#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcn n PRO 2 N 0.00 0.00 -0.24 7.34 -0.04 -1.26 -4.71 135.00 136.09 1pcn n PRO 2 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1pcn n PRO 2 Cb 0.00 -0.21 -0.01 0.00 -0.04 0.00 0.00 33.50 33.24 1pcn n PRO 2 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pcn n ASP 3 N 0.59 -1.27 -4.66 3.54 9.92 -1.26 -4.90 116.55 118.51 1pcn n ASP 3 Ca 0.00 0.26 -0.42 0.00 -0.53 0.00 0.00 54.79 54.10 1pcn n ASP 3 Cb 0.00 -0.32 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 1pcn n ASP 3 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1pcn s PRO 4 N -3.77 4.09 -1.42 -0.24 0.02 -1.26 -4.94 135.00 127.48 1pcn s PRO 4 Ca 0.00 2.31 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 1pcn s PRO 4 Cb 0.00 -4.07 0.07 0.00 0.02 0.00 0.00 34.50 30.51 1pcn s PRO 4 CO 0.00 -0.97 2.17 -2.13 -0.33 0.00 0.00 177.00 175.74 1pcn n ARG 5 N 7.40 3.07 0.07 5.54 3.00 -1.26 -4.68 116.66 129.79 1pcn n ARG 5 Ca 0.19 -2.81 0.12 0.00 -0.00 0.00 0.00 57.85 55.35 1pcn n ARG 5 Cb 0.42 -3.18 0.20 0.00 0.00 0.00 0.00 32.46 29.90 1pcn n ARG 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pcn n GLY 6 N 3.75 -1.45 2.58 5.14 0.00 -1.26 -4.67 105.19 109.28 1pcn n GLY 6 Ca 0.50 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1pcn n GLY 6 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pcn n ILE 7 N -2.13 4.16 -2.93 -0.61 2.08 -1.26 -4.90 119.36 113.77 1pcn n ILE 7 Ca 0.04 -3.31 -0.44 0.00 0.56 0.00 0.00 62.75 59.60 1pcn n ILE 7 Cb 0.44 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 1pcn n ILE 7 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1pcn n ILE 8 N 3.78 4.44 -3.34 1.39 -5.35 -1.26 -4.97 119.36 114.05 1pcn n ILE 8 Ca 0.60 -4.92 0.00 0.00 -0.27 0.00 0.00 62.75 58.16 1pcn n ILE 8 Cb 0.31 -2.44 0.00 0.00 -1.74 0.00 0.00 39.64 35.77 1pcn n ILE 8 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1pcn n ILE 9 N 3.65 0.00 -0.98 7.28 -5.35 -1.26 -5.04 119.36 117.66 1pcn n ILE 9 Ca 0.34 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.82 1pcn n ILE 9 Cb 0.40 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1pcn n ILE 9 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pcn n ASN 10 N -0.42 -1.31 -4.13 7.28 3.02 -0.49 -5.05 115.26 114.16 1pcn n ASN 10 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 1pcn n ASN 10 Cb 0.00 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 38.35 1pcn n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1pcn s LEU 11 N -0.68 1.89 0.75 3.41 2.96 -1.07 -4.80 118.68 121.14 1pcn s LEU 11 Ca 0.00 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 1pcn s LEU 11 Cb 0.00 -1.07 0.04 0.00 0.50 0.00 0.00 46.19 45.66 1pcn s LEU 11 CO 0.00 0.13 1.08 -1.81 -1.32 0.00 0.00 176.35 174.42 1pcn s ASP 12 N 0.29 4.82 0.57 3.68 1.01 -1.26 -0.73 116.67 125.04 1pcn s ASP 12 Ca -0.11 1.63 -0.17 0.00 0.71 0.00 0.00 52.55 54.61 1pcn s ASP 12 Cb -0.15 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1pcn s ASP 12 CO 0.04 -1.81 1.08 -1.83 0.21 0.00 0.00 175.17 172.86 1pcn s GLU 13 N -5.00 3.34 0.00 8.23 1.03 -1.26 -4.10 118.70 120.93 1pcn s GLU 13 Ca 0.60 1.35 0.00 0.00 0.03 0.00 0.00 54.97 56.95 1pcn s GLU 13 