#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pip s PRO 2 N 0.00 0.71 0.17 6.28 0.04 -1.26 -5.00 135.00 135.94 1pip s PRO 2 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1pip s PRO 2 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1pip s PRO 2 CO 0.00 -2.49 1.40 0.93 0.04 0.00 0.00 177.00 176.88 1pip h GLU 3 N -1.71 0.29 -5.69 4.56 5.08 -1.99 -3.44 114.58 111.69 1pip h GLU 3 Ca -0.51 -0.28 -0.58 0.00 -1.00 0.00 0.00 59.36 56.99 1pip h GLU 3 Cb 1.33 0.07 -0.30 0.00 0.50 0.00 0.00 28.75 30.35 1pip h GLU 3 CO 0.58 0.96 -0.85 0.71 -1.00 0.00 0.00 179.01 179.42 1pip s TYR 4 N -3.37 1.77 -0.02 4.33 2.02 -1.26 -3.60 117.35 117.22 1pip s TYR 4 Ca -0.04 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1pip s TYR 4 Cb 0.10 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 1pip s TYR 4 CO 0.83 -0.09 -0.07 0.08 -1.57 0.00 0.00 175.55 174.74 1pip s VAL 5 N -0.27 0.59 -0.33 0.71 1.01 -0.76 -4.96 120.40 116.40 1pip s VAL 5 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1pip s VAL 5 Cb -0.09 -0.52 0.17 0.00 0.00 0.00 0.00 36.38 35.93 1pip s VAL 5 CO 0.01 0.19 0.45 -0.62 0.00 0.00 0.00 175.10 175.12 1pip s ASP 6 N 0.13 0.14 0.58 3.32 -1.08 -1.26 -1.16 116.67 117.36 1pip s ASP 6 Ca -0.02 -0.68 0.39 0.00 -0.52 0.00 0.00 52.55 51.72 1pip s ASP 6 Cb -0.06 1.17 2.01 0.00 -1.46 0.00 0.00 42.92 44.57 1pip s ASP 6 CO -0.00 -0.30 2.18 -0.50 0.52 0.00 0.00 175.17 177.07 1pip h TRP 7 N 7.72 0.00 -0.15 -5.34 4.06 -1.51 -0.01 115.95 120.72 1pip h TRP 7 Ca -0.03 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 1pip h TRP 7 Cb 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1pip h TRP 7 CO 0.26 0.00 -0.25 0.00 -3.56 0.00 0.00 178.44 174.90 1pip h ARG 8 N 0.00 0.27 0.00 0.49 3.08 -1.92 -0.88 114.38 115.41 1pip h ARG 8 Ca 0.00 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1pip h ARG 8 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1pip h ARG 8 CO 0.00 0.50 -0.26 1.96 -1.07 0.00 0.00 179.97 181.10 1pip h GLN 9 N 0.24 0.00 -0.25 0.04 4.20 -1.39 -2.26 115.11 115.69 1pip h GLN 9 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1pip h GLN 9 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1pip h GLN 9 CO 0.04 0.26 0.00 1.63 -0.67 0.00 0.00 178.83 180.09 1pip n LYS 10 N -3.40 1.74 -3.42 1.46 4.76 -1.00 -4.92 118.16 113.39 1pip n LYS 10 Ca 0.00 -1.13 -0.24 0.00 -2.87 0.00 0.00 58.31 54.07 1pip n LYS 10 Cb 0.47 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.39 1pip n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pip n GLY 11 N 1.07 -0.54 0.64 0.72 0.00 -0.85 -4.93 105.19 101.31 1pip n GLY 11 Ca 0.14 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.42 1pip n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pip n ALA 12 N -4.45 2.25 -2.60 4.61 0.00 -0.37 -4.77 120.51 115.17 1pip n ALA 12 Ca -0.03 -1.04 -0.23 0.00 0.00 0.00 0.00 53.44 52.14 1pip n ALA 12 Cb 0.58 -0.45 -0.15 0.00 0.00 0.00 0.00 19.45 19.42 1pip n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pip s VAL 13 N -1.00 1.13 0.89 0.00 0.11 -1.26 -3.61 120.40 116.67 1pip s VAL 13 Ca 0.23 -0.60 -0.12 0.00 -2.93 0.00 0.00 61.98 58.56 1pip s VAL 13 Cb 0.12 -0.94 0.18 0.00 -1.53 0.00 0.00 36.38 34.21 1pip s VAL 13 CO 0.16 0.32 1.23 0.42 -3.33 0.00 0.00 175.10 173.90 1pip s THR 14 N -0.29 2.04 0.71 5.04 -4.23 -1.26 -4.94 115.64 112.71 1pip s THR 14 Ca 0.05 -0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.23 1pip s THR 14 Cb -0.06 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1pip s THR 14 CO -0.00 0.00 0.96 -2.65 -0.54 0.00 0.00 174.62 172.39 1pip n PRO 15 N -3.50 0.53 -2.31 3.99 -0.02 -1.26 -4.94 135.00 127.49 1pip n PRO 15 Ca 0.15 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1pip n PRO 15 Cb 0.60 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1pip n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pip s VAL 16 N -1.80 3.28 0.46 -1.45 1.01 -1.26 -5.03 120.40 115.61 1pip s VAL 16 Ca 0.73 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1pip s VAL 16 Cb -0.35 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1pip s VAL 16 CO 0.50 0.23 0.50 -0.54 0.00 0.00 0.00 175.10 175.79 1pip s LYS 17 N -0.89 2.54 -0.12 2.72 -0.14 -1.26 -4.77 119.74 117.81 1pip s LYS 17 Ca 0.50 -1.54 0.01 0.00 -1.36 0.00 0.00 55.97 53.58 1pip s LYS 17 Cb -0.35 -2.48 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 1pip s LYS 17 CO 0.42 -0.38 -0.15 1.21 -0.76 0.00 0.00 175.35 175.69 1pip s ASN 18 N -4.30 2.53 0.25 2.83 3.84 -1.26 -3.44 114.94 115.40 1pip s ASN 18 Ca 0.50 -0.45 0.26 0.00 0.21 0.00 0.00 52.86 53.38 1pip s ASN 18 Cb -0.05 -1.12 0.79 0.00 -0.55 0.00 0.00 41.25 40.32 1pip s ASN 18 CO 0.30 -0.02 1.76 0.06 -2.79 0.00 0.00 177.10 176.41 1pip h GLN 19 N 7.69 0.00 0.00 0.43 3.07 -1.14 -3.49 115.11 121.68 1pip h GLN 19 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1pip h GLN 19 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1pip h GLN 19 CO 0.50 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.83 1pip n GLY 20 N 1.09 0.11 0.35 0.06 0.00 -1.26 -3.29 105.19 102.24 1pip n GLY 20 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1pip n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pip n SER 21 N -1.40 0.59 -4.73 1.61 7.64 -1.26 -4.77 113.62 111.30 1pip n SER 21 Ca 0.00 -1.72 -0.35 0.00 1.01 0.00 0.00 58.87 57.81 1pip n SER 21 Cb 0.00 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 1pip n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pip n GLY 23 N 2.49 3.72 1.23 0.00 0.00 -1.26 -4.54 105.19 106.83 1pip n GLY 23 Ca -0.18 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1pip n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pip n SER 24 N 4.79 4.38 -0.30 1.61 3.41 -1.26 -3.02 113.62 123.23 1pip n SER 24 Ca 0.59 -2.76 0.13 0.00 -0.26 0.00 0.00 58.87 56.57 1pip n SER 24 Cb 0.26 -0.54 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 1pip n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pip h TRP 26 N 0.17 0.86 0.15 0.00 5.08 -1.83 0.18 115.95 120.57 1pip h TRP 26 Ca 0.55 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 60.34 1pip h TRP 26 Cb 1.12 -0.27 0.02 0.00 -3.00 0.00 0.00 29.16 27.03 1pip h TRP 26 CO -0.30 0.35 -0.90 0.00 -1.28 0.00 0.00 178.44 176.31 1pip h ALA 27 N 1.59 -0.10 -0.24 0.11 0.00 -1.14 -2.37 119.26 117.11 1pip h ALA 27 Ca 0.43 -0.72 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1pip h ALA 27 Cb 0.58 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1pip h ALA 27 CO -0.19 0.42 -0.10 0.74 0.00 0.00 0.00 179.25 180.13 1pip h PHE 28 N -0.29 -0.22 -0.16 0.00 -1.00 -1.07 -1.01 116.94 113.19 1pip h PHE 28 Ca -0.16 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.69 1pip h PHE 28 Cb 1.71 0.14 -0.04 0.00 3.61 0.00 0.00 35.95 41.36 1pip h PHE 28 CO 0.19 -0.15 -0.11 1.03 -1.61 0.00 0.00 178.31 177.65 1pip h SER 29 N -0.06 -0.36 -0.85 2.17 0.87 -0.73 -2.07 113.55 112.53 1pip h SER 29 Ca 0.12 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1pip