70 CO 0.05 0.07 -0.08 1.25 -2.65 0.00 0.00 178.83 177.47 2d88 h LEU 71 N 0.11 -0.20 -0.96 -2.39 5.85 -0.78 -2.90 115.31 114.05 2d88 h LEU 71 Ca 0.60 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.44 2d88 h LEU 71 Cb 1.27 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.22 2d88 h LEU 71 CO -0.76 -0.13 -0.50 0.00 -0.34 0.00 0.00 178.44 176.71 2d88 h ALA 72 N -1.87 -0.26 -1.26 1.25 0.00 -1.14 1.17 119.26 117.16 2d88 h ALA 72 Ca -0.02 0.18 0.37 0.00 0.00 0.00 0.00 54.91 55.44 2d88 h ALA 72 Cb 0.18 1.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 2d88 h ALA 72 CO 0.04 -0.82 0.84 0.74 0.00 0.00 0.00 179.25 180.05 2d88 h PHE 73 N -0.03 0.40 0.00 0.00 0.04 -1.10 0.32 116.94 116.58 2d88 h PHE 73 Ca 0.23 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2d88 h PHE 73 Cb 0.50 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2d88 h PHE 73 CO -0.94 -0.05 -0.25 0.22 -0.60 0.00 0.00 178.31 176.68 2d88 h ASP 74 N 0.16 0.00 -0.70 2.17 3.58 0.14 -3.33 116.42 118.44 2d88 h ASP 74 Ca 0.70 0.00 0.13 0.00 0.42 0.00 0.00 57.03 58.28 2d88 h ASP 74 Cb 2.26 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 43.18 2d88 h ASP 74 CO -0.25 0.54 -0.25 0.40 -2.88 0.00 0.00 179.24 176.80 2d88 h ILE 75 N -0.83 0.21 0.00 2.25 1.08 0.29 0.23 117.51 120.74 2d88 h ILE 75 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2d88 h ILE 75 Cb 0.25 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2d88 h ILE 75 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 2d88 n ALA 76 N -3.21 -0.09 -0.22 1.87 0.00 0.11 -1.08 120.51 117.87 2d88 n ALA 76 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2d88 n ALA 76 Cb 0.37 0.29 0.14 0.00 0.00 0.00 0.00 19.45 20.26 2d88 n ALA 76 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2d88 h GLU 77 N 0.00 0.27 -0.67 0.00 4.22 -1.47 1.98 114.58 118.91 2d88 h GLU 77 Ca 0.00 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.52 2d88 h GLU 77 Cb 0.00 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.07 2d88 h GLU 77 CO 0.00 0.18 -0.44 0.87 -2.18 0.00 0.00 179.01 177.44 2d88 h LYS 78 N 0.28 -0.17 0.00 1.92 1.79 0.04 -1.97 116.57 118.45 2d88 h LYS 78 Ca 0.36 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2d88 h LYS 78 Cb 0.57 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2d88 h LYS 78 CO -0.45 -0.11 -0.53 0.39 -1.08 0.00 0.00 179.45 177.67 2d88 n GLU 79 N -5.40 0.28 0.05 3.15 -0.58 -0.25 -4.70 120.64 113.19 2d88 n GLU 79 Ca 0.03 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 2d88 n GLU 79 Cb 0.35 -0.99 -0.08 0.00 -0.57 0.00 0.00 31.44 30.15 2d88 n GLU 79 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2d88 h LEU 80 N -0.53 -1.43 0.00 -4.62 3.38 0.29 -3.47 115.31 108.93 2d88 h LEU 80 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2d88 h LEU 80 Cb 0.53 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2d88 h LEU 80 CO 0.00 -0.48 0.00 0.61 0.09 0.00 0.00 178.44 178.66 2d88 n GLY 81 N -1.46 0.86 3.55 0.83 0.00 0.35 -4.91 105.19 104.42 2d88 n GLY 81 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2d88 n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d88 s ILE 82 N -2.00 3.70 0.24 -0.61 1.01 -1.26 -4.73 121.20 117.55 2d88 s ILE 82 Ca 0.00 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 2d88 s ILE 82 Cb 0.00 -4.80 -0.12 0.00 0.01 0.00 0.00 42.46 37.55 2d88 s ILE 82 CO 0.00 -1.74 1.65 -1.54 0.00 0.00 0.00 174.94 173.31 2d88 n SER 83 N 9.82 3.80 -4.77 3.58 3.41 -1.26 -3.32 113.62 124.88 2d88 n SER 83 Ca 0.10 1.10 -0.38 0.00 -0.26 0.00 