Cb -0.15 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 31.15 1pcn s GLU 13 CO 0.55 -0.81 0.00 0.41 -1.33 0.00 0.00 175.26 174.08 1pcn n GLY 14 N -0.52 0.74 3.18 -3.83 0.00 0.28 -4.96 105.19 100.08 1pcn n GLY 14 Ca 0.10 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1pcn n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pcn s GLU 15 N -0.83 0.85 -0.09 1.61 0.41 -1.26 -4.93 118.70 114.47 1pcn s GLU 15 Ca 0.00 -1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 1pcn s GLU 15 Cb 0.00 -0.65 -0.05 0.00 -1.78 0.00 0.00 34.13 31.65 1pcn s GLU 15 CO 0.00 0.12 1.59 -1.17 -0.49 0.00 0.00 175.26 175.31 1pcn s LEU 16 N -2.22 4.26 0.15 1.80 0.20 -1.26 -1.39 118.68 120.22 1pcn s LEU 16 Ca 0.03 2.10 0.11 0.00 0.69 0.00 0.00 54.13 57.06 1pcn s LEU 16 Cb -0.05 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 1pcn s LEU 16 CO 0.01 -0.93 -0.25 0.00 -0.29 0.00 0.00 176.35 174.90 1pcn n LEU 18 N 0.70 0.68 -5.00 0.00 4.77 -1.26 -4.41 117.00 112.48 1pcn n LEU 18 Ca -0.16 0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1pcn n LEU 18 Cb 0.54 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1pcn n LEU 18 CO 0.25 -0.29 0.28 0.54 -1.33 0.00 0.00 177.39 176.84 1pcn s ASN 19 N -2.44 5.35 0.42 -1.43 2.20 -1.26 -4.54 114.94 113.24 1pcn s ASN 19 Ca 0.00 -0.34 0.23 0.00 -0.94 0.00 0.00 52.86 51.81 1pcn s ASN 19 Cb 0.00 -0.55 0.54 0.00 -2.00 0.00 0.00 41.25 39.24 1pcn s ASN 19 CO 0.00 -1.05 1.67 0.28 -2.94 0.00 0.00 177.10 175.06 1pcn h SER 20 N 0.30 0.00 0.00 3.54 0.02 -1.87 -3.32 113.55 112.22 1pcn h SER 20 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1pcn h SER 20 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1pcn h SER 20 CO 0.46 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 1pcn n ALA 21 N -2.15 2.37 -0.06 3.77 0.00 -1.26 -3.76 120.51 119.42 1pcn n ALA 21 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1pcn n ALA 21 Cb 0.52 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 1pcn n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pcn n GLN 22 N -0.54 0.69 -2.45 0.00 6.02 -1.25 -4.82 117.38 115.03 1pcn n GLN 22 Ca 0.01 0.19 -0.32 0.00 -0.01 0.00 0.00 57.00 56.87 1pcn n GLN 22 Cb 0.01 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 29.59 1pcn n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pcn h LYS 24 N 1.01 -0.60 -6.20 0.00 1.57 -1.24 -3.34 116.57 107.78 1pcn h LYS 24 Ca -0.47 0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 57.78 1pcn h LYS 24 Cb 1.18 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.54 1pcn h LYS 24 CO 0.62 -0.39 0.89 -1.54 -0.57 0.00 0.00 179.45 178.45 1pcn s SER 25 N -4.65 6.26 -1.08 0.86 1.04 -1.26 -4.95 113.70 109.92 1pcn s SER 25 Ca -0.16 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 55.66 1pcn s SER 25 Cb 0.04 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 1pcn s SER 25 CO 0.63 -1.59 1.94 0.21 0.98 0.00 0.00 173.24 175.40 1pcn s ASN 26 N 3.39 5.09 -0.50 7.02 3.84 -1.25 -4.68 114.94 127.85 1pcn s ASN 26 Ca 0.34 -1.29 0.06 0.00 0.21 0.00 0.00 52.86 52.18 1pcn s ASN 26 Cb -0.10 -2.58 0.21 0.00 -0.55 0.00 0.00 41.25 38.23 1pcn s ASN 26 CO 0.18 -2.93 0.80 0.00 -2.79 0.00 0.00 177.10 172.36 