h SER 29 Cb 0.24 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1pip h SER 29 CO -0.28 -0.15 0.43 0.00 -0.53 0.00 0.00 176.83 176.30 1pip h ALA 30 N 1.01 1.15 -0.44 6.23 0.00 -1.26 -2.89 119.26 123.07 1pip h ALA 30 Ca 0.10 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1pip h ALA 30 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pip h ALA 30 CO -0.23 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 179.71 1pip h VAL 31 N 1.20 1.27 0.00 0.00 2.07 -0.86 -2.27 116.25 117.66 1pip h VAL 31 Ca 0.29 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1pip h VAL 31 Cb 0.09 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1pip h VAL 31 CO -0.04 0.47 -0.16 1.62 0.02 0.00 0.00 177.57 179.48 1pip h VAL 32 N 0.78 0.68 0.00 2.57 3.04 -1.17 -0.51 116.25 121.64 1pip h VAL 32 Ca 0.10 -0.68 -0.16 0.00 -1.01 0.00 0.00 66.70 64.95 1pip h VAL 32 Cb 0.80 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1pip h VAL 32 CO 0.07 0.16 -0.76 0.71 -1.01 0.00 0.00 177.57 176.73 1pip h THR 33 N 0.00 1.51 0.03 3.17 1.35 -1.41 -2.04 112.91 115.52 1pip h THR 33 Ca -0.00 -2.64 -0.00 0.00 -0.55 0.00 0.00 66.41 63.22 1pip h THR 33 Cb 0.41 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1pip h THR 33 CO 0.02 0.75 -0.01 0.40 -0.25 0.00 0.00 175.52 176.42 1pip h ILE 34 N 0.00 1.33 -0.83 6.82 1.08 -0.70 -2.02 117.51 123.19 1pip h ILE 34 Ca -0.01 -1.15 0.14 0.00 -0.39 0.00 0.00 64.86 63.45 1pip h ILE 34 Cb 1.38 2.09 -0.09 0.00 -3.07 0.00 0.00 36.82 37.13 1pip h ILE 34 CO 0.10 0.29 0.43 -0.33 -0.69 0.00 0.00 178.15 177.95 1pip h GLU 35 N -0.54 0.62 0.06 2.37 5.08 -1.12 -1.94 114.58 119.11 1pip h GLU 35 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pip h GLU 35 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1pip h GLU 35 CO 0.01 0.41 -0.03 0.78 -1.00 0.00 0.00 179.01 179.18 1pip h GLY 36 N 0.64 -0.08 1.80 -3.84 0.00 -1.40 -2.62 103.07 97.57 1pip h GLY 36 Ca 0.44 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1pip h GLY 36 CO -0.34 -0.03 -0.29 1.19 0.00 0.00 0.00 176.54 177.07 1pip h ILE 37 N -0.48 1.25 -0.40 2.60 6.09 -1.14 -1.36 117.51 124.07 1pip h ILE 37 Ca -0.01 -1.20 -0.05 0.00 -1.37 0.00 0.00 64.86 62.24 1pip h ILE 37 Cb 0.43 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1pip h ILE 37 CO 0.01 0.36 0.07 0.40 -3.07 0.00 0.00 178.15 175.92 1pip h ILE 38 N 0.21 1.24 0.03 2.19 1.08 -1.41 -0.37 117.51 120.47 1pip h ILE 38 Ca 0.03 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1pip h ILE 38 Cb 0.62 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1pip h ILE 38 CO 0.04 0.29 -0.01 0.50 -0.69 0.00 0.00 178.15 178.28 1pip h LYS 39 N 0.51 -0.04 -0.68 2.37 3.11 -1.21 0.32 116.57 120.95 1pip h LYS 39 Ca 0.12 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.09 1pip h LYS 39 Cb 0.36 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.51 1pip h LYS 39 CO 0.01 0.14 0.23 0.82 -2.81 0.00 0.00 179.45 177.84 1pip h ILE 40 N -0.21 0.67 0.06 2.00 2.04 -1.11 0.34 117.51 121.30 1pip h ILE 40 Ca -0.00 -0.13 -0.27 0.00 1.00 0.00 0.00 64.86 65.45 1pip h ILE 40 Cb 0.20 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1pip h ILE 40 CO 0.01 0.07 -1.41 -0.09 0.00 0.00 0.00 178.15 176.73 1pip h ARG 41 N 0.38 0.12 0.00 2.37 9.65 -0.93 -3.40 114.38 122.57 1pip h ARG 41 Ca 0.36 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1pip h ARG 41 Cb 0.53 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1pip h ARG 41 CO -0.38 0.94 -0.25 0.25 2.80 0.00 0.00 179.97 183.33 1pip n THR 42 N -3.33 0.00 -0.34 0.20 -2.24 0.11 -4.98 114.28 103.70 1pip n THR 42 Ca -0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1pip n THR 42 Cb 1.01 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 1pip n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pip n GLY 43 N 1.14 1.57 3.57 3.38 0.00 0.12 -5.02 105.19 109.95 1pip n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1pip n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pip s ASN 44 N -3.24 5.14 -0.21 1.61 0.02 -1.25 -4.93 114.94 112.07 1pip s ASN 44 Ca 0.00 -0.02 -0.13 0.00 -1.02 0.00 0.00 52.86 51.69 1pip s ASN 44 Cb 0.00 -1.81 -0.05 0.00 0.02 0.00 0.00 41.25 39.41 1pip s ASN 44 CO 0.00 0.19 0.27 -0.22 0.02 0.00 0.00 177.10 177.36 1pip s LEU 45 N 0.22 4.15 0.12 0.60 2.96 -1.26 -3.05 118.68 122.42 1pip s LEU 45 Ca 0.00 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1pip s LEU 45 Cb -0.13 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1pip s LEU 45 CO 0.02 0.02 -0.09 0.20 -1.32 0.00 0.00 176.35 175.18 1pip s ASN 46 N 0.94 1.50 -0.11 3.68 -0.87 -1.26 -5.06 114.94 113.75 1pip s ASN 46 Ca 0.13 -0.99 -0.08 0.00 -1.57 0.00 0.00 52.86 50.35 1pip s ASN 46 Cb -0.14 0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.08 1pip s ASN 46 CO 0.05 -0.38 0.17 -1.10 -2.57 0.00 0.00 177.10 173.28 1pip s GLN 47 N -3.68 3.50 0.33 -0.60 -0.21 -1.26 -4.70 119.66 113.04 1pip s GLN 47 Ca 0.14 -0.06 0.10 0.00 0.02 0.00 0.00 55.36 55.55 1pip s GLN 47 Cb 0.03 -3.19 -0.06 0.00 1.00 0.00 0.00 33.01 30.78 1pip s GLN 47 CO -0.02 0.77 -0.10 0.71 -2.12 0.00 0.00 175.29 174.53 1pip s TYR 48 N -1.03 2.40 -0.30 0.91 2.02 -1.26 -1.62 117.35 118.47 1pip s TYR 48 Ca 0.16 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 1pip s TYR 48 Cb -0.13 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1pip s TYR 48 CO 0.05 0.59 0.84 0.45 -1.57 0.00 0.00 175.55 175.92 1pip s SER 49 N -3.61 6.73 0.07 2.29 0.15 -0.58 -4.22 113.70 114.54 1pip s SER 49 Ca 0.32 0.78 -0.13 0.00 0.70 0.00 0.00 55.95 57.62 1pip s SER 49 Cb 0.01 -2.43 -0.24 0.00 -1.71 0.00 0.00 66.02 61.65 1pip s SER 49 CO 0.17 -0.64 1.18 -0.33 1.20 0.00 0.00 173.24 174.81 1pip h GLU 50 N 8.04 0.66 -0.90 5.44 3.07 -1.86 -3.28 114.58 125.75 1pip h GLU 50 Ca -0.23 -0.76 0.05 0.00 -0.50 0.00 0.00 59.36 57.92 1pip h GLU 50 Cb 1.09 0.23 -0.06 0.00 -0.84 0.00 0.00 28.75 29.17 1pip h GLU 50 CO 0.91 1.33 0.59 0.37 -1.40 0.00 0.00 179.01 180.80 1pip h GLN 51 N 0.35 1.03 -0.62 2.33 5.75 -1.84 -0.51 115.11 121.60 1pip h GLN 51 Ca -0.14 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 1pip h GLN 51 Cb 1.75 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 30.04 1pip h GLN 51 CO 0.21 0.68 0.17 1.49 -2.65 0.00 0.00 178.83 178.74 1pip h GLU 52 N 1.06 0.98 -0.28 1.69 4.81 -1.83 -0.48 114.58 120.54 1pip h GLU 52 Ca 0.38 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1pip h GLU 52 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1pip h GLU 52 CO -0.13 0.88 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.82 1pip h LEU 53 N 0.90 0.61 -0.99 1.64 4.07 -1.50 0.96 115.31 121.01 1pip h LEU 53 Ca 0.20 -0.41 0.02 0.00 0.08 0.00 0.00 57.88 57.77 1pip h LEU 53 Cb 0.33 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1pip h LEU 53 CO -0.00 0.89 0.65 0.25 -1.08 0.00 0.00 178.44 179.15 1pip h LEU 54 N 0.33 1.11 0.00 1.67 5.85 -0.82 -0.89 115.31 122.57 1pip h LEU 54 Ca 0.06 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1pip h LEU 54 Cb 0.66 