0.00 58.87 59.43 2d88 n SER 83 Cb 0.50 -1.56 -0.02 0.00 -0.26 0.00 0.00 64.21 62.87 2d88 n SER 83 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2d88 s PRO 84 N 0.40 3.98 0.13 4.33 0.04 -1.26 -4.96 135.00 137.66 2d88 s PRO 84 Ca 0.71 1.86 0.20 0.00 0.04 0.00 0.00 61.00 63.81 2d88 s PRO 84 Cb -0.52 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 2d88 s PRO 84 CO 0.40 -0.39 0.91 0.44 0.04 0.00 0.00 177.00 178.40 2d88 n ILE 85 N -0.03 0.85 -4.09 0.56 -5.35 -1.26 -4.97 119.36 105.07 2d88 n ILE 85 Ca 0.05 -0.61 -0.10 0.00 -0.27 0.00 0.00 62.75 61.81 2d88 n ILE 85 Cb 0.46 -0.50 -0.08 0.00 -1.74 0.00 0.00 39.64 37.78 2d88 n ILE 85 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2d88 s MET 86 N -3.17 1.25 -0.08 6.28 -1.94 -1.26 -5.16 119.30 115.21 2d88 s MET 86 Ca -0.02 -1.40 -0.04 0.00 -1.71 0.00 0.00 55.69 52.52 2d88 s MET 86 Cb 0.09 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.24 2d88 s MET 86 CO 0.81 -0.45 0.11 0.95 -0.01 0.00 0.00 175.02 176.42 2d88 s THR 87 N -4.06 5.11 0.22 2.05 -4.23 -1.26 -4.96 115.64 108.50 2d88 s THR 87 Ca 0.28 -0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2d88 s THR 87 Cb 0.04 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.97 2d88 s THR 87 CO 0.07 0.54 1.25 0.61 -0.54 0.00 0.00 174.62 176.55 2d88 n GLY 88 N 1.75 -1.41 0.25 3.99 0.00 -1.26 0.15 105.19 108.66 2d88 n GLY 88 Ca -0.17 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.71 2d88 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2d88 h LYS 89 N 0.00 0.56 -0.42 1.61 3.64 -1.95 -0.39 116.57 119.62 2d88 h LYS 89 Ca 0.37 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 2d88 h LYS 89 Cb 0.57 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2d88 h LYS 89 CO -0.82 0.37 -0.01 0.93 -2.27 0.00 0.00 179.45 177.65 2d88 h GLU 90 N 0.58 0.68 -0.08 1.90 4.39 0.96 0.91 114.58 123.92 2d88 h GLU 90 Ca 0.31 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2d88 h GLU 90 Cb 0.28 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2d88 h GLU 90 CO -0.23 0.70 0.00 1.98 -1.16 0.00 0.00 179.01 180.30 2d88 h MET 91 N 0.64 0.14 -0.08 2.33 4.05 0.18 0.26 114.93 122.44 2d88 h MET 91 Ca 0.13 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.39 2d88 h MET 91 Cb 0.42 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2d88 h MET 91 CO 0.02 0.40 -0.46 0.00 0.23 0.00 0.00 176.91 177.09 2d88 h ALA 92 N 0.74 1.09 0.16 0.39 0.00 -1.00 -3.27 119.26 117.37 2d88 h ALA 92 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2d88 h ALA 92 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2d88 h ALA 92 CO 0.00 0.62 -0.08 0.77 0.00 0.00 0.00 179.25 180.56 2d88 h SER 93 N 0.15 -0.18 -3.01 0.00 0.02 -0.71 -3.46 113.55 106.36 2d88 h SER 93 Ca 0.01 -0.32 -0.58 0.00 -0.84 0.00 0.00 61.79 60.06 2d88 h SER 93 Cb 0.87 0.05 0.17 0.00 0.14 0.00 0.00 62.40 63.63 2d88 h SER 93 CO 0.07 0.38 -0.31 0.55 -1.14 0.00 0.00 176.83 176.38 2d88 n VAL 94 N -4.91 2.44 0.13 2.27 3.14 0.89 -4.92 118.33 117.36 2d88 n VAL 94 Ca -0.07 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.57 2d88 n VAL 94 Cb 0.25 -0.75 -0.15 0.00 -1.06 0.00 0.00 33.84 32.12 2d88 n VAL 94 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2d88 h GLY 95 N 0.34 0.60 -5.08 7.55 0.00 -1.88 -3.47 103.07 101.12 2d88 h GLY 95 Ca -0.46 -1.49 0.02 0.00 0.00 0.00 0.00 47.33 45.40 2d88 h GLY 95 CO 0.48 1.31 0.08 1.85 0.00 0.00 0.00 176.54 180.26 2d88 s GLU 96 N -2.63 0.71 1.16 4.80 2.12 -1.26 -5.04 118.70 118.55 2d88 s GLU 96 Ca -0.10 1.12 -0.18 0.00 0.36 