1pcn s GLN 29 N 4.15 4.14 -0.15 0.00 -1.52 -0.71 -1.09 119.66 124.49 1pcn s GLN 29 Ca 0.48 0.38 -0.27 0.00 -1.95 0.00 0.00 55.36 54.00 1pcn s GLN 29 Cb -0.10 -3.60 -0.01 0.00 -0.22 0.00 0.00 33.01 29.08 1pcn s GLN 29 CO 0.25 -0.24 0.92 -1.58 -0.25 0.00 0.00 175.29 174.38 1pcn s HIS 30 N 1.94 3.45 0.00 0.91 5.65 -0.35 -2.05 115.29 124.85 1pcn s HIS 30 Ca 0.23 1.41 0.00 0.00 0.25 0.00 0.00 55.06 56.95 1pcn s HIS 30 Cb -0.15 -3.10 0.00 0.00 -1.18 0.00 0.00 32.58 28.14 1pcn s HIS 30 CO 0.09 -0.25 1.18 -0.40 -0.65 0.00 0.00 174.74 174.71 1pcn n ASP 31 N 5.24 3.20 -2.25 9.88 5.75 -1.26 -4.81 116.55 132.31 1pcn n ASP 31 Ca 0.07 -1.80 -0.02 0.00 -0.01 0.00 0.00 54.79 53.02 1pcn n ASP 31 Cb 0.48 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1pcn n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1pcn n THR 32 N 1.48 -7.61 0.00 2.12 -2.24 -1.26 -4.40 114.28 102.37 1pcn n THR 32 Ca 0.00 0.81 0.00 0.00 -2.27 0.00 0.00 64.05 62.59 1pcn n THR 32 Cb 0.33 -5.82 0.00 0.00 -2.10 0.00 0.00 70.33 62.73 1pcn n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pcn n ILE 33 N 0.02 0.00 0.24 2.28 0.13 -1.26 -4.73 119.36 116.05 1pcn n ILE 33 Ca 0.03 0.00 0.08 0.00 -1.10 0.00 0.00 62.75 61.76 1pcn n ILE 33 Cb 0.13 0.00 0.62 0.00 -0.84 0.00 0.00 39.64 39.55 1pcn n ILE 33 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1pcn h LEU 34 N 0.00 0.04 0.00 9.51 5.85 -1.98 -3.48 115.31 125.25 1pcn h LEU 34 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pcn h LEU 34 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1pcn h LEU 34 CO 0.00 0.03 0.00 -1.54 -0.34 0.00 0.00 178.44 176.59 1pcn n SER 35 N -4.53 -0.05 -4.56 1.25 3.41 -1.26 -5.02 113.62 102.86 1pcn n SER 35 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.23 1pcn n SER 35 Cb 0.09 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1pcn n SER 35 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pcn s LEU 36 N 0.00 3.31 -0.13 1.04 2.96 -1.26 -4.91 118.68 119.69 1pcn s LEU 36 Ca 0.00 -0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 52.99 1pcn s LEU 36 Cb 0.00 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1pcn s LEU 36 CO 0.00 -2.13 0.23 -0.44 -1.32 0.00 0.00 176.35 172.70 1pcn s SER 37 N 6.38 6.44 -0.06 3.68 0.01 -1.26 -4.04 113.70 124.85 1pcn s SER 37 Ca 0.56 0.52 0.03 0.00 1.31 0.00 0.00 55.95 58.37 1pcn s SER 37 Cb -0.05 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1pcn s SER 37 CO 0.00 0.25 -0.14 -0.60 0.41 0.00 0.00 173.24 173.17 1pcn s ARG 38 N -0.28 1.69 0.52 12.44 3.52 -0.87 -1.48 118.95 134.50 1pcn s ARG 38 Ca 0.16 -0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 55.07 1pcn s ARG 38 Cb -0.13 -1.42 -0.06 0.00 -1.56 0.00 0.00 34.95 31.78 1pcn s ARG 38 CO 0.04 0.10 1.22 0.00 -0.81 0.00 0.00 175.30 175.86 1pcn n ALA 40 N -0.97 0.06 -2.67 0.00 0.00 -0.36 -0.56 120.51 116.02 1pcn n ALA 40 Ca 0.10 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1pcn n ALA 40 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1pcn n ALA 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pcn s LEU 41 N 0.00 4.10 0.64 0.00 1.98 -1.26 -4.54 118.68 119.61 1pcn s LEU 41 Ca 0.03 -0.07 -0.14 0.00 -2.89 0.00 0.00 54.13 51.06 