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1pip h LEU 54 CO 0.04 0.79 -0.92 0.44 -0.34 0.00 0.00 178.44 178.45 1pip h ASP 55 N 1.31 0.00 0.00 1.25 3.32 -0.99 -3.40 116.42 117.91 1pip h ASP 55 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1pip h ASP 55 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1pip h ASP 55 CO -0.10 0.76 -0.68 0.00 -1.72 0.00 0.00 179.24 177.51 1pip s ASP 57 N -2.25 6.26 0.44 0.00 2.15 -0.37 -4.87 116.67 118.04 1pip s ASP 57 Ca 0.03 -0.42 0.21 0.00 0.43 0.00 0.00 52.55 52.80 1pip s ASP 57 Cb 0.08 -2.50 1.02 0.00 -0.30 0.00 0.00 42.92 41.22 1pip s ASP 57 CO 0.47 -1.54 1.90 0.03 -0.17 0.00 0.00 175.17 175.86 1pip h ARG 58 N 9.67 0.00 0.00 4.34 -0.00 -1.90 -2.53 114.38 123.96 1pip h ARG 58 Ca -0.27 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.14 1pip h ARG 58 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.02 1pip h ARG 58 CO 1.20 0.25 -0.35 0.00 0.00 0.00 0.00 179.97 181.07 1pip h ARG 59 N 0.00 0.00 -6.94 0.04 3.08 -1.97 -3.46 114.38 105.13 1pip h ARG 59 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1pip h ARG 59 Cb 0.59 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.70 1pip h ARG 59 CO 0.03 0.35 0.02 -1.12 -1.07 0.00 0.00 179.97 178.18 1pip s SER 60 N -6.34 4.82 -0.31 7.04 0.01 -0.95 -4.91 113.70 113.06 1pip s SER 60 Ca 0.02 -0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.08 1pip s SER 60 Cb 0.09 -0.34 0.49 0.00 0.21 0.00 0.00 66.02 66.48 1pip s SER 60 CO 0.69 -1.50 1.45 -1.22 0.41 0.00 0.00 173.24 173.06 1pip n TYR 61 N -2.56 1.32 0.00 2.43 4.01 0.16 -4.94 117.16 117.58 1pip n TYR 61 Ca 0.12 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.10 1pip n TYR 61 Cb 0.60 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1pip n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pip n GLY 62 N -1.07 3.41 3.78 2.72 0.00 -1.22 -4.12 105.19 108.70 1pip n GLY 62 Ca 0.35 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1pip n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pip n ASN 64 N -3.81 -2.82 0.00 0.00 2.04 -1.25 -4.73 115.26 104.69 1pip n ASN 64 Ca 0.07 0.26 0.00 0.00 -0.44 0.00 0.00 54.58 54.46 1pip n ASN 64 Cb 0.59 -2.70 0.00 0.00 -2.53 0.00 0.00 39.78 35.14 1pip n ASN 64 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pip n GLY 65 N -0.25 3.94 0.00 4.83 0.00 -1.17 -4.85 105.19 107.69 1pip n GLY 65 Ca -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1pip n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pip n GLY 66 N -1.62 -1.13 2.91 -0.02 0.00 -1.26 0.39 105.19 104.47 1pip n GLY 66 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1pip n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pip s TYR 67 N -3.00 1.56 0.36 1.61 2.02 -1.26 -4.82 117.35 113.82 1pip s TYR 67 Ca 0.00 -0.81 0.27 0.00 -0.37 0.00 0.00 57.07 56.17 1pip s TYR 67 Cb 0.00 -1.27 1.37 0.00 -0.40 0.00 0.00 41.96 41.66 1pip s TYR 67 CO 0.00 -0.54 2.03 -1.00 -1.57 0.00 0.00 175.55 174.47 1pip h PRO 68 N 8.16 0.00 -0.21 -1.71 0.13 -1.97 -1.80 132.00 134.60 1pip h PRO 68 Ca -0.30 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1pip h PRO 68 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1pip h PRO 68 CO 0.42 0.14 -0.27 0.11 -0.23 0.00 0.00 178.00 178.16 1pip h TRP 69 N 0.00 0.46 -0.16 1.56 5.08 -1.95 0.29 115.95 121.23 1pip h TRP 69 Ca -0.00 -0.10 -0.05 0.00 1.08 0.00 0.00 58.89 59.82 1pip h TRP 69 Cb 0.41 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1pip h TRP 69 CO 0.00 0.65 -0.11 1.03 -1.28 0.00 0.00 178.44 178.73 1pip h SER 70 N 0.36 0.37 -0.09 0.11 0.87 -1.77 -2.27 113.55 111.13 1pip h SER 70 Ca 0.05 -0.45 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1pip h SER 70 Cb 0.67 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1pip h SER 70 CO 0.05 0.74 -0.03 0.00 -0.53 0.00 0.00 176.83 177.06 1pip h ALA 71 N 0.65 0.05 -0.58 6.23 0.00 -1.35 -2.23 119.26 122.03 1pip h ALA 71 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1pip h ALA 71 Cb 0.61 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1pip h ALA 71 CO 0.03 -0.50 0.38 -0.07 0.00 0.00 0.00 179.25 179.10 1pip h LEU 72 N -0.02 0.50 -0.17 0.00 3.38 -0.97 -2.81 115.31 115.22 1pip h LEU 72 Ca 0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1pip h LEU 72 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pip h LEU 72 CO -0.10 0.33 -0.05 -0.61 0.09 0.00 0.00 178.44 178.10 1pip h GLN 73 N 0.57 0.34 -0.76 1.13 4.15 -1.05 -2.78 115.11 116.71 1pip h GLN 73 Ca 0.25 -0.14 0.17 0.00 0.77 0.00 0.00 58.65 59.70 1pip h GLN 73 Cb 0.25 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 27.81 1pip h GLN 73 CO -0.07 0.62 0.23 -0.07 -1.93 0.00 0.00 178.83 177.61 1pip h LEU 74 N 0.04 0.11 -0.95 -2.39 3.38 -1.15 -1.09 115.31 113.25 1pip h LEU 74 Ca 0.04 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1pip h LEU 74 Cb 0.50 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pip h LEU 74 CO 0.02 -0.01 -0.22 0.58 0.09 0.00 0.00 178.44 178.90 1pip h VAL 75 N 0.32 1.26 -0.50 1.22 2.07 -1.47 0.29 116.25 119.44 1pip h VAL 75 Ca 0.44 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1pip h VAL 75 Cb 0.75 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1pip h VAL 75 CO -0.50 0.39 -0.12 0.00 0.02 0.00 0.00 177.57 177.36 1pip h ALA 76 N 1.31 0.69 -0.23 1.67 0.00 -1.06 -2.40 119.26 119.24 1pip h ALA 76 Ca 0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1pip h ALA 76 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pip h ALA 76 CO 0.05 0.60 -0.49 1.96 0.00 0.00 0.00 179.25 181.37 1pip h GLN 77 N 0.82 0.73 0.00 0.00 4.20 -1.07 -3.43 115.11 116.36 1pip h GLN 77 Ca 0.13 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1pip h GLN 77 Cb 0.69 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1pip h GLN 77 CO 0.05 1.11 0.00 0.66 -0.67 0.00 0.00 178.83 179.98 1pip n TYR 78 N -4.13 0.00 -0.47 2.96 4.01 0.10 -5.09 117.16 114.55 1pip n TYR 78 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1pip n TYR 78 Cb 0.59 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1pip n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pip n GLY 79 N 3.56 0.68 3.23 2.72 0.00 -0.92 -4.84 105.19 109.63 1pip n GLY 79 Ca 0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1pip n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pip s ILE 80 N -2.05 0.07 0.23 -0.61 2.07 0.19 -4.46 121.20 116.64 1pip s ILE 80 Ca 0.00 -0.55 0.03 0.00 -1.41 0.00 0.00 60.65 58.72 1pip s ILE 80 Cb 0.00 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 1pip s ILE 80 CO 0.00 -0.30 0.37 -1.00 -1.91 0.00 0.00 174.94 172.10 1pip s HIS 81 N -1.63 3.47 0.72 3.50 3.76 -1.26 -0.04 115.29 123.81 1pip s HIS 81 Ca -0.12 0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 54.74 1pip s HIS 81 Cb -0.04 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 32.01 1pip s HIS 81 CO 0.02 0.41 1.26 0.71 -0.85 0.00 0.00 174.74 176.29 1pip s TYR 82 N -1.96 1.94 0.31 1.40 2.02 -1.26 -1.53 117.35 118.27 1pip s TYR 82 Ca 0.36 