#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pin n LEU 7 N 0.00 -1.07 -4.62 3.14 4.77 -1.26 -5.05 117.00 112.91 1pin n LEU 7 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1pin n LEU 7 Cb 0.00 0.56 0.19 0.00 -2.33 0.00 0.00 43.42 41.84 1pin n LEU 7 CO 0.00 0.00 0.61 -2.84 -1.33 0.00 0.00 177.39 173.83 1pin s PRO 8 N -4.52 0.35 -0.24 3.23 0.02 -1.26 -4.85 135.00 127.72 1pin s PRO 8 Ca 0.00 1.04 -0.43 0.00 0.02 0.00 0.00 61.00 61.63 1pin s PRO 8 Cb 0.00 -1.69 -0.19 0.00 0.02 0.00 0.00 34.50 32.64 1pin s PRO 8 CO 0.00 -2.93 1.38 -2.30 -0.33 0.00 0.00 177.00 172.82 1pin n PRO 9 N -4.39 0.15 0.00 5.54 -0.02 -1.26 -1.45 135.00 133.57 1pin n PRO 9 Ca 0.07 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1pin n PRO 9 Cb 0.54 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1pin n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pin n GLY 10 N 2.89 2.89 3.75 -1.23 0.00 -1.26 -4.87 105.19 107.37 1pin n GLY 10 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1pin n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pin s TRP 11 N -2.35 3.96 -0.10 1.61 0.52 -0.53 -0.21 118.94 121.85 1pin s TRP 11 Ca 0.00 1.86 -0.17 0.00 0.02 0.00 0.00 56.10 57.81 1pin s TRP 11 Cb 0.00 -2.95 0.04 0.00 -1.15 0.00 0.00 33.47 29.41 1pin s TRP 11 CO 0.00 0.45 0.42 -2.00 0.02 0.00 0.00 176.95 175.84 1pin s GLU 12 N -1.08 0.63 0.03 4.98 2.12 -0.13 -4.82 118.70 120.42 1pin s GLU 12 Ca 0.40 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.73 1pin s GLU 12 Cb -0.25 0.29 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 1pin s GLU 12 CO 0.31 -0.13 1.13 0.21 -0.54 0.00 0.00 175.26 176.24 1pin s LYS 13 N -0.46 4.46 0.36 4.30 2.20 -1.26 -1.12 119.74 128.22 1pin s LYS 13 Ca -0.06 1.66 0.03 0.00 -0.36 0.00 0.00 55.97 57.24 1pin s LYS 13 Cb -0.03 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1pin s LYS 13 CO 0.03 -0.21 0.11 1.03 -0.36 0.00 0.00 175.35 175.95 1pin s ARG 14 N 1.13 1.78 0.00 4.03 1.81 0.13 -4.94 118.95 122.89 1pin s ARG 14 Ca 0.56 -2.04 0.01 0.00 -1.72 0.00 0.00 55.73 52.54 1pin s ARG 14 Cb -0.26 -0.61 -0.01 0.00 -0.45 0.00 0.00 34.95 33.62 1pin s ARG 14 CO 0.28 -0.38 -0.03 1.41 -0.68 0.00 0.00 175.30 175.91 1pin s MET 15 N -3.80 0.21 0.33 3.54 -2.45 -1.26 -0.72 119.30 115.14 1pin s MET 15 Ca 0.30 -0.18 -0.29 0.00 -1.25 0.00 0.00 55.69 54.27 1pin s MET 15 Cb 0.05 -0.15 -0.10 0.00 1.25 0.00 0.00 34.83 35.88 1pin s MET 15 CO 0.15 0.04 1.26 -1.12 1.05 0.00 0.00 175.02 176.39 1pin s SER 16 N -0.30 6.86 0.34 1.11 0.01 -0.25 -4.96 113.70 116.51 1pin s SER 16 Ca -0.02 2.59 -0.29 0.00 1.31 0.00 0.00 55.95 59.54 1pin s SER 16 Cb -0.02 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1pin s SER 16 CO -0.00 -0.46 1.36 -0.13 0.41 0.00 0.00 173.24 174.41 1pin s ARG 17 N -1.75 4.29 -1.65 12.44 0.52 -1.26 -2.28 118.95 129.26 1pin s ARG 17 Ca 0.48 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 