#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpd n GLN 2 N 0.00 0.00 -0.11 0.03 7.27 -1.26 -4.78 117.38 118.54 2wpd n GLN 2 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 2wpd n GLN 2 Cb 0.00 -0.13 0.04 0.00 2.41 0.00 0.00 30.24 32.56 2wpd n GLN 2 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2wpd h LEU 3 N 0.00 0.89 -0.28 1.69 3.38 -2.07 -2.38 115.31 116.54 2wpd h LEU 3 Ca 0.00 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 2wpd h LEU 3 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2wpd h LEU 3 CO 0.00 1.10 -0.68 1.62 0.09 0.00 0.00 178.44 180.57 2wpd h VAL 4 N 0.73 1.26 -0.38 1.22 3.04 -2.01 -3.23 116.25 116.89 2wpd h VAL 4 Ca 0.09 -2.52 -0.14 0.00 -1.01 0.00 0.00 66.70 63.12 2wpd h VAL 4 Cb 0.82 2.45 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 2wpd h VAL 4 CO 0.07 0.66 -0.31 0.25 -1.01 0.00 0.00 177.57 177.23 2wpd h LEU 5 N 0.00 0.87 -1.61 3.16 5.85 -1.83 -3.03 115.31 118.71 2wpd h LEU 5 Ca -0.01 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2wpd h LEU 5 Cb 1.40 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2wpd h LEU 5 CO 0.09 1.11 -0.18 0.00 -0.34 0.00 0.00 178.44 179.12 2wpd h ALA 6 N 0.94 1.68 0.00 1.25 0.00 -1.45 -1.58 119.26 120.10 2wpd h ALA 6 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wpd h ALA 6 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wpd h ALA 6 CO 0.08 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2wpd n ALA 7 N -2.50 1.86 0.10 0.00 0.00 -1.15 -2.71 120.51 116.12 2wpd n ALA 7 Ca -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2wpd n ALA 7 Cb 0.25 -1.42 0.11 0.00 0.00 0.00 0.00 19.45 18.38 2wpd n ALA 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wpd h LYS 8 N 0.00 0.16 0.14 0.00 1.57 -1.31 -2.27 116.57 114.86 2wpd h LYS 8 Ca 0.00 -0.13 -0.31 0.00 -1.87 0.00 0.00 60.65 58.34 2wpd h LYS 8 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wpd h LYS 8 CO 0.00 0.77 -1.54 1.88 -0.57 0.00 0.00 179.45 179.98 2wpd h TYR 9 N 0.11 0.54 -0.51 -1.35 0.05 -1.60 -3.08 116.97 111.12 2wpd h TYR 9 Ca -0.01 -0.39 -0.11 0.00 0.05 0.00 0.00 58.73 58.27 2wpd h TYR 9 Cb 1.19 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 2wpd h TYR 9 CO 0.02 1.43 -0.12 0.82 -1.05 0.00 0.00 178.16 179.26 2wpd h ILE 10 N 0.08 1.27 0.00 -2.88 2.04 -1.57 -2.72 117.51 113.73 2wpd h ILE 10 Ca -0.25 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2wpd h ILE 10 Cb 2.04 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2wpd h ILE 10 CO 0.18 0.44 -0.16 1.23 0.00 0.00 0.00 178.15 179.83 2wpd h GLY 11 N 0.95 0.00 1.90 5.37 0.00 -1.53 -3.18 103.07 106.58 2wpd h GLY 11 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.24 2wpd h GLY 11 CO 0.05 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.54 2wpd h ALA 12 N 1.84 0.30 0.00 3.60 0.00 -1.41 -2.96 119.26 120.63 2wpd h ALA 12 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2wpd h ALA 12 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wpd h ALA 12 CO 0.02 1.16 0.00 0.78 0.00 0.00 0.00 179.25 181.21 2wpd h GLY 13 N 2.58 0.00 0.90 0.00 0.00 -1.48 -3.22 103.07 101.86 2wpd h GLY 13 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.00 2wpd h GLY 13 CO 0.15 0.00 -1.73 1.39 0.00 0.00 0.00 176.54 176.35 2wpd n ILE 14 N -2.55 1.54 0.61 2.60 5.41 -1.20 -3.95 119.36 121.81 2wpd n ILE 14 