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.64 1pip s TYR 82 Cb -0.10 -3.61 0.50 0.00 -0.40 0.00 0.00 41.96 38.35 1pip s TYR 82 CO 0.30 -2.92 1.84 -0.09 -1.57 0.00 0.00 175.55 173.11 1pip h ARG 83 N -0.13 0.65 -0.81 -0.62 2.43 -1.48 -2.28 114.38 112.14 1pip h ARG 83 Ca -0.49 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 58.63 1pip h ARG 83 Cb 1.32 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 1pip h ARG 83 CO 0.50 0.65 0.47 -0.91 -1.51 0.00 0.00 179.97 179.16 1pip h ASN 84 N 0.62 0.68 1.28 -3.80 -0.26 -1.91 -0.51 115.58 111.68 1pip h ASN 84 Ca 0.13 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.81 1pip h ASN 84 Cb 0.35 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1pip h ASN 84 CO 0.01 0.39 -0.75 0.71 -1.06 0.00 0.00 177.43 176.73 1pip h THR 85 N 0.80 0.67 -2.27 2.81 1.35 -1.80 -3.37 112.91 111.09 1pip h THR 85 Ca 0.39 -2.02 -0.59 0.00 -0.55 0.00 0.00 66.41 63.64 1pip h THR 85 Cb 0.33 2.24 -0.40 0.00 -1.73 0.00 0.00 68.15 68.59 1pip h THR 85 CO -0.24 0.38 -0.84 0.00 -0.25 0.00 0.00 175.52 174.57 1pip n TYR 86 N -3.09 1.37 -1.05 4.73 4.19 -0.92 -5.03 117.16 117.36 1pip n TYR 86 Ca -0.01 -3.82 -0.31 0.00 3.31 0.00 0.00 57.90 57.07 1pip n TYR 86 Cb 0.74 -0.36 0.12 0.00 0.49 0.00 0.00 39.34 40.33 1pip n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1pip s PRO 87 N -1.45 1.75 0.07 2.98 0.04 -0.23 -4.56 135.00 133.60 1pip s PRO 87 Ca 0.35 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 1pip s PRO 87 Cb 0.11 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 1pip s PRO 87 CO -0.10 -2.05 1.25 -0.47 0.04 0.00 0.00 177.00 175.66 1pip s TYR 88 N -2.74 3.37 -0.20 0.56 5.04 -1.26 -4.71 117.35 117.40 1pip s TYR 88 Ca 0.64 1.21 0.08 0.00 -2.44 0.00 0.00 57.07 56.56 1pip s TYR 88 Cb -0.20 -3.48 -0.10 0.00 0.35 0.00 0.00 41.96 38.52 1pip s TYR 88 CO 0.56 -1.55 0.26 0.39 -1.34 0.00 0.00 175.55 173.86 1pip n GLU 89 N 4.04 2.56 -1.47 4.97 1.02 -1.26 -5.01 120.64 125.48 1pip n GLU 89 Ca 0.10 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1pip n GLU 89 Cb 0.45 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1pip n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pip n GLY 90 N 1.57 0.90 3.28 0.62 0.00 -1.26 -4.98 105.19 105.32 1pip n GLY 90 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1pip n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pip s VAL 91 N -2.39 -0.00 0.16 1.61 0.11 -1.26 -4.55 120.40 114.07 1pip s VAL 91 Ca 0.00 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 1pip s VAL 91 Cb 0.00 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 1pip s VAL 91 CO 0.00 0.00 0.88 -1.58 -3.33 0.00 0.00 175.10 171.08 1pip s GLN 92 N 0.31 4.70 0.04 1.54 0.74 -1.26 -4.95 119.66 120.77 1pip s GLN 92 Ca -0.01 1.34 0.01 0.00 0.05 0.00 0.00 55.36 56.75 1pip s GLN 92 Cb -0.03 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.76 1pip s GLN 92 CO -0.01 0.42 0.03 0.54 -0.55 0.00 0.00 175.29 175.72 1pip n ARG 93 N 2.03 0.32 -1.65 1.67 1.74 -1.26 -5.06 116.66 114.46 1pip n ARG 93 Ca -0.02 -0.36 -0.40 0.00 -0.77 0.00 0.00 57.85 56.31 1pip n ARG 93 Cb 0.48 0.26 0.03 0.00 -1.02 0.00 0.00 32.46 32.21 1pip n ARG 93 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1pip n TYR 94 N -0.08 1.37 -2.20 -1.55 4.11 -1.26 -4.63 117.16 112.92 1pip n TYR 94 Ca 0.00 0.48 -0.42 0.00 -0.00 0.00 0.00 57.90 57.97 1pip n TYR 94 Cb 0.06 -2.24 -0.03 0.00 -0.00 0.00 0.00 39.34 37.13 1pip n TYR 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pip n ARG 96 N 4.73 1.27 -0.25 0.00 1.74 -1.26 -4.78 116.66 118.12 1pip n ARG 96 Ca 0.12 -2.60 0.01 0.00 -0.77 0.00 0.00 57.85 54.61 1pip n ARG 96 Cb 0.43 -1.47 0.14 0.00 -1.02 0.00 0.00 32.46 30.54 1pip n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pip h SER 97 N 0.11 0.46 -0.68 0.55 0.02 -1.94 -2.35 113.55 109.71 1pip h SER 97 Ca -0.00 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1pip h SER 97 Cb 1.02 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 1pip h SER 97 CO 0.00 0.26 0.35 0.03 -1.14 0.00 0.00 176.83 176.33 1pip h ARG 98 N 0.60 0.59 -0.06 3.45 3.08 -1.86 -2.24 114.38 117.94 1pip h ARG 98 Ca 0.35 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.26 1pip h ARG 98 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1pip h ARG 98 CO -0.27 0.39 -0.47 1.05 -1.07 0.00 0.00 179.97 179.61 1pip h GLU 99 N 0.61 0.14 -0.60 0.04 4.11 -1.79 -3.07 114.58 114.02 1pip h GLU 99 Ca 0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1pip h GLU 99 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pip h GLU 99 CO -0.24 0.58 0.00 1.63 0.07 0.00 0.00 179.01 181.05 1pip n LYS 100 N -3.98 2.49 0.00 1.06 5.02 -0.85 -5.02 118.16 116.88 1pip n LYS 100 Ca -0.02 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1pip n LYS 100 Cb 0.51 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1pip n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pip n GLY 101 N 0.69 0.33 3.79 0.72 0.00 -1.16 -4.87 105.19 104.69 1pip n GLY 101 Ca 0.14 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1pip n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pip s PRO 102 N 0.00 3.84 0.36 1.61 0.04 -1.26 -4.72 135.00 134.87 1pip s PRO 102 Ca 0.00 1.39 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 1pip s PRO 102 Cb 0.00 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1pip s PRO 102 CO 0.00 -0.40 1.31 0.71 0.04 0.00 0.00 177.00 178.66 1pip s TYR 103 N -1.93 2.94 0.10 0.56 2.02 -1.26 -4.91 117.35 114.87 1pip s TYR 103 Ca 0.66 1.40 0.12 0.00 -0.37 0.00 0.00 57.07 58.89 1pip s TYR 103 Cb -0.17 -3.69 0.20 0.00 -0.40 0.00 0.00 41.96 37.89 1pip s TYR 103 CO 0.21 -2.00 1.50 0.00 -1.57 0.00 0.00 175.55 173.70 1pip h ALA 104 N 3.10 0.72 -2.98 3.71 0.00 -0.79 -3.47 119.26 119.54 1pip h ALA 104 Ca -0.49 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 53.81 1pip h ALA 104 Cb 1.23 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1pip h ALA 104 CO 0.64 0.81 0.18 0.00 0.00 0.00 0.00 179.25 180.89 1pip s ALA 105 N -3.19 -1.50 0.01 0.00 0.00 -1.01 -5.00 121.76 111.08 1pip s ALA 105 Ca 0.01 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 1pip s ALA 105 Cb 0.10 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.13 1pip s ALA 105 CO 0.76 -0.78 0.39 0.21 0.00 0.00 0.00 175.76 176.34 1pip s LYS 106 N -3.77 0.82 0.38 0.00 2.36 -1.26 -0.64 119.74 117.63 1pip s LYS 106 Ca 0.02 -0.22 0.08 0.00 -2.55 0.00 0.00 55.97 53.30 1pip s LYS 106 Cb -0.01 0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 37.09 1pip s LYS 106 CO -0.11 -0.25 0.20 0.99 1.55 0.00 0.00 175.35 177.72 1pip s THR 107 N -1.80 2.67 -0.46 3.43 2.01 -1.15 -4.99 115.64 115.34 1pip s THR 107 Ca -0.10 -1.64 0.19 0.00 0.31 0.00 0.00 61.69 60.45 1pip s THR 107 Cb -0.03 -2.99 -0.24 0.00 0.01 0.00 0.00 72.50 69.25 1pip s THR 107 CO 0.02 -0.08 0.60 0.47 -0.69 0.00 0.00 174.62 174.95 1pip n ASP 108 N -1.25 0.78 0.00 3.53 8.00 0.44 -4.21 116.55 123.84 1pip n ASP 108 Ca -0.01 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1pip