1pcn s LEU 41 Cb 0.00 -2.81 -0.01 0.00 0.66 0.00 0.00 46.19 44.03 1pcn s LEU 41 CO 0.02 -0.29 1.07 -1.59 -1.89 0.00 0.00 176.35 173.67 1pcn s LYS 42 N -4.11 3.04 0.47 1.98 -2.85 -1.26 -4.81 119.74 112.20 1pcn s LYS 42 Ca 0.41 1.21 -0.20 0.00 -1.00 0.00 0.00 55.97 56.38 1pcn s LYS 42 Cb -0.09 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 33.59 1pcn s LYS 42 CO 0.30 -1.04 1.01 0.00 0.10 0.00 0.00 175.35 175.73 1pcn s ALA 43 N -2.56 2.92 0.39 0.59 0.00 -0.08 -4.80 121.76 118.22 1pcn s ALA 43 Ca 0.63 0.54 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1pcn s ALA 43 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1pcn s ALA 43 CO 0.43 -0.19 0.24 1.03 0.00 0.00 0.00 175.76 177.26 1pcn s ARG 44 N -3.24 2.40 0.04 0.00 0.52 -1.26 -1.41 118.95 116.01 1pcn s ARG 44 Ca 0.66 -1.62 -0.36 0.00 -0.52 0.00 0.00 55.73 53.89 1pcn s ARG 44 Cb -0.14 -2.20 -0.15 0.00 0.52 0.00 0.00 34.95 32.98 1pcn s ARG 44 CO 0.18 -0.07 1.57 -1.91 0.02 0.00 0.00 175.30 175.09 1pcn n GLU 45 N -1.33 1.70 -1.02 3.54 2.13 -1.26 -1.64 120.64 122.76 1pcn n GLU 45 Ca -0.00 0.61 -0.01 0.00 0.66 0.00 0.00 57.16 58.43 1pcn n GLU 45 Cb 0.62 -2.34 -0.00 0.00 0.27 0.00 0.00 31.44 29.99 1pcn n GLU 45 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pcn n ASN 46 N 3.86 -3.27 -4.75 4.31 3.02 -0.29 -4.98 115.26 113.16 1pcn n ASN 46 Ca 0.19 0.01 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 1pcn n ASN 46 Cb 0.24 -0.82 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 1pcn n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pcn s SER 47 N -2.26 5.27 0.21 6.41 0.15 -0.65 -4.85 113.70 117.98 1pcn s SER 47 Ca 0.00 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 1pcn s SER 47 Cb 0.00 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.91 1pcn s SER 47 CO 0.00 0.10 1.38 -1.61 1.20 0.00 0.00 173.24 174.31 1pcn s GLU 48 N -2.85 4.33 0.01 5.44 2.02 -1.26 -1.60 118.70 124.79 1pcn s GLU 48 Ca 0.29 2.17 0.00 0.00 0.02 0.00 0.00 54.97 57.46 1pcn s GLU 48 Cb -0.10 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 1pcn s GLU 48 CO 0.21 -0.35 -0.03 0.00 0.02 0.00 0.00 175.26 175.12 1pcn s SER 50 N -0.66 7.08 0.25 0.00 0.15 -0.14 -1.67 113.70 118.71 1pcn s SER 50 Ca -0.06 1.42 0.07 0.00 0.70 0.00 0.00 55.95 58.08 1pcn s SER 50 Cb -0.05 -2.54 0.30 0.00 -1.71 0.00 0.00 66.02 62.03 1pcn s SER 50 CO -0.00 -0.69 1.59 0.00 1.20 0.00 0.00 173.24 175.34 1pcn h ALA 51 N 7.57 0.91 -2.86 5.45 0.00 -1.90 -3.39 119.26 125.04 1pcn h ALA 51 Ca -0.20 -0.55 -0.60 0.00 0.00 0.00 0.00 54.91 53.57 1pcn h ALA 51 Cb 1.07 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1pcn h ALA 51 CO 0.98 0.74 -0.60 -0.59 0.00 0.00 0.00 179.25 179.78 1pcn s PHE 52 N -3.71 3.05 -0.00 0.00 -0.12 -1.26 -4.99 117.98 110.95 1pcn s PHE 52 Ca -0.03 -0.04 0.05 0.00 -0.05 0.00 0.00 56.93 56.86 1pcn s PHE 52 Cb 0.12 -1.49 -0.01 0.00 -0.63 0.00 0.00 43.02 41.01 1pcn s PHE 52 CO 0.78 0.52 -0.16 0.95 -0.05 0.00 0.00 175.22 177.26 1pcn s THR 53 N -1.67 1.28 0.00 -4.49 -4.23 -1.26 -5.01 115.64 100.26 1pcn s THR 53 Ca 0.29 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1pcn s THR 53 Cb -0.10 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1pcn s