Ca 0.05 -0.79 0.08 0.00 1.00 0.00 0.00 62.75 63.09 2wpd n ILE 14 Cb 0.44 -0.96 0.36 0.00 -0.71 0.00 0.00 39.64 38.78 2wpd n ILE 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2wpd n SER 15 N -3.00 0.00 0.19 4.38 3.41 -1.12 -1.83 113.62 115.65 2wpd n SER 15 Ca -0.17 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2wpd n SER 15 Cb 1.04 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 64.65 2wpd n SER 15 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2wpd h THR 16 N 0.00 0.18 0.00 6.66 1.35 -1.68 -3.23 112.91 116.19 2wpd h THR 16 Ca 0.00 -1.26 -0.06 0.00 -0.55 0.00 0.00 66.41 64.54 2wpd h THR 16 Cb 0.26 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 2wpd h THR 16 CO 0.00 0.10 -0.26 0.40 -0.25 0.00 0.00 175.52 175.51 2wpd h ILE 17 N 0.00 1.01 0.00 6.82 2.04 -1.57 -2.31 117.51 123.49 2wpd h ILE 17 Ca -0.00 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2wpd h ILE 17 Cb 1.09 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2wpd h ILE 17 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2wpd n GLY 18 N -0.57 -0.84 0.49 5.37 0.00 -1.22 -2.79 105.19 105.63 2wpd n GLY 18 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2wpd n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wpd n LEU 19 N -1.20 1.51 0.20 0.99 4.77 -0.87 -3.79 117.00 118.61 2wpd n LEU 19 Ca 0.11 -0.57 0.05 0.00 -0.03 0.00 0.00 56.01 55.57 2wpd n LEU 19 Cb 0.13 -0.05 0.41 0.00 -2.33 0.00 0.00 43.42 41.57 2wpd n LEU 19 CO 0.14 0.28 0.75 -0.07 -1.33 0.00 0.00 177.39 177.16 2wpd h LEU 20 N 2.17 0.00 -2.01 2.23 3.38 -1.72 -2.79 115.31 116.57 2wpd h LEU 20 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wpd h LEU 20 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wpd h LEU 20 CO 0.00 0.34 -0.09 1.23 0.09 0.00 0.00 178.44 180.01 2wpd h GLY 21 N 1.32 0.00 0.92 0.83 0.00 -1.84 -1.75 103.07 102.54 2wpd h GLY 21 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 2wpd h GLY 21 CO 0.04 0.00 -1.54 0.00 0.00 0.00 0.00 176.54 175.05 2wpd n ALA 22 N -2.26 1.83 0.00 3.60 0.00 -1.06 -1.85 120.51 120.77 2wpd n ALA 22 Ca -0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 2wpd n ALA 22 Cb 0.22 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 2wpd n ALA 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wpd h GLY 23 N 3.69 -0.11 1.45 0.00 0.00 -1.36 -3.00 103.07 103.73 2wpd h GLY 23 Ca -0.21 0.04 -0.28 0.00 0.00 0.00 0.00 47.33 46.88 2wpd h GLY 23 CO 0.05 -0.04 -1.38 -2.22 0.00 0.00 0.00 176.54 172.95 2wpd h ILE 24 N -0.85 1.33 0.74 2.60 2.04 -1.53 -3.18 117.51 118.65 2wpd h ILE 24 Ca -0.01 -2.95 -0.04 0.00 1.00 0.00 0.00 64.86 62.86 2wpd h ILE 24 Cb 0.60 2.83 0.01 0.00 -0.74 0.00 0.00 36.82 39.51 2wpd h ILE 24 CO 0.02 0.85 -0.37 1.23 0.00 0.00 0.00 178.15 179.87 2wpd h GLY 25 N 1.85 -1.08 1.70 5.37 0.00 -1.52 -2.29 103.07 107.10 2wpd h GLY 25 Ca -0.18 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.59 2wpd h GLY 25 CO 0.17 -0.39 0.11 -2.22 0.00 0.00 0.00 176.54 174.22 2wpd h ILE 26 N -1.01 0.68 0.02 2.60 2.04 -1.67 -1.93 117.51 118.24 2wpd h ILE 26 Ca -0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2wpd h ILE 26 Cb 0.78 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2wpd h ILE 26 CO 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.30 2wpd h ALA 27 N 1.89 -0.02 -0.55 1.87 0.00 -1.47 -1.08 119.26 