58.00 1pin s ARG 17 Cb -0.38 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1pin s ARG 17 CO 0.50 -0.28 0.00 0.45 0.02 0.00 0.00 175.30 175.99 1pin n SER 18 N 0.73 -5.21 -3.74 0.23 2.88 -1.26 -4.95 113.62 102.29 1pin n SER 18 Ca 0.00 0.13 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 1pin n SER 18 Cb 0.41 -4.29 -0.05 0.00 -0.75 0.00 0.00 64.21 59.53 1pin n SER 18 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pin s SER 19 N -2.39 0.31 0.00 -3.46 1.04 -0.97 -5.04 113.70 103.20 1pin s SER 19 Ca 0.00 -1.21 0.14 0.00 0.48 0.00 0.00 55.95 55.36 1pin s SER 19 Cb 0.00 0.58 0.38 0.00 0.10 0.00 0.00 66.02 67.08 1pin s SER 19 CO 0.00 -1.16 1.30 0.61 0.98 0.00 0.00 173.24 174.97 1pin n GLY 20 N -0.43 2.45 3.63 7.32 0.00 -1.26 -4.63 105.19 112.26 1pin n GLY 20 Ca -0.00 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1pin n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pin s ARG 21 N -1.02 3.84 -0.12 1.61 3.00 -1.26 -4.94 118.95 120.06 1pin s ARG 21 Ca 0.29 1.26 -0.11 0.00 0.00 0.00 0.00 55.73 57.17 1pin s ARG 21 Cb 0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 34.95 31.13 1pin s ARG 21 CO 0.21 -1.22 0.23 0.08 0.00 0.00 0.00 175.30 174.60 1pin s VAL 22 N 4.66 5.34 0.31 3.52 1.01 -1.26 -1.09 120.40 132.89 1pin s VAL 22 Ca 0.59 0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 1pin s VAL 22 Cb -0.17 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1pin s VAL 22 CO 0.25 0.51 0.47 0.00 0.00 0.00 0.00 175.10 176.34 1pin n TYR 23 N 2.69 -1.48 -4.98 5.22 4.11 0.10 -4.88 117.16 117.94 1pin n TYR 23 Ca -0.16 -1.94 -0.32 0.00 -0.00 0.00 0.00 57.90 55.48 1pin n TYR 23 Cb 0.53 0.54 -0.15 0.00 -0.00 0.00 0.00 39.34 40.26 1pin n TYR 23 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1pin s TYR 24 N -3.22 2.66 0.00 -3.48 1.51 0.35 0.18 117.35 115.35 1pin s TYR 24 Ca 0.23 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1pin s TYR 24 Cb -0.01 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1pin s TYR 24 CO 0.16 -0.11 -0.17 0.12 -1.11 0.00 0.00 175.55 174.45 1pin s PHE 25 N -0.12 1.51 -0.28 2.71 5.36 -0.28 -1.02 117.98 125.87 1pin s PHE 25 Ca -0.03 -0.31 -0.08 0.00 -0.96 0.00 0.00 56.93 55.56 1pin s PHE 25 Cb -0.14 -0.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.58 1pin s PHE 25 CO 0.04 0.00 0.09 1.21 -1.46 0.00 0.00 175.22 175.10 1pin s ASN 26 N -0.62 5.20 0.49 6.13 3.84 0.04 -0.96 114.94 129.06 1pin s ASN 26 Ca 0.06 -0.48 0.33 0.00 0.21 0.00 0.00 52.86 52.98 1pin s ASN 26 Cb -0.07 -1.92 1.45 0.00 -0.55 0.00 0.00 41.25 40.16 1pin s ASN 26 CO 0.00 -0.13 1.97 0.45 -2.79 0.00 0.00 177.10 176.60 1pin h HIS 27 N 8.26 0.00 0.08 0.43 3.86 -0.92 0.22 115.15 127.09 1pin h HIS 27 Ca -0.34 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.50 1pin h HIS 27 Cb 1.15 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.58 