THR 53 CO 0.21 0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.61 1pcn n LEU 54 N 2.57 0.00 -4.06 4.79 -0.00 -1.26 -5.02 117.00 114.02 1pcn n LEU 54 Ca -0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.43 1pcn n LEU 54 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1pcn n LEU 54 CO 0.24 -0.29 1.12 0.00 -0.00 0.00 0.00 177.39 178.46 1pcn n TYR 55 N -0.65 2.79 -2.66 1.47 9.36 -1.26 -4.95 117.16 121.26 1pcn n TYR 55 Ca 0.00 -2.81 0.00 0.00 3.32 0.00 0.00 57.90 58.41 1pcn n TYR 55 Cb 0.00 -1.37 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 1pcn n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pcn n GLY 56 N 1.62 -0.57 3.79 2.98 0.00 -1.26 -4.88 105.19 106.88 1pcn n GLY 56 Ca 0.26 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1pcn n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pcn s VAL 57 N -3.22 4.28 -0.06 1.61 1.01 -1.26 -3.13 120.40 119.63 1pcn s VAL 57 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1pcn s VAL 57 Cb 0.00 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1pcn s VAL 57 CO 0.00 0.06 -0.15 -0.31 0.00 0.00 0.00 175.10 174.71 1pcn s TYR 58 N -1.71 2.70 0.06 5.22 2.02 -0.25 -4.92 117.35 120.47 1pcn s TYR 58 Ca 0.52 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 1pcn s TYR 58 Cb -0.17 -1.64 -0.29 0.00 -0.40 0.00 0.00 41.96 39.46 1pcn s TYR 58 CO 0.21 0.15 1.10 1.88 -1.57 0.00 0.00 175.55 177.32 1pcn h TYR 59 N 5.47 0.84 -3.16 2.71 0.05 -1.87 -0.91 116.97 120.10 1pcn h TYR 59 Ca -0.45 -0.57 -0.48 0.00 0.05 0.00 0.00 58.73 57.29 1pcn h TYR 59 Cb 1.16 -0.05 -0.40 0.00 1.01 0.00 0.00 36.73 38.44 1pcn h TYR 59 CO 0.50 1.43 -0.76 0.15 -1.05 0.00 0.00 178.16 178.43 1pcn s LYS 60 N -2.82 0.31 0.70 4.88 -0.14 -1.26 -4.76 119.74 116.65 1pcn s LYS 60 Ca -0.08 -0.18 -0.16 0.00 -1.36 0.00 0.00 55.97 54.19 1pcn s LYS 60 Cb 0.06 -1.82 0.02 0.00 -1.68 0.00 0.00 37.83 34.41 1pcn s LYS 60 CO 0.92 -0.62 1.25 0.00 -0.76 0.00 0.00 175.35 176.14 1pcn s PRO 62 N -3.66 0.03 0.76 0.00 0.04 -1.26 -3.84 135.00 127.07 1pcn s PRO 62 Ca 0.79 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1pcn s PRO 62 Cb -0.34 -1.67 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1pcn s PRO 62 CO 0.43 -3.05 1.08 0.00 0.04 0.00 0.00 177.00 175.50 1pcn s GLU 64 N -5.01 -0.20 0.01 0.00 -1.05 -0.50 -4.74 118.70 107.21 1pcn s GLU 64 Ca 0.60 0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 55.51 1pcn s GLU 64 Cb -0.15 -1.68 -0.08 0.00 -0.44 0.00 0.00 34.13 31.78 1pcn s GLU 64 CO 0.55 -3.13 1.91 0.50 0.95 0.00 0.00 175.26 176.05 1pcn s ARG 65 N -5.01 4.11 0.00 -4.83 3.52 -1.26 -1.95 118.95 113.54 1pcn s ARG 65 Ca 0.67 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.77 1pcn s ARG 65 Cb -0.17 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 1pcn s ARG 65 CO 0.58 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 1pcn n GLY 66 N 4.50 2.08 3.75 8.12 0.00 -1.26 -5.08 105.19 117.30 1pcn n GLY 66 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1pcn n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pcn s LEU 67 N 0.00 3.79 0.18 0.99 1.02 -0.82 -3.43 118.68 120.40 1pcn s LEU 67 Ca 0.00 0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.30 