n ASP 108 Cb 0.63 1.41 0.00 0.00 -0.02 0.00 0.00 41.12 43.14 1pip n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pip n GLY 109 N 1.43 -1.00 2.98 0.44 0.00 -0.90 -4.92 105.19 103.21 1pip n GLY 109 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 1pip n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pip s VAL 110 N -2.00 0.74 0.15 1.61 1.01 -1.26 0.32 120.40 120.98 1pip s VAL 110 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1pip s VAL 110 Cb 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1pip s VAL 110 CO 0.00 0.24 -0.23 -0.13 0.00 0.00 0.00 175.10 174.98 1pip s ARG 111 N 0.37 1.36 -0.06 2.72 0.52 0.26 -4.92 118.95 119.20 1pip s ARG 111 Ca -0.06 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1pip s ARG 111 Cb -0.10 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 1pip s ARG 111 CO 0.01 0.37 0.02 -1.14 0.02 0.00 0.00 175.30 174.57 1pip s GLN 112 N -2.40 2.98 0.31 3.54 0.74 -1.26 -1.05 119.66 122.52 1pip s GLN 112 Ca 0.15 -0.43 -0.27 0.00 0.05 0.00 0.00 55.36 54.86 1pip s GLN 112 Cb -0.08 -2.80 -0.10 0.00 1.10 0.00 0.00 33.01 31.13 1pip s GLN 112 CO 0.07 0.69 0.96 0.08 -0.55 0.00 0.00 175.29 176.54 1pip s VAL 113 N -0.96 4.10 0.05 1.34 1.01 -0.09 -4.99 120.40 120.86 1pip s VAL 113 Ca 0.15 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1pip s VAL 113 Cb -0.11 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1pip s VAL 113 CO 0.05 0.21 1.74 -1.58 0.00 0.00 0.00 175.10 175.52 1pip s GLN 114 N -1.89 4.17 0.80 2.72 0.74 -1.26 -4.59 119.66 120.36 1pip s GLN 114 Ca 0.49 2.40 -0.11 0.00 0.05 0.00 0.00 55.36 58.18 1pip s GLN 114 Cb -0.21 -3.79 0.07 0.00 1.10 0.00 0.00 33.01 30.18 1pip s GLN 114 CO 0.27 -0.82 1.09 -1.25 -0.55 0.00 0.00 175.29 174.03 1pip s PRO 115 N 3.31 2.03 -1.33 1.67 0.04 -1.26 -3.88 135.00 135.58 1pip s PRO 115 Ca 0.78 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1pip s PRO 115 Cb -0.40 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.29 1pip s PRO 115 CO 0.34 -1.70 0.46 0.66 0.04 0.00 0.00 177.00 176.80 1pip n TYR 116 N -3.51 -1.79 -3.61 0.56 4.01 -0.32 -4.92 117.16 107.58 1pip n TYR 116 Ca 0.07 0.42 -0.28 0.00 -0.16 0.00 0.00 57.90 57.95 1pip n TYR 116 Cb 0.55 -3.32 -0.16 0.00 -0.31 0.00 0.00 39.34 36.10 1pip n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1pip s ASN 117 N -2.63 3.25 0.13 7.72 3.84 -1.25 -4.82 114.94 121.19 1pip s ASN 117 Ca 0.32 -1.12 -0.18 0.00 0.21 0.00 0.00 52.86 52.09 1pip s ASN 117 Cb -0.16 -0.44 -0.04 0.00 -0.55 0.00 0.00 41.25 40.06 1pip s ASN 117 CO 0.40 -0.40 1.79 -0.61 -2.79 0.00 0.00 177.10 175.49 1pip h GLN 118 N 8.34 0.37 -0.06 0.43 4.15 -1.90 -2.74 115.11 123.70 1pip h GLN 118 Ca -0.17 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 1pip h GLN 118 Cb 1.06 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1pip h GLN 118 CO 0.40 0.25 -0.12 0.78 -1.93 0.00 0.00 178.83 178.21 1pip h GLY 119 N 0.38 0.10 0.97 2.39 0.00 -1.97 -1.08 103.07 103.86 1pip h GLY 119 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1pip h GLY 119 CO -0.02 0.05 -0.11 0.00 0.00 0.00 0.00 176.54 176.45 1pip h ALA 120 N 1.79 0.52 -0.16 3.60 0.00 -1.81 -1.07 119.26 122.13 1pip h ALA 120 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1pip h ALA 120 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pip h ALA 120 CO 0.02 0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.97 1pip h LEU 121 N 0.54 0.24 -0.89 0.00 5.85 -1.30 -2.35 115.31 117.39 1pip h LEU 121 Ca 0.09 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1pip h LEU 121 Cb 0.64 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1pip h LEU 121 CO 0.04 0.38 0.39 -0.07 -0.34 0.00 0.00 178.44 178.84 1pip h LEU 122 N 0.09 1.08 -0.84 2.25 3.38 -1.16 0.24 115.31 120.36 1pip h LEU 122 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1pip h LEU 122 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1pip h LEU 122 CO -0.00 0.91 0.37 0.22 0.09 0.00 0.00 178.44 180.03 1pip h TYR 123 N 1.18 1.23 -0.45 1.13 3.20 -1.05 -2.07 116.97 120.14 1pip h TYR 123 Ca 0.28 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1pip h TYR 123 Cb 0.12 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1pip h TYR 123 CO 0.01 0.90 0.18 0.77 -1.64 0.00 0.00 178.16 178.38 1pip h SER 124 N 1.19 0.62 -0.61 -2.11 0.02 -0.85 -2.89 113.55 108.93 1pip h SER 124 Ca 0.28 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1pip h SER 124 Cb 0.17 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1pip h SER 124 CO -0.03 0.62 0.27 0.40 -1.14 0.00 0.00 176.83 176.96 1pip h ILE 125 N 0.58 1.22 0.00 3.27 2.04 -0.90 -0.23 117.51 123.49 1pip h ILE 125 Ca 0.15 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1pip h ILE 125 Cb 0.20 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1pip h ILE 125 CO -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.37 1pip h ALA 126 N 1.39 1.20 0.00 1.87 0.00 -1.16 -3.01 119.26 119.55 1pip h ALA 126 Ca 0.22 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1pip h ALA 126 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1pip h ALA 126 CO -0.02 0.04 -1.81 0.09 0.00 0.00 0.00 179.25 177.55 1pip n ASN 127 N -3.41 0.55 -3.62 0.00 5.03 -0.17 -5.06 115.26 108.57 1pip n ASN 127 Ca -0.02 0.25 -0.03 0.00 0.87 0.00 0.00 54.58 55.65 1pip n ASN 127 Cb 0.15 0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 39.40 1pip n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pip s GLN 128 N -2.79 0.15 0.42 3.52 -2.07 -0.77 -5.06 119.66 113.06 1pip s GLN 128 Ca -0.06 -0.06 -0.25 0.00 -1.82 0.00 0.00 55.36 53.18 1pip s GLN 128 Cb 0.08 0.07 -0.10 0.00 -1.09 0.00 0.00 33.01 31.97 1pip s GLN 128 CO 0.83 -0.07 1.14 -2.30 -1.32 0.00 0.00 175.29 173.57 1pip n PRO 129 N -0.06 1.62 -4.42 9.60 -0.02 -1.26 -3.91 135.00 136.55 1pip n PRO 129 Ca 0.03 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.84 1pip n PRO 129 Cb 0.57 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 1pip n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pip s VAL 130 N -1.23 1.76 0.15 -1.45 1.01 -0.75 -4.72 120.40 115.17 1pip s VAL 130 Ca 0.62 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 1pip s VAL 130 Cb -0.53 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1pip s VAL 130 CO 0.57 0.04 0.84 -0.55 0.00 0.00 0.00 175.10 176.00 1pip s SER 131 N -1.69 7.44 0.02 3.32 0.15 -0.05 -0.91 113.70 121.98 1pip s SER 131 Ca 0.08 1.71 -0.06 0.00 0.70 0.00 0.00 55.95 58.37 1pip s SER 131 Cb -0.10 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1pip s SER 131 CO 0.04 0.12 0.11 0.54 1.20 0.00 0.00 173.24 175.25 1pip s VAL 132 N -0.78 0.10 0.28 4.45 0.11 -0.49 -2.02 120.40 122.04 1pip s VAL 132 Ca 0.39 -0.82 0.09 0.00 -2.93 0.00 0.00 61.98 58.71 1pip s VAL 132 Cb -0.23 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1pip s VAL 132 CO 0.28 -0.45 0.02 0.68 -3.33 0.00 0.00 175.10 172.30 1pip s VAL 133 N -1.76 3.44 0.24 2.04 -7.23 -1.23 -0.75 120.40 115.15 1pip s VAL 133 Ca -0.12 