119.91 2wpd h ALA 27 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wpd h ALA 27 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wpd h ALA 27 CO -0.00 -0.48 0.13 0.82 0.00 0.00 0.00 179.25 179.73 2wpd h ILE 28 N -0.09 1.24 -0.81 0.00 2.04 -0.79 0.18 117.51 119.28 2wpd h ILE 28 Ca -0.00 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 2wpd h ILE 28 Cb 0.08 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2wpd h ILE 28 CO 0.00 0.32 0.36 0.58 0.00 0.00 0.00 178.15 179.42 2wpd h VAL 29 N 0.77 1.26 0.04 1.67 2.07 -1.39 -1.88 116.25 118.80 2wpd h VAL 29 Ca 0.17 -0.76 -0.23 0.00 0.82 0.00 0.00 66.70 66.70 2wpd h VAL 29 Cb 0.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2wpd h VAL 29 CO 0.00 0.32 -1.01 0.15 0.02 0.00 0.00 177.57 177.06 2wpd h PHE 30 N 1.17 0.37 -0.11 1.57 3.04 -1.04 -3.24 116.94 118.71 2wpd h PHE 30 Ca 0.28 -0.23 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 2wpd h PHE 30 Cb 0.16 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2wpd h PHE 30 CO 0.02 1.10 -0.16 0.00 -2.02 0.00 0.00 178.31 177.25 2wpd h ALA 31 N 0.82 1.54 -0.37 2.41 0.00 -0.31 -2.48 119.26 120.87 2wpd h ALA 31 Ca -0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2wpd h ALA 31 Cb 1.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2wpd h ALA 31 CO 0.16 0.33 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 2wpd h ALA 32 N 1.68 1.05 -0.19 0.00 0.00 -1.37 -1.73 119.26 118.70 2wpd h ALA 32 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2wpd h ALA 32 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wpd h ALA 32 CO 0.02 0.58 -0.15 1.25 0.00 0.00 0.00 179.25 180.95 2wpd h LEU 33 N 0.61 0.30 -0.16 0.00 5.85 -1.53 0.06 115.31 120.44 2wpd h LEU 33 Ca 0.10 -0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 2wpd h LEU 33 Cb 0.60 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2wpd h LEU 33 CO 0.04 0.48 -0.74 0.40 -0.34 0.00 0.00 178.44 178.28 2wpd h ILE 34 N 0.29 1.28 -0.00 4.05 2.04 -1.29 -2.77 117.51 121.11 2wpd h ILE 34 Ca 0.06 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2wpd h ILE 34 Cb 0.44 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2wpd h ILE 34 CO 0.03 0.61 -0.05 -3.20 0.00 0.00 0.00 178.15 175.54 2wpd n ASN 35 N -3.97 0.25 -0.05 1.72 5.15 -0.69 -3.25 115.26 114.42 2wpd n ASN 35 Ca -0.07 -0.48 -0.21 0.00 -0.60 0.00 0.00 54.58 53.22 2wpd n ASN 35 Cb 0.73 -0.14 -0.13 0.00 -0.53 0.00 0.00 39.78 39.71 2wpd n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wpd n GLY 36 N 1.24 -0.52 0.17 8.20 0.00 -0.01 -4.25 105.19 110.02 2wpd n GLY 36 Ca 0.16 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2wpd n GLY 36 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2wpd h VAL 37 N -0.12 0.00 0.00 1.61 -1.51 -1.59 -2.46 116.25 112.18 2wpd h VAL 37 Ca -0.48 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 2wpd h VAL 37 Cb 1.90 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 2wpd h VAL 37 CO -0.02 0.00 -0.08 -1.20 -1.23 0.00 0.00 177.57 175.04 2wpd n SER 38 N -2.76 0.20 -0.03 4.19 7.64 -1.20 -2.79 113.62 118.87 2wpd n SER 38 Ca 0.04 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.35 2wpd n SER 38 Cb 0.49 -0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2wpd n SER 38 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2wpd n ARG 39 N -1.63 4.64 -2.90 