1pcn s LEU 67 Cb 0.00 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 44.03 1pcn s LEU 67 CO 0.00 0.29 0.32 0.28 0.02 0.00 0.00 176.35 177.26 1pcn s THR 68 N -1.12 5.29 -0.33 5.49 -1.32 0.42 -4.53 115.64 119.55 1pcn s THR 68 Ca 0.21 -0.70 -0.19 0.00 -1.21 0.00 0.00 61.69 59.80 1pcn s THR 68 Cb -0.12 -3.77 -0.01 0.00 -1.51 0.00 0.00 72.50 67.10 1pcn s THR 68 CO 0.11 -0.16 0.55 0.00 -2.21 0.00 0.00 174.62 172.92 1pcn n GLU 70 N 5.78 3.74 -2.36 0.00 4.07 -0.23 -4.83 120.64 126.81 1pcn n GLU 70 Ca -0.03 -3.98 -0.43 0.00 -0.06 0.00 0.00 57.16 52.66 1pcn n GLU 70 Cb 0.49 -2.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.06 1pcn n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pcn n GLY 71 N 2.79 4.42 0.09 8.31 0.00 -1.26 -3.18 105.19 116.36 1pcn n GLY 71 Ca 0.34 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1pcn n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pcn n ASP 72 N 4.61 0.61 0.00 1.61 8.00 -1.26 -4.91 116.55 125.21 1pcn n ASP 72 Ca 0.41 0.22 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1pcn n ASP 72 Cb 0.38 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1pcn n ASP 72 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pcn n LYS 73 N -2.95 0.00 -4.30 -1.24 0.00 -1.26 -5.09 118.16 103.32 1pcn n LYS 73 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.73 1pcn n LYS 73 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 36.05 1pcn n LYS 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1pcn n SER 74 N -0.86 -0.33 -3.27 3.14 7.64 -1.26 -4.71 113.62 113.98 1pcn n SER 74 Ca 0.00 -1.20 -0.25 0.00 1.01 0.00 0.00 58.87 58.43 1pcn n SER 74 Cb 0.00 -1.97 -0.07 0.00 -1.01 0.00 0.00 64.21 61.16 1pcn n SER 74 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1pcn n LEU 75 N -4.42 2.22 -3.81 -3.43 7.94 -1.26 -4.17 117.00 110.08 1pcn n LEU 75 Ca -0.18 -5.15 -0.42 0.00 -1.11 0.00 0.00 56.01 49.15 1pcn n LEU 75 Cb 0.62 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1pcn n LEU 75 CO 0.86 2.11 2.23 0.55 -1.11 0.00 0.00 177.39 182.03 1pcn n VAL 76 N 0.90 4.03 -1.17 1.96 3.14 -1.26 -4.37 118.33 121.57 1pcn n VAL 76 Ca 0.26 -3.90 0.00 0.00 -2.96 0.00 0.00 64.34 57.75 1pcn n VAL 76 Cb 0.48 -2.45 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 1pcn n VAL 76 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pcn n GLY 77 N 3.25 -0.10 3.59 7.55 0.00 -1.26 -5.05 105.19 113.17 1pcn n GLY 77 Ca 0.44 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pcn n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pcn s SER 78 N -1.84 6.46 0.00 1.61 0.01 -1.26 -4.91 113.70 113.77 1pcn s SER 78 Ca 0.00 0.32 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 1pcn s SER 78 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1pcn s SER 78 CO 0.00 -0.51 -0.10 0.00 0.41 0.00 0.00 173.24 173.04 1pcn n ILE 79 N 5.45 1.15 -1.86 1.44 0.00 -1.26 -5.08 119.36 119.20 1pcn n ILE 79 Ca -0.01 0.26 -0.30 0.00 0.00 0.00 0.00 62.75 62.70 1pcn n ILE 79 Cb 0.49 -1.76 0.17 0.00 0.00 0.00 0.00 39.64 38.54 1pcn n ILE 79 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1pcn s THR 80 N -2.23 1.97 -1.05 9.51 2.01 -1.26 -4.95 115.64 119.64 1pcn s THR 80 Ca -0.08 