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 1pip s VAL 133 Cb -0.06 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 34.02 1pip s VAL 133 CO -0.00 -0.35 0.67 -1.48 -0.31 0.00 0.00 175.10 173.63 1pip s LEU 134 N -3.70 -0.33 -0.34 1.32 0.05 -0.36 -4.04 118.68 111.28 1pip s LEU 134 Ca 0.32 -0.43 -0.23 0.00 0.05 0.00 0.00 54.13 53.84 1pip s LEU 134 Cb -0.06 2.66 0.01 0.00 -2.05 0.00 0.00 46.19 46.74 1pip s LEU 134 CO 0.20 -1.22 0.79 -1.58 -0.55 0.00 0.00 176.35 173.99 1pip s GLN 135 N -3.87 3.86 0.00 1.48 0.74 0.04 -1.43 119.66 120.49 1pip s GLN 135 Ca 0.08 0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.98 1pip s GLN 135 Cb -0.04 -3.77 0.04 0.00 1.10 0.00 0.00 33.01 30.34 1pip s GLN 135 CO 0.01 -0.77 0.71 0.00 -0.55 0.00 0.00 175.29 174.69 1pip n ALA 136 N 6.33 2.39 0.19 1.58 0.00 -1.26 -4.69 120.51 125.04 1pip n ALA 136 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 53.44 52.89 1pip n ALA 136 Cb 0.48 -0.10 0.31 0.00 0.00 0.00 0.00 19.45 20.14 1pip n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pip h ALA 137 N 0.57 0.94 -2.79 0.00 0.00 -1.90 -3.39 119.26 112.69 1pip h ALA 137 Ca 0.00 -0.33 -0.51 0.00 0.00 0.00 0.00 54.91 54.06 1pip h ALA 137 Cb 0.23 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.02 1pip h ALA 137 CO 0.00 0.46 0.54 0.20 0.00 0.00 0.00 179.25 180.45 1pip s GLY 138 N -4.36 2.91 0.33 0.00 0.00 -1.26 -4.90 107.32 100.04 1pip s GLY 138 Ca 0.01 1.06 0.24 0.00 0.00 0.00 0.00 44.72 46.03 1pip s GLY 138 CO 0.69 1.61 1.73 0.07 0.00 0.00 0.00 173.10 177.19 1pip h LYS 139 N 2.80 0.00 -0.60 2.90 2.10 -1.93 -1.87 116.57 119.97 1pip h LYS 139 Ca -0.49 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.10 1pip h LYS 139 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1pip h LYS 139 CO 0.63 0.00 0.13 -0.44 -2.00 0.00 0.00 179.45 177.77 1pip h ASP 140 N 0.00 0.93 -0.24 7.07 3.32 -1.91 0.38 116.42 125.98 1pip h ASP 140 Ca 0.00 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1pip h ASP 140 Cb 0.16 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1pip h ASP 140 CO 0.00 0.93 -0.19 0.15 -1.72 0.00 0.00 179.24 178.42 1pip h PHE 141 N 0.88 0.64 -0.65 4.55 3.57 -1.63 -2.80 116.94 121.51 1pip h PHE 141 Ca 0.19 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1pip h PHE 141 Cb 0.38 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1pip h PHE 141 CO 0.03 0.85 0.19 1.96 -2.23 0.00 0.00 178.31 179.11 1pip h GLN 142 N 0.25 1.02 -0.56 1.11 4.20 -1.29 -2.27 115.11 117.57 1pip h GLN 142 Ca 0.04 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1pip h GLN 142 Cb 0.72 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1pip h GLN 142 CO 0.05 0.90 0.00 1.28 -0.67 0.00 0.00 178.83 180.39 1pip n LEU 143 N -4.34 2.02 -4.68 1.46 4.32 0.11 -4.94 117.00 110.95 1pip n LEU 143 Ca 0.04 -1.02 -0.44 0.00 -0.02 0.00 0.00 56.01 54.57 1pip n LEU 143 Cb 0.22 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.62 1pip n LEU 143 CO 0.41 0.36 1.40 0.00 -1.22 0.00 0.00 177.39 178.35 1pip n TYR 144 N 0.24 2.49 0.11 -1.77 9.36 -0.86 -4.89 117.16 121.84 1pip n TYR 144 Ca 0.09 -0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.32 1pip n TYR 144 Cb 0.40 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.45 1pip n TYR 144 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1pip n ARG 145 N 5.16 1.37 0.00 2.98 1.85 -1.26 -2.53 116.66 124.24 1pip n ARG 145 Ca 0.18 -0.46 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 1pip n ARG 145 Cb 0.34 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 1pip n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pip n GLY 146 N 0.41 2.30 0.29 2.89 0.00 -1.26 -4.40 105.19 105.42 1pip n GLY 146 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1pip n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pip n GLY 147 N -1.27 -3.48 3.61 -0.02 0.00 -1.26 -4.84 105.19 97.93 1pip n GLY 147 Ca 0.00 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 1pip n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pip s ILE 148 N -0.87 5.14 -0.10 -0.61 1.01 -1.26 -4.27 121.20 120.24 1pip s ILE 148 Ca 0.00 0.67 -0.24 0.00 0.00 0.00 0.00 60.65 61.08 1pip s ILE 148 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1pip s ILE 148 CO 0.00 0.14 0.73 0.12 0.00 0.00 0.00 174.94 175.93 1pip s PHE 149 N 2.11 3.52 -1.05 3.97 5.36 -0.32 -4.85 117.98 126.72 1pip s PHE 149 Ca 0.17 1.23 0.09 0.00 -0.96 0.00 0.00 56.93 57.46 1pip s PHE 149 Cb -0.16 -2.87 0.06 0.00 -0.34 0.00 0.00 43.02 39.71 1pip s PHE 149 CO 0.10 -0.03 0.74 1.33 -1.46 0.00 0.00 175.22 175.90 1pip n VAL 150 N 4.13 0.00 0.00 3.12 0.24 -1.26 -1.06 118.33 123.50 1pip n VAL 150 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1pip n VAL 150 Cb 0.50 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 1pip n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pip n GLY 151 N 0.57 -0.02 3.76 7.63 0.00 -1.26 -4.72 105.19 111.14 1pip n GLY 151 Ca 0.05 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1pip n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pip s PRO 152 N 0.00 4.33 -0.04 1.61 0.04 -1.26 -4.98 135.00 134.71 1pip s PRO 152 Ca 0.00 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1pip s PRO 152 Cb 0.00 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.50 1pip s PRO 152 CO 0.00 -0.28 0.65 0.00 0.04 0.00 0.00 177.00 177.42 1pip n GLY 154 N 0.86 0.61 0.79 0.00 0.00 -1.26 -4.49 105.19 101.69 1pip n GLY 154 Ca -0.19 -1.86 0.04 0.00 0.00 0.00 0.00 46.02 44.01 1pip n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pip n ASN 155 N -0.55 2.76 -3.96 1.61 6.94 -1.26 -3.79 115.26 117.01 1pip n ASN 155 Ca 0.00 -3.44 -0.43 0.00 -0.02 0.00 0.00 54.58 50.70 1pip n ASN 155 Cb 0.00 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 1pip n ASN 155 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1pip n LYS 156 N -1.01 3.35 -1.69 -3.83 5.02 -1.26 -4.70 118.16 114.03 1pip n LYS 156 Ca 0.24 -3.30 -0.44 0.00 -2.02 0.00 0.00 58.31 52.80 1pip n LYS 156 Cb 0.87 -3.