1pin h HIS 27 CO 0.64 0.00 -2.14 -0.89 0.86 0.00 0.00 177.93 176.40 1pin n ILE 28 N -2.85 1.68 0.89 2.45 5.41 -1.26 -4.50 119.36 121.18 1pin n ILE 28 Ca 0.00 -0.64 0.10 0.00 1.00 0.00 0.00 62.75 63.21 1pin n ILE 28 Cb 0.23 -1.60 -0.12 0.00 -0.71 0.00 0.00 39.64 37.45 1pin n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1pin n THR 29 N -3.39 0.00 -1.24 1.39 -2.24 -1.22 -4.06 114.28 103.52 1pin n THR 29 Ca -0.36 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1pin n THR 29 Cb 1.03 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 70.17 1pin n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pin n ASN 30 N -1.52 -4.88 -4.77 3.42 5.03 0.78 -0.94 115.26 112.39 1pin n ASN 30 Ca 0.03 0.20 -0.38 0.00 0.87 0.00 0.00 54.58 55.31 1pin n ASN 30 Cb 0.33 -3.10 -0.05 0.00 -1.02 0.00 0.00 39.78 35.93 1pin n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pin s ALA 31 N -2.01 3.24 -0.03 5.41 0.00 -1.23 -3.65 121.76 123.50 1pin s ALA 31 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1pin s ALA 31 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1pin s ALA 31 CO 0.00 0.00 -0.17 -1.12 0.00 0.00 0.00 175.76 174.47 1pin s SER 32 N -1.36 2.03 0.02 0.00 0.01 -1.26 -0.78 113.70 112.37 1pin s SER 32 Ca 0.49 -0.32 -0.21 0.00 1.31 0.00 0.00 55.95 57.22 1pin s SER 32 Cb -0.24 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.66 1pin s SER 32 CO 0.30 0.18 0.47 0.00 0.41 0.00 0.00 173.24 174.60 1pin s GLN 33 N -0.20 0.94 0.25 12.44 -2.07 -0.19 -5.00 119.66 125.84 1pin s GLN 33 Ca 0.02 -0.22 0.12 0.00 -1.82 0.00 0.00 55.36 53.46 1pin s GLN 33 Cb -0.09 0.43 0.23 0.00 -1.09 0.00 0.00 33.01 32.49 1pin s GLN 33 CO 0.01 -0.32 1.52 -1.49 -1.32 0.00 0.00 175.29 173.69 1pin h TRP 34 N 3.06 0.00 -3.65 9.60 4.06 -1.90 0.10 115.95 127.22 1pin h TRP 34 Ca -0.30 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.14 1pin h TRP 34 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1pin h TRP 34 CO 0.41 0.66 0.44 -1.21 -3.56 0.00 0.00 178.44 175.18 1pin s GLU 35 N -3.27 4.66 0.20 0.49 8.01 -1.26 -4.59 118.70 122.94 1pin s GLU 35 Ca 0.00 1.67 -0.31 0.00 0.01 0.00 0.00 54.97 56.34 1pin s GLU 35 Cb 0.11 -3.27 -0.11 0.00 -4.31 0.00 0.00 34.13 26.56 1pin s GLU 35 CO 0.76 0.20 1.58 0.50 0.01 0.00 0.00 175.26 178.31 1pin s ARG 36 N -0.73 4.20 0.00 1.61 3.52 -1.26 -4.68 118.95 121.61 1pin s ARG 36 Ca 0.46 2.42 0.08 0.00 -0.13 0.00 0.00 55.73 58.56 1pin s ARG 36 Cb -0.29 -3.12 0.47 0.00 -1.56 0.00 0.00 34.95 30.45 1pin s ARG 36 CO 0.35 -0.61 1.00 -0.35 -0.81 0.00 0.00 175.30 174.88 1pin n PRO 37 N 3.51 0.62 -3.78 5.12 -0.04 -1.26 -4.83 135.00 134.34 1pin n PRO 37 Ca 0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1pin n PRO 37 Cb 0.38 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.63 1pin n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1pin s SER 38 N -1.63 -0.19 0.00 3.54 1.04 -1.26 -4.84 113.70 110.37 1pin s SER 38 Ca 0.12 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1pin s SER 38 Cb 0.05 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1pin s SER 38 CO 0.09 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1pin n GLY 39 N -0.48 0.82 3.40 7.32 0.00 -1.26 -5.05 105.19 109.93 1pin n GLY 39 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1pin n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pin s GLY 45 N -0.87 -0.37 -0.11 -0.02 0.00 -1.26 -5.11 107.32 99.58 1pin s GLY 45 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 44.72 45.91 1pin s GLY 45 CO 0.00 1.02 0.11 1.25 0.00 0.00 0.00 173.10 175.48 1pin s LYS 46 N -0.18 3.34 -0.08 2.90 2.20 -1.26 -5.11 119.74 121.55 1pin s LYS 46 Ca -0.04 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.27 1pin s LYS 46 Cb -0.03 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1pin s LYS 46 CO 0.02 0.75 0.27 0.54 -0.36 0.00 0.00 175.35 176.57 1pin s ASN 47 N -0.97 -0.25 0.00 1.43 4.22 -1.26 -4.84 114.94 113.27 1pin s ASN 47 Ca 0.14 0.44 0.00 0.00 -2.14 0.00 0.00 52.86 51.30 1pin s ASN 47 Cb -0.12 0.50 0.00 0.00 1.28 0.00 0.00 41.25 42.91 1pin s ASN 47 CO 0.03 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.55 1pin n GLY 48 N 2.63 0.45 0.20 0.45 0.00 -1.26 -4.96 105.19 102.69 1pin n GLY 48 Ca -0.15 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 1pin n GLY 48 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pin h GLN 49 N 0.34 0.21 0.00 1.61 4.15 -2.04 -3.49 115.11 115.90 1pin h GLN 49 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1pin h GLN 49 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1pin h GLN 49 CO 0.00 0.56 0.00 0.41 -1.93 0.00 0.00 178.83 177.87 1pin n GLY 50 N -0.29 0.93 3.49 2.39 0.00 -1.26 -4.80 105.19 105.65 1pin n GLY 50 Ca -0.01 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1pin n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pin s GLU 51 N 0.00 1.70 0.65 1.61 -1.05 -1.26 -5.10 118.70 115.26 1pin s GLU 51 Ca 0.00 -1.83 -0.17 0.00 -0.15 0.00 0.00 54.97 52.82 1pin s GLU 51 Cb 0.00 -1.65 -0.00 0.00 -0.44 0.00 0.00 34.13 32.04 1pin s GLU 51 CO 0.00 0.22 1.18 -1.25 0.95 0.00 0.00 175.26 176.36 1pin s PRO 52 N -3.58 2.66 0.28 -4.83 0.04 -1.26 -4.92 135.00 123.39 1pin s PRO 52 Ca 0.31 1.69 0.20 0.00 0.04 0.00 0.00 61.00 63.23 1pin s PRO 52 Cb -0.01 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.74 1pin s PRO 52 CO 0.15 -1.42 1.30 0.00 0.04 0.00 0.00 177.00 177.07 1pin h ALA 53 N 0.28 0.74 -3.08 8.56 0.00 -1.98 -3.46 119.26 120.32 1pin h ALA 53 Ca -0.49 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.02 1pin h ALA 53 Cb 1.28 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.85 1pin h ALA 53 CO 0.53 0.30 -0.45 0.50 0.00 0.00 0.00 179.25 180.13 1pin s ARG 54 N -3.14 0.32 0.12 0.00 3.52 -1.26 -4.48 118.95 114.03 1pin s