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 1pcn s THR 80 Cb 0.02 -2.96 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 1pcn s THR 80 CO 0.12 0.00 2.20 -0.46 -0.69 0.00 0.00 174.62 175.79 1pcn n ASN 81 N -3.76 4.74 -3.93 3.53 2.04 -1.26 -4.79 115.26 111.83 1pcn n ASN 81 Ca 0.14 -2.51 -0.29 0.00 -0.44 0.00 0.00 54.58 51.47 1pcn n ASN 81 Cb 0.60 -1.23 -0.13 0.00 -2.53 0.00 0.00 39.78 36.49 1pcn n ASN 81 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1pcn s THR 82 N 3.63 2.81 -0.30 5.53 -4.23 -1.26 -4.98 115.64 116.83 1pcn s THR 82 Ca 0.50 -3.86 -0.00 0.00 -1.18 0.00 0.00 61.69 57.14 1pcn s THR 82 Cb 0.13 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 71.22 1pcn s THR 82 CO -0.00 -0.92 0.29 0.21 -0.54 0.00 0.00 174.62 173.65 1pcn s ASN 83 N -0.92 1.84 0.02 3.99 3.84 -1.26 -4.61 114.94 117.84 1pcn s ASN 83 Ca 0.21 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 52.30 1pcn s ASN 83 Cb -0.14 0.40 -0.02 0.00 -0.55 0.00 0.00 41.25 40.94 1pcn s ASN 83 CO -0.09 -0.37 -0.03 -0.36 -2.79 0.00 0.00 177.10 173.45 1pcn s PHE 84 N 2.16 0.28 0.73 0.43 0.08 -1.26 -4.90 117.98 115.49 1pcn s PHE 84 Ca 0.11 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 1pcn s PHE 84 Cb -0.15 -0.20 0.12 0.00 -0.57 0.00 0.00 43.02 42.23 1pcn s PHE 84 CO -0.28 -0.19 1.01 0.20 -0.10 0.00 0.00 175.22 175.86 1pcn s GLY 85 N -1.48 1.76 -0.06 4.36 0.00 -0.67 -4.62 107.32 106.61 1pcn s GLY 85 Ca -0.16 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.02 1pcn s GLY 85 CO -0.01 -1.02 -0.12 -0.42 0.00 0.00 0.00 173.10 171.53 1pcn s ILE 86 N -3.19 3.29 -0.09 0.90 -1.09 -1.19 -0.74 121.20 119.09 1pcn s ILE 86 Ca 0.66 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.15 1pcn s ILE 86 Cb -0.06 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1pcn s ILE 86 CO 0.45 0.59 1.48 0.00 -1.23 0.00 0.00 174.94 176.23 1pcn s HIS 88 N 3.67 0.56 -1.21 0.00 3.76 -0.71 -1.14 115.29 120.22 1pcn s HIS 88 Ca 0.65 -1.04 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 1pcn s HIS 88 Cb -0.29 -0.35 0.20 0.00 1.11 0.00 0.00 32.58 33.24 1pcn s HIS 88 CO 0.23 -0.46 1.55 -1.71 -0.85 0.00 0.00 174.74 173.51 1pcn n ASN 89 N 0.01 5.33 -0.07 1.40 5.15 -1.26 -0.43 115.26 125.39 1pcn n ASN 89 Ca -0.11 -3.07 -0.11 0.00 -0.60 0.00 0.00 54.58 50.69 1pcn n ASN 89 Cb 0.62 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.32 1pcn n ASN 89 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pcn n VAL 90 N 3.65 0.77 -1.43 3.44 0.31 -1.26 -4.85 118.33 118.95 1pcn n VAL 90 Ca 0.35 -0.27 -0.40 0.00 -0.01 0.00 0.00 64.34 64.02 1pcn n VAL 90 Cb 0.39 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.15 1pcn n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pcn n GLY 91 N 2.67 4.23 1.50 2.92 0.00 -1.22 -4.36 105.19 110.93 1pcn n GLY 91 Ca -0.25 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1pcn n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pcn n ARG 92 N 4.57 0.00 0.00 1.61 0.00 -1.25 -4.39 116.66 117.20 1pcn n ARG 92 Ca 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 1pcn n ARG 92 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1pcn n ARG 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06