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.78 1pip n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1pip n VAL 157 N 4.20 1.05 -1.38 -0.18 0.24 -1.26 -4.39 118.33 116.61 1pip n VAL 157 Ca 0.43 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1pip n VAL 157 Cb 0.39 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1pip n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pip n ASP 158 N 2.05 0.00 -3.71 -1.34 5.75 -0.51 -4.89 116.55 113.90 1pip n ASP 158 Ca 0.10 -1.00 -0.17 0.00 -0.01 0.00 0.00 54.79 53.71 1pip n ASP 158 Cb 0.33 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.26 1pip n ASP 158 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1pip s HIS 159 N 0.00 -0.00 -0.05 2.11 5.04 -0.69 -4.92 115.29 116.78 1pip s HIS 159 Ca 0.00 0.29 -0.12 0.00 -1.54 0.00 0.00 55.06 53.69 1pip s HIS 159 Cb 0.00 -0.34 -0.05 0.00 0.04 0.00 0.00 32.58 32.23 1pip s HIS 159 CO 0.00 -0.17 0.32 0.00 -2.34 0.00 0.00 174.74 172.55 1pip s ALA 160 N 1.75 3.75 0.19 1.58 0.00 -1.26 -1.22 121.76 126.55 1pip s ALA 160 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1pip s ALA 160 Cb -0.12 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1pip s ALA 160 CO -0.04 0.50 0.23 1.55 0.00 0.00 0.00 175.76 178.01 1pip n VAL 161 N 1.97 0.00 -4.47 0.00 3.14 0.07 -4.55 118.33 114.49 1pip n VAL 161 Ca -0.16 -1.11 -0.20 0.00 -2.96 0.00 0.00 64.34 59.91 1pip n VAL 161 Cb 0.53 0.63 -0.15 0.00 -1.06 0.00 0.00 33.84 33.79 1pip n VAL 161 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pip s ALA 162 N -2.42 0.92 -0.21 1.55 0.00 -1.12 -1.40 121.76 119.08 1pip s ALA 162 Ca 0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1pip s ALA 162 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1pip s ALA 162 CO 0.13 0.21 0.34 0.00 0.00 0.00 0.00 175.76 176.44 1pip s ALA 163 N -0.17 3.57 -0.08 0.00 0.00 -0.09 -0.63 121.76 124.37 1pip s ALA 163 Ca 0.03 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.48 1pip s ALA 163 Cb -0.05 -2.55 0.15 0.00 0.00 0.00 0.00 23.12 20.67 1pip s ALA 163 CO -0.00 -0.26 1.08 1.33 0.00 0.00 0.00 175.76 177.91 1pip n VAL 164 N 4.28 1.45 -0.83 0.00 0.24 -0.14 -1.81 118.33 121.52 1pip n VAL 164 Ca -0.10 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 1pip n VAL 164 Cb 0.51 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1pip n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pip n GLY 165 N -0.95 -1.66 3.65 7.63 0.00 -1.21 -1.11 105.19 111.54 1pip n GLY 165 Ca 0.08 -1.09 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 1pip n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pip s TYR 166 N -2.25 -0.26 0.03 1.61 -0.85 -0.30 -0.76 117.35 114.57 1pip s TYR 166 Ca 0.00 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.55 1pip s TYR 166 Cb 0.00 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.95 1pip s TYR 166 CO 0.00 -0.81 0.03 0.41 -1.52 0.00 0.00 175.55 173.66 1pip n GLY 167 N -0.39 3.92 0.33 5.49 0.00 0.04 -1.83 105.19 112.75 1pip n GLY 167 Ca -0.08 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.33 1pip n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pip h PRO 168 N 0.00 0.42 0.00 1.61 0.11 -1.98 -3.05 132.00 129.11 1pip h PRO 168 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1pip h PRO 168 Cb 0.12 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1pip h PRO 168 CO 0.03 0.27 -0.12 0.27 -0.21 0.00 0.00 178.00 178.25 1pip n ASN 169 N -4.48 1.41 -3.63 -2.05 2.04 -1.26 -4.91 115.26 102.38 1pip n ASN 169 Ca 0.06 -2.31 -0.10 0.00 -0.44 0.00 0.00 54.58 51.79 1pip n ASN 169 Cb 0.22 -0.22 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1pip n ASN 169 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1pip s TYR 170 N -1.39 -0.32 -0.05 -2.53 -0.85 -1.15 -2.60 117.35 108.46 1pip s TYR 170 Ca 0.13 -0.00 0.06 0.00 -0.52 0.00 0.00 57.07 56.74 1pip s TYR 170 Cb 0.11 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.98 1pip s TYR 170 CO 0.01 -0.97 -0.24 0.42 -1.52 0.00 0.00 175.55 173.26 1pip s ILE 171 N -3.83 2.21 -0.22 -3.49 1.01 0.23 -0.78 121.20 116.32 1pip s ILE 171 Ca 0.06 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 1pip s ILE 171 Cb -0.02 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1pip s ILE 171 CO -0.05 0.57 0.45 -0.22 0.00 0.00 0.00 174.94 175.69 1pip s LEU 172 N -0.31 4.11 -0.08 2.97 2.96 0.06 -1.46 118.68 126.93 1pip s LEU 172 Ca 0.01 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1pip s LEU 172 Cb -0.13 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1pip s LEU 172 CO 0.02 -0.16 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.02 1pip s ILE 173 N 1.70 2.03 -0.38 6.68 1.01 0.29 -0.97 121.20 131.55 1pip s ILE 173 Ca 0.20 -1.03 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 1pip s ILE 173 Cb -0.15 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1pip s ILE 173 CO 0.09 0.56 0.76 -0.75 0.00 0.00 0.00 174.94 175.60 1pip s LYS 174 N 0.08 3.65 0.49 2.79 2.20 0.20 -2.11 119.74 127.04 1pip s LYS 174 Ca -0.11 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.71 1pip s LYS 174 Cb -0.16 -3.84 0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1pip s LYS 174 CO 0.06 -0.90 0.68 1.21 -0.36 0.00 0.00 175.35 176.05 1pip s ASN 175 N 1.91 5.48 -0.30 1.43 2.47 -0.87 -2.79 114.94 122.26 1pip s ASN 175 Ca 0.30 -0.13 0.07 0.00 0.42 0.00 0.00 52.86 53.52 1pip s ASN 175 Cb -0.13 -0.87 0.46 0.00 -1.45 0.00 0.00 41.25 39.25 1pip s ASN 175 CO 0.18 -0.95 1.27 -1.54 -3.72 0.00 0.00 177.10 172.34 1pip n SER 176 N -2.13 4.48 -0.18 -4.21 3.41 -1.26 -4.54 113.62 109.19 1pip n SER 176 Ca 0.07 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 1pip n SER 176 Cb 0.59 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1pip n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1pip n TRP 177 N -0.81 -0.20 -0.82 7.33 8.01 -1.22 -0.59 117.44 129.12 1pip n TRP 177 Ca 0.41 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.60 1pip n TRP 177 Cb 0.91 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.21 1pip n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pip n GLY 178 N 5.00 -1.55 0.00 6.99 0.00 -1.26 -4.01 105.19 110.36 1pip n GLY 178 Ca 0.00 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.54 1pip n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pip n THR 179 N -2.13 0.29 1.09 2.61 -2.24 -1.26 -3.29 114.28 109.35 1pip n THR 179 Ca 0.00 0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1pip n THR 179 Cb 0.00 -0.65 0.42 0.00 -2.10 0.00 0.00 70.33 68.00 1pip n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pip n GLY 180 N 1.03 -1.21 3.85 3.38 0.00 -1.26 -3.19 105.19 107.80 1pip n GLY 180 Ca 0.07 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1pip n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1pip s TRP 181 N -2.87 3.61 0.00 1.61 -0.00 -1.21 -4.89 118.94 115.20 1pip s TRP 181 Ca 0.16 0.99 0.00 0.00 -0.00 0.00 0.00 56.10 57.25 1pip s TRP 181 Cb 0.18 -2.31 0.00 0.00 -0.00 0.00 0.00 33.47 31.34 1pip s TRP 181 CO 0.60 0.46 0.00 0.41 -0.00 0.00 0.00 176.95 178.42 1pip n GLY 182 N 0.89 2.91 3.22 5.86 0.00 -1.05 0.17 105.19 117.18 1pip n GLY 182 Ca -0.06 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 1pip n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pip n GLU 183 N 13.67 3.72 -3.78 1.61 1.02 -0.30 -4.43 120.64 132.16 1pip n GLU 183 Ca 0.00 -4.16 -0.28 0.00 -0.02 0.00 0.00 57.16 52.70 1pip n GLU 183 Cb 0.00 -2.74 0.05 0.00 -0.02 0.00 0.00 31.44 28.73 1pip n GLU 183 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pip n ASN 184 N 3.37 -5.46 0.00 1.62 5.03 -1.24 -2.37 115.26 116.21 1pip n ASN 184 Ca 0.31 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 55.08 1pip n ASN 184 Cb 0.38 -4.33 0.00 0.00 -1.02 0.00 0.00 39.78 34.81 1pip n ASN 184 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pip n GLY 185 N -1.81 0.59 3.75 7.41 0.00 0.13 -4.69 105.19 110.57 1pip n GLY 185 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1pip