0.00 0.00 54.97 56.18 2d88 s GLU 96 Cb 0.04 0.19 0.27 0.00 0.26 0.00 0.00 34.13 34.89 2d88 s GLU 96 CO 0.93 -0.13 1.11 -1.25 -0.54 0.00 0.00 175.26 175.38 2d88 s PRO 97 N 1.32 -0.87 -0.23 4.30 0.04 -1.26 -5.03 135.00 133.27 2d88 s PRO 97 Ca -0.08 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 60.93 2d88 s PRO 97 Cb -0.05 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 2d88 s PRO 97 CO -0.15 -3.50 0.12 0.34 0.04 0.00 0.00 177.00 173.85 2d88 s ASP 98 N -3.80 5.82 0.04 6.66 2.15 -1.26 -5.00 116.67 121.28 2d88 s ASP 98 Ca 0.70 0.04 -0.07 0.00 0.43 0.00 0.00 52.55 53.64 2d88 s ASP 98 Cb -0.12 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 2d88 s ASP 98 CO 0.56 0.07 1.10 1.17 -0.17 0.00 0.00 175.17 177.90 2d88 n LYS 99 N 4.27 -0.11 -0.16 4.34 3.00 -1.26 -0.30 118.16 127.94 2d88 n LYS 99 Ca -0.15 1.09 -0.06 0.00 -0.00 0.00 0.00 58.31 59.18 2d88 n LYS 99 Cb 0.52 -1.63 -0.05 0.00 0.00 0.00 0.00 35.03 33.87 2d88 n LYS 99 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2d88 h LEU 100 N 0.00 -1.07 -0.65 3.14 3.38 -1.95 0.24 115.31 118.39 2d88 h LEU 100 Ca 0.04 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.26 2d88 h LEU 100 Cb 0.10 0.46 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 2d88 h LEU 100 CO -0.23 -0.16 -0.42 0.28 0.09 0.00 0.00 178.44 178.00 2d88 h SER 101 N -0.09 -1.46 0.19 -0.43 0.02 -1.76 0.20 113.55 110.21 2d88 h SER 101 Ca 0.06 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2d88 h SER 101 Cb 0.26 0.68 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2d88 h SER 101 CO -0.42 -0.32 -0.32 0.24 -1.14 0.00 0.00 176.83 174.88 2d88 h MET 102 N -0.18 -0.52 -0.19 3.45 2.86 0.59 -0.34 114.93 120.61 2d88 h MET 102 Ca 0.21 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 2d88 h MET 102 Cb 0.56 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 2d88 h MET 102 CO -0.74 -0.35 -0.33 0.28 1.06 0.00 0.00 176.91 176.84 2d88 h VAL 103 N -0.54 0.00 -0.80 -2.22 2.07 0.05 0.27 116.25 115.08 2d88 h VAL 103 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 2d88 h VAL 103 Cb 0.50 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.14 2d88 h VAL 103 CO -0.11 0.00 -0.38 0.24 0.02 0.00 0.00 177.57 177.34 2d88 h MET 104 N -0.27 -0.08 0.27 1.57 2.86 -0.57 0.18 114.93 118.89 2d88 h MET 104 Ca 0.03 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2d88 h MET 104 Cb 0.37 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2d88 h MET 104 CO -0.32 -0.05 -0.17 -0.92 1.06 0.00 0.00 176.91 176.51 2d88 h TYR 105 N -0.08 -0.46 -0.97 -0.22 3.20 -0.27 -3.01 116.97 115.15 2d88 h TYR 105 Ca 0.28 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.34 2d88 h TYR 105 Cb 0.57 0.16 -0.19 0.00 1.54 0.00 0.00 36.73 38.82 2d88 h TYR 105 CO -0.78 -0.25 -0.24 -0.07 -1.64 0.00 0.00 178.16 175.18 2d88 h LEU 106 N -0.41 -0.91 -0.70 2.82 3.38 0.04 -0.11 115.31 119.42 2d88 h LEU 106 Ca -0.04 0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.31 2d88 h LEU 106 Cb 0.33 0.60 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 2d88 h LEU 106 CO 0.03 -0.32 -0.35 0.41 0.09 0.00 0.00 178.44 178.30 2d88 n THR 107 N -5.62 -0.43 -0.26 0.22 -1.04 0.60 0.10 114.28 107.86 2d88 n THR 107 Ca 0.15 1.67 0.10 0.00 -2.04 0.00 0.00 64.05 63.94 2d88 n THR 107 Cb 0.49 -2.13 0.20 0.00 -1.82 0.00 0.00 70.33 67.07 2d88 n THR 107 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d88 n GLN 108 N -4.95 -0.06 0.02 -2.82 6.02 -0.05 0.12 117.38 115.66 2d88 n GLN 108 Ca 0.04 1.12 -0.13 0.00 -0.01 0.00 0.00 57.00 58.03 