1.43 0.63 -1.18 -4.82 116.66 112.82 2wpd n ARG 39 Ca 0.07 -0.15 -0.13 0.00 -0.92 0.00 0.00 57.85 56.71 2wpd n ARG 39 Cb 0.36 -0.73 0.01 0.00 0.45 0.00 0.00 32.46 32.55 2wpd n ARG 39 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wpd n ASN 40 N -0.81 -1.77 0.33 6.15 5.15 -0.93 -4.99 115.26 118.38 2wpd n ASN 40 Ca 0.01 -3.14 0.18 0.00 -0.60 0.00 0.00 54.58 51.03 2wpd n ASN 40 Cb 0.06 0.99 0.98 0.00 -0.53 0.00 0.00 39.78 41.28 2wpd n ASN 40 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wpd h PRO 41 N 3.88 0.00 0.20 1.20 0.13 -1.79 -2.95 132.00 132.68 2wpd h PRO 41 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2wpd h PRO 41 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wpd h PRO 41 CO 0.36 0.00 -0.13 1.03 -0.23 0.00 0.00 178.00 179.03 2wpd h SER 42 N 0.00 -0.33 -3.05 1.44 0.87 -1.94 -3.41 113.55 107.13 2wpd h SER 42 Ca 0.00 0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 60.02 2wpd h SER 42 Cb 0.35 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2wpd h SER 42 CO 0.00 -0.19 0.75 -0.63 -0.53 0.00 0.00 176.83 176.23 2wpd s ILE 43 N -3.76 4.32 0.13 2.23 -1.09 -1.11 -4.80 121.20 117.13 2wpd s ILE 43 Ca -0.05 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 2wpd s ILE 43 Cb 0.01 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2wpd s ILE 43 CO 0.16 -0.05 0.00 1.17 -1.23 0.00 0.00 174.94 174.99 2wpd n LYS 44 N 5.62 0.00 0.00 2.79 4.81 -1.26 -4.79 118.16 125.33 2wpd n LYS 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2wpd n LYS 44 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 2wpd n LYS 44 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wpd n ASP 45 N -2.92 0.75 0.00 3.14 8.00 -1.26 -1.71 116.55 122.54 2wpd n ASP 45 Ca 0.00 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.94 2wpd n ASP 45 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2wpd n ASP 45 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2wpd n THR 46 N 0.08 0.00 -0.02 -3.53 -1.04 -1.26 -4.70 114.28 103.82 2wpd n THR 46 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2wpd n THR 46 Cb 0.19 -0.55 -0.13 0.00 -1.82 0.00 0.00 70.33 68.02 2wpd n THR 46 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wpd n VAL 47 N -2.33 1.50 -0.08 12.58 0.31 -1.15 -4.01 118.33 125.15 2wpd n VAL 47 Ca 0.00 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.45 2wpd n VAL 47 Cb 0.46 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 2wpd n VAL 47 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wpd h PHE 48 N 0.00 0.40 -0.37 3.52 3.04 -1.64 -0.32 116.94 121.56 2wpd h PHE 48 Ca -0.27 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.62 2wpd h PHE 48 Cb 1.94 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 40.31 2wpd h PHE 48 CO 0.00 0.36 0.08 -1.00 -2.02 0.00 0.00 178.31 175.73 2wpd h PRO 49 N 0.32 0.60 -0.08 6.41 0.13 -1.80 -2.74 132.00 134.84 2wpd h PRO 49 Ca 0.10 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2wpd h PRO 49 Cb 0.11 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 2wpd h PRO 49 CO -0.01 0.65 -0.34 0.00 -0.23 0.00 0.00 178.00 178.07 2wpd h MET 50 N 0.46 0.16 -0.92 0.86 -0.00 -1.68 -2.77 114.93 111.02 2wpd h MET 50 Ca 0.12 -0.06 0.03 0.00 -0.00 0.00 0.00 59.70 59.78 2wpd h MET 50 Cb 0.32 -0.01 -0.05 0.00 -0.00 0.00 0.00 31.60 31.86 2wpd h MET 50 CO 0.00 0.48 0.61 0.00 -0.00 0.00 0.00 176.91 178.00 2wpd h ALA 51 N 1.52 1.20 -0.33 -3.00 0.00 -0.78 -1.45 119.26 116.43 2wpd h ALA 51 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2wpd h ALA 51 Cb 0.67 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2wpd h ALA 51 CO 0.05 0.51 -0.09 0.82 0.00 0.00 0.00 179.25 180.54 2wpd h ILE 52 N 1.20 1.23 -0.71 0.00 2.04 -1.21 -2.62 117.51 117.42 2wpd h ILE 52 Ca 0.36 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2wpd h ILE 52 Cb -0.05 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2wpd h ILE 52 CO -0.10 0.33 0.35 -0.07 0.00 0.00 0.00 178.15 178.66 2wpd h LEU 53 N 0.51 0.91 -1.52 1.44 3.38 -1.12 -1.39 115.31 117.51 2wpd h LEU 53 Ca 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wpd h LEU 53 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wpd h LEU 53 CO 0.03 0.76 -0.18 1.23 0.09 0.00 0.00 178.44 180.37 2wpd h GLY 54 N 1.06 0.00 0.80 0.83 0.00 -1.05 -3.07 103.07 101.64 2wpd h GLY 54 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2wpd h GLY 54 CO -0.03 0.00 -0.10 -2.75 0.00 0.00 0.00 176.54 173.65 2wpd h PHE 55 N 0.00 -0.27 0.00 5.60 3.57 -1.02 -1.97 116.94 122.86 2wpd h PHE 55 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2wpd h PHE 55 Cb 0.54 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2wpd h PHE 55 CO 0.00 -0.01 -0.07 0.00 -2.23 0.00 0.00 178.31 175.99 2wpd h ALA 56 N 0.25 1.62 -0.13 2.41 0.00 -1.48 0.42 119.26 122.35 2wpd h ALA 56 Ca -0.03 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2wpd h ALA 56 Cb 0.37 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wpd h ALA 56 CO 0.05 0.09 -0.80 -0.07 0.00 0.00 0.00 179.25 178.52 2wpd h LEU 57 N 0.00 0.88 0.00 0.00 3.38 -1.43 -3.12 115.31 115.02 2wpd h LEU 57 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2wpd h LEU 57 Cb 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2wpd h LEU 57 CO 0.01 1.38 -0.56 -1.28 0.09 0.00 0.00 178.44 178.08 2wpd h SER 58 N 0.49 0.00 1.12 -0.43 0.87 -0.75 -3.22 113.55 111.63 2wpd h SER 58 Ca -0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2wpd h SER 58 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2wpd h SER 58 CO 0.16 0.02 0.00 -0.08 -0.53 0.00 0.00 176.83 176.40 2wpd h GLU 59 N 0.00 0.00 0.12 2.24 4.57 -0.18 -3.25 114.58 118.07 2wpd h GLU 59 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2wpd h GLU 59 Cb 0.95 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.51 2wpd h GLU 59 CO 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 179.01 177.63 2wpd h ALA 60 N 2.25 -0.34 -0.00 2.92 0.00 -1.55 -1.31 119.26 121.22 2wpd h ALA 60 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wpd h ALA 60 Cb 0.56 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wpd h ALA 60 CO 0.00 -0.73 0.01 1.79 0.00 0.00 0.00 179.25 180.32 2wpd h THR 61 N -0.38 0.20 -0.01 0.00 1.35 -1.79 0.52 112.91 112.80 2wpd h THR 61 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2wpd h THR 61 Cb 0.40 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2wpd h THR 61 CO -0.10 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 175.63 2wpd n GLY 62 N -1.18 -0.31 0.36 5.82 0.00 -0.56 -3.56 105.19 105.76 2wpd n GLY 62 Ca -0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 2wpd n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wpd n LEU 63 N -0.25 1.65 0.22 