n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pip s TYR 186 N -2.32 2.76 -0.11 1.61 1.51 -1.00 -2.05 117.35 117.75 1pip s TYR 186 Ca 0.00 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1pip s TYR 186 Cb 0.00 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1pip s TYR 186 CO 0.00 0.33 0.28 -1.50 -1.11 0.00 0.00 175.55 173.55 1pip s ILE 187 N -2.39 -0.02 -0.31 2.71 -1.16 -0.90 -1.15 121.20 117.98 1pip s ILE 187 Ca 0.38 0.07 -0.09 0.00 -0.51 0.00 0.00 60.65 60.50 1pip s ILE 187 Cb -0.03 -0.41 0.00 0.00 0.61 0.00 0.00 42.46 42.63 1pip s ILE 187 CO 0.23 0.03 0.13 -0.13 -2.81 0.00 0.00 174.94 172.40 1pip s ARG 188 N 0.76 3.20 -0.18 3.50 0.52 -1.26 -0.55 118.95 124.93 1pip s ARG 188 Ca -0.05 -0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 54.26 1pip s ARG 188 Cb -0.06 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 1pip s ARG 188 CO -0.05 -0.46 0.13 0.42 0.02 0.00 0.00 175.30 175.36 1pip s ILE 189 N 1.57 5.40 0.20 1.52 -1.09 -0.54 -1.17 121.20 127.09 1pip s ILE 189 Ca 0.04 0.18 -0.32 0.00 -2.23 0.00 0.00 60.65 58.32 1pip s ILE 189 Cb -0.17 -3.44 -0.15 0.00 -1.58 0.00 0.00 42.46 37.11 1pip s ILE 189 CO 0.05 0.47 1.20 1.17 -1.23 0.00 0.00 174.94 176.60 1pip n LYS 190 N 3.24 1.39 -4.50 2.79 0.00 -0.22 -0.60 118.16 120.26 1pip n LYS 190 Ca -0.17 0.49 -0.23 0.00 0.00 0.00 0.00 58.31 58.40 1pip n LYS 190 Cb 0.53 -2.01 -0.11 0.00 0.00 0.00 0.00 35.03 33.44 1pip n LYS 190 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1pip s ARG 191 N -0.52 1.73 0.00 1.64 1.70 -1.07 -4.45 118.95 117.98 1pip s ARG 191 Ca 0.70 -1.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 1pip s ARG 191 Cb -0.79 -1.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 1pip s ARG 191 CO 0.53 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 175.05 1pip n GLY 192 N -0.75 0.41 0.13 3.88 0.00 -1.26 -4.69 105.19 102.91 1pip n GLY 192 Ca -0.04 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.08 1pip n GLY 192 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pip h THR 193 N 0.00 0.00 0.00 2.61 2.02 -1.99 -3.47 112.91 112.08 1pip h THR 193 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1pip h THR 193 Cb 0.08 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1pip h THR 193 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1pip n GLY 194 N 1.23 2.06 3.68 2.16 0.00 -1.26 -4.99 105.19 108.07 1pip n GLY 194 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1pip n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pip s ASN 195 N -3.27 7.16 0.26 1.61 2.47 -1.26 -4.93 114.94 116.98 1pip s ASN 195 Ca 0.00 1.55 0.05 0.00 0.42 0.00 0.00 52.86 54.88 1pip s ASN 195 Cb 0.00 -2.55 0.31 0.00 -1.45 0.00 0.00 41.25 37.56 1pip s ASN 195 CO 0.00 -0.54 1.60 -1.28 -3.72 0.00 0.00 177.10 173.16 1pip h SER 196 N 7.31 0.25 0.11 -4.21 0.87 -1.94 -2.73 113.55 113.21 1pip h SER 196 Ca -0.28 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1pip h SER 196 Cb 1.12 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1pip h SER 196 CO 0.90 0.75 -0.11 1.88 -0.53 0.00 0.00 176.83 179.72 1pip h TYR 197 N 0.17 0.00 0.00 2.24 0.05 -1.91 -3.38 116.97 114.14 1pip h TYR 197 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1pip h TYR 197 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1pip h TYR 197 CO 0.02 0.11 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 1pip n GLY 198 N -1.22 -0.82 3.74 3.88 0.00 -1.03 -0.40 105.19 109.34 1pip n GLY 198 Ca -0.03 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1pip n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pip s VAL 199 N -3.02 2.43 -2.17 1.61 1.01 -1.26 -1.71 120.40 117.29 1pip s VAL 199 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1pip s VAL 199 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1pip s VAL 199 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.15 1pip n GLY 201 N -0.41 0.43 0.32 0.00 0.00 -0.70 -0.78 105.19 104.06 1pip n GLY 201 Ca -0.21 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.00 1pip n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pip h LEU 202 N 0.00 0.00 -2.98 0.99 5.85 -1.07 -1.27 115.31 116.83 1pip h LEU 202 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pip h LEU 202 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1pip h LEU 202 CO 0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88 1pip n TYR 203 N -3.49 1.46 -0.07 1.25 4.01 0.47 -4.48 117.16 116.31 1pip n TYR 203 Ca -0.02 -0.57 -0.11 0.00 -0.16 0.00 0.00 57.90 57.04 1pip n TYR 203 Cb 0.14 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 1pip n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1pip h THR 204 N 3.88 1.23 -1.33 -0.72 2.02 -1.34 -0.85 112.91 115.80 1pip h THR 204 Ca 0.00 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.46 1pip h THR 204 Cb 1.42 1.30 -0.23 0.00 -1.74 0.00 0.00 68.15 68.90 1pip h THR 204 CO 0.24 0.24 -0.31 -0.55 0.37 0.00 0.00 175.52 175.51 1pip s SER 205 N -5.80 -0.97 -0.05 4.18 0.15 -1.26 -4.72 113.70 105.23 1pip s SER 205 Ca -0.14 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.33 1pip s SER 205 Cb 0.07 1.92 0.01 0.00 -1.71 0.00 0.00 66.02 66.31 1pip s SER 205 CO 0.73 -0.26 -0.11 -0.44 1.20 0.00 0.00 173.24 174.35 1pip s SER 206 N 2.78 1.58 0.12 5.45 0.01 -1.26 -3.53 113.70 118.86 1pip s SER 206 Ca 0.16 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.22 1pip s SER 206 Cb -0.15 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1pip s SER 206 CO -0.19 0.03 -0.15 -0.36 0.41 0.00 0.00 173.24 172.98 1pip s PHE 207 N 0.59 1.44 0.01 2.43 0.40 -0.86 -0.91 117.98 121.08 1pip s PHE 207 Ca -0.12 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.64 1pip s PHE 207 Cb -0.14 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1pip s PHE 207 CO 0.03 0.16 0.05 1.52 0.70 0.00 0.00 175.22 177.67 1pip s TYR 208 N -2.10 0.13 0.32 0.36 -0.85 -0.21 -0.87 117.35 114.13 1pip s TYR 208 Ca 0.09 -0.27 -0.28 0.00 -0.52 0.00 0.00 57.07 56.09 1pip s TYR 208 Cb -0.05 -0.10 -0.09 0.00 0.38 0.00 0.00 41.96 42.09 1pip s TYR 208 CO 0.03 -0.20 1.16 -1.25 -1.52 0.00 0.00 175.55 173.77 1pip s PRO 209 N -1.20 4.43 -0.15 -3.49 0.04 -1.26 -0.57 135.00 132.80 1pip s PRO 209 Ca -0.13 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1pip s PRO 209 Cb -0.08 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1pip s PRO 209 CO 0.00 -0.00 -0.00 0.08 0.04 0.00 0.00 177.00 177.12 1pip s VAL 210 N -1.24 4.24 -0.00 -0.36 1.01 0.15 -4.89 120.40 119.31 1pip s VAL 210 Ca 0.49 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1pip s VAL 210 Cb -0.33 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1pip s VAL 210 CO 0.42 0.51 -0.04 -0.75 0.00 0.00 0.00 175.10 175.25 1pip s LYS 211 N 0.08 0.29 0.00 2.72 2.47 -1.26 -0.42 119.74 123.62 1pip s LYS 211 Ca 0.02 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.30 1pip s LYS 211 Cb -0.13 -0.28 0.00 0.00 -1.46 0.00 0.00 37.83 35.96 1pip s LYS 211 CO 0.02 0.08 0.44 -1.71 0.16 0.00 0.00 175.35 174.33