2d88 n GLN 108 Cb 0.23 -1.77 -0.09 0.00 1.02 0.00 0.00 30.24 29.63 2d88 n GLN 108 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2d88 h PHE 109 N 0.00 -0.03 0.68 1.08 -1.00 0.55 -2.89 116.94 115.32 2d88 h PHE 109 Ca 0.44 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.19 2d88 h PHE 109 Cb 0.87 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2d88 h PHE 109 CO -0.41 0.25 -0.37 -0.92 -1.61 0.00 0.00 178.31 175.25 2d88 h TYR 110 N -0.30 -0.97 -0.37 -0.55 5.03 0.11 0.28 116.97 120.20 2d88 h TYR 110 Ca -0.00 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.40 2d88 h TYR 110 Cb 0.29 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2d88 h TYR 110 CO 0.02 -0.57 0.85 0.93 -1.32 0.00 0.00 178.16 178.07 2d88 h GLU 111 N -0.96 0.00 0.01 1.82 4.39 -0.61 1.91 114.58 121.14 2d88 h GLU 111 Ca -0.09 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 2d88 h GLU 111 Cb 0.75 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 2d88 h GLU 111 CO 0.12 0.00 -1.81 -0.12 -1.16 0.00 0.00 179.01 176.05 2d88 n MET 112 N -2.98 0.65 -0.89 2.33 1.56 -0.74 -4.22 117.12 112.83 2d88 n MET 112 Ca 0.08 0.27 -0.04 0.00 -0.27 0.00 0.00 57.70 57.73 2d88 n MET 112 Cb 0.98 -1.76 0.18 0.00 2.15 0.00 0.00 33.22 34.77 2d88 n MET 112 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2d88 n PHE 113 N -3.06 0.94 0.03 1.12 3.72 0.57 -4.48 117.46 116.30 2d88 n PHE 113 Ca -0.20 -1.68 -0.22 0.00 -0.05 0.00 0.00 57.45 55.30 2d88 n PHE 113 Cb 1.06 -0.42 -0.14 0.00 -0.94 0.00 0.00 39.48 39.04 2d88 n PHE 113 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2d88 h LYS 114 N 1.16 0.32 -0.41 -1.08 2.10 0.62 -3.40 116.57 115.87 2d88 h LYS 114 Ca 0.17 -0.54 -0.29 0.00 -2.00 0.00 0.00 60.65 57.99 2d88 h LYS 114 Cb 1.39 0.20 -0.38 0.00 -0.90 0.00 0.00 32.23 32.54 2d88 h LYS 114 CO 0.32 1.26 -1.00 -0.40 -2.00 0.00 0.00 179.45 177.64 2d88 n ASP 115 N -3.59 2.29 -0.34 7.07 5.68 -1.26 -4.89 116.55 121.51 2d88 n ASP 115 Ca -0.28 -2.55 0.21 0.00 -0.50 0.00 0.00 54.79 51.67 2d88 n ASP 115 Cb 1.04 -0.42 0.44 0.00 -1.14 0.00 0.00 41.12 41.03 2d88 n ASP 115 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2d88 h SER 116 N 2.16 0.57 -0.38 -1.12 0.87 -1.79 -3.42 113.55 110.44 2d88 h SER 116 Ca -0.02 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2d88 h SER 116 Cb 1.41 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2d88 h SER 116 CO 0.29 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.16 2d88 n GLY 117 N -1.30 4.08 3.77 5.77 0.00 -1.26 -5.10 105.19 111.15 2d88 n GLY 117 Ca 0.30 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 2d88 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d88 s PRO 118 N 2.61 3.68 0.05 1.61 0.04 -1.26 -5.06 135.00 136.67 2d88 s PRO 118 Ca 0.00 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2d88 s PRO 118 Cb 0.00 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2d88 s PRO 118 CO 0.00 -0.61 0.24 -1.12 0.04 0.00 0.00 177.00 175.54 2d88 s SER 119 N -1.45 -0.02 1.07 6.66 0.01 -1.26 -5.06 113.70 113.65 2d88 s SER 119 Ca 0.65 -0.32 -0.22 0.00 1.31 0.00 0.00 55.95 57.38 2d88 s SER 119 Cb -0.28 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2d88 s SER 119 CO 0.33 -0.59 -0.53 -1.20 0.41 0.00 0.00 173.24 171.65 2d88 n SER 120 N 0.59 -2.61 0.00 2.44 7.64 -1.26 -5.24 113.62 115.17 2d88 n SER 120 Ca -0.18 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2d88 n SER 120 Cb 0.59 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2d88 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64