0.99 4.77 0.07 -4.13 117.00 120.33 2wpd n LEU 63 Ca 0.15 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 2wpd n LEU 63 Cb 0.36 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2wpd n LEU 63 CO 0.22 0.47 0.69 -0.26 -1.33 0.00 0.00 177.39 177.18 2wpd h PHE 64 N -0.53 -0.70 0.00 -1.77 0.04 -1.45 0.46 116.94 112.99 2wpd h PHE 64 Ca -0.45 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.31 2wpd h PHE 64 Cb 1.45 0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.86 2wpd h PHE 64 CO -0.04 -0.40 -0.03 0.00 -0.60 0.00 0.00 178.31 177.24 2wpd h LEU 66 N 0.00 0.52 -0.67 0.00 5.85 -1.52 -3.26 115.31 116.24 2wpd h LEU 66 Ca -0.00 -0.47 -0.14 0.00 0.84 0.00 0.00 57.88 58.11 2wpd h LEU 66 Cb 0.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2wpd h LEU 66 CO 0.00 1.30 -0.66 0.24 -0.34 0.00 0.00 178.44 178.98 2wpd h MET 67 N 0.18 0.00 -0.26 1.25 2.86 -0.12 -3.12 114.93 115.72 2wpd h MET 67 Ca -0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2wpd h MET 67 Cb 1.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 2wpd h MET 67 CO 0.18 0.66 0.01 0.28 1.06 0.00 0.00 176.91 179.10 2wpd h VAL 68 N 0.00 1.16 -0.18 -2.22 2.07 -1.45 -1.80 116.25 113.83 2wpd h VAL 68 Ca -0.01 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 2wpd h VAL 68 Cb 1.18 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2wpd h VAL 68 CO 0.09 0.21 -0.50 0.77 0.02 0.00 0.00 177.57 178.15 2wpd h SER 69 N 0.38 0.54 0.94 0.57 4.64 -1.60 -2.98 113.55 116.04 2wpd h SER 69 Ca 0.09 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2wpd h SER 69 Cb 0.25 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2wpd h SER 69 CO 0.01 0.95 -0.45 -0.26 -0.87 0.00 0.00 176.83 176.21 2wpd h PHE 70 N 0.39 0.00 -0.03 4.77 0.04 -1.49 -2.56 116.94 118.05 2wpd h PHE 70 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2wpd h PHE 70 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 2wpd h PHE 70 CO 0.04 0.45 0.00 1.28 -0.60 0.00 0.00 178.31 179.48 2wpd n LEU 71 N -3.49 0.18 0.00 1.54 4.77 -0.72 0.06 117.00 119.34 2wpd n LEU 71 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wpd n LEU 71 Cb 0.58 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2wpd n LEU 71 CO 0.38 0.05 -0.01 0.18 -1.33 0.00 0.00 177.39 176.66 2wpd n LEU 72 N -0.41 0.00 -0.01 2.23 4.77 -1.07 -1.28 117.00 121.23 2wpd n LEU 72 Ca 0.02 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2wpd n LEU 72 Cb 0.03 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2wpd n LEU 72 CO 0.01 0.00 -0.59 0.18 -1.33 0.00 0.00 177.39 175.66 2wpd n LEU 73 N -0.46 0.55 -0.36 2.23 4.77 -0.99 -4.54 117.00 118.20 2wpd n LEU 73 Ca 0.00 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2wpd n LEU 73 Cb 0.00 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.14 2wpd n LEU 73 CO 0.00 0.12 0.60 0.49 -1.33 0.00 0.00 177.39 177.26 2wpd n PHE 74 N -3.05 0.31 0.00 -1.77 3.72 -0.23 -4.93 117.46 111.51 2wpd n PHE 74 Ca -0.05 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 2wpd n PHE 74 Cb 0.54 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2wpd n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wpd n GLY 75 N -0.58 1.45 3.83 1.37 0.00 0.11 -4.90 105.19 106.48 2wpd n GLY 75 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wpd n GLY 75 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70