ARG 54 Ca 0.03 0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1pin s ARG 54 Cb 0.07 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1pin s ARG 54 CO 0.74 -0.05 0.03 0.14 -0.81 0.00 0.00 175.30 175.35 1pin s VAL 55 N -0.20 0.23 -0.08 7.11 -7.23 -0.76 -4.97 120.40 114.50 1pin s VAL 55 Ca -0.03 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1pin s VAL 55 Cb -0.03 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.97 1pin s VAL 55 CO 0.01 -0.57 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.49 1pin s ARG 56 N -4.00 1.90 0.12 4.82 3.52 0.07 -0.64 118.95 124.74 1pin s ARG 56 Ca 0.21 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1pin s ARG 56 Cb 0.07 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 31.82 1pin s ARG 56 CO -0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 175.30 174.42 1pin s SER 58 N -3.09 3.39 0.12 0.00 0.01 0.02 -1.22 113.70 112.93 1pin s SER 58 Ca 0.15 -0.92 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1pin s SER 58 Cb 0.05 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1pin s SER 58 CO -0.02 0.08 0.27 -1.38 0.41 0.00 0.00 173.24 172.59 1pin s HIS 59 N -1.99 0.12 -0.18 2.43 -3.43 -0.42 -0.65 115.29 111.16 1pin s HIS 59 Ca 0.23 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1pin s HIS 59 Cb -0.07 0.03 0.04 0.00 -1.43 0.00 0.00 32.58 31.16 1pin s HIS 59 CO 0.11 -0.63 -0.08 -1.17 -2.00 0.00 0.00 174.74 170.97 1pin s LEU 60 N -2.87 1.92 -0.14 5.38 0.20 -0.01 -4.55 118.68 118.60 1pin s LEU 60 Ca 0.07 -0.77 -0.06 0.00 0.69 0.00 0.00 54.13 54.07 1pin s LEU 60 Cb 0.04 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.70 1pin s LEU 60 CO -0.08 -0.17 0.07 -0.22 -0.29 0.00 0.00 176.35 175.66 1pin s LEU 61 N 1.52 3.91 -0.26 -0.68 2.96 -1.26 -1.00 118.68 123.87 1pin s LEU 61 Ca -0.00 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1pin s LEU 61 Cb -0.16 -1.96 0.06 0.00 0.50 0.00 0.00 46.19 44.64 1pin s LEU 61 CO -0.08 0.28 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.47 1pin s VAL 62 N -0.29 1.94 0.80 1.68 1.01 -0.09 -0.15 120.40 125.31 1pin s VAL 62 Ca 0.09 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.40 1pin s VAL 62 Cb -0.12 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.20 1pin s VAL 62 CO 0.01 -0.11 1.17 -0.54 0.00 0.00 0.00 175.10 175.63 1pin s LYS 63 N 1.19 1.97 0.28 2.72 1.02 -1.26 -1.83 119.74 123.83 1pin s LYS 63 Ca -0.06 0.07 -0.05 0.00 0.02 0.00 0.00 55.97 55.95 1pin s LYS 63 Cb -0.19 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1pin s LYS 63 CO -0.06 -1.57 0.38 -3.38 -0.92 0.00 0.00 175.35 169.80 1pin s HIS 64 N -3.55 0.90 0.56 3.18 -3.43 -1.26 -4.80 115.29 106.89 1pin s HIS 64 Ca 0.62 -1.15 0.28 0.00 -0.80 0.00 0.00 55.06 54.00 1pin s HIS 64 Cb -0.11 -0.15 1.48 0.00 -1.43 0.00 0.00 32.58 32.38 1pin s HIS 64 CO 0.49 -0.96 1.97 0.66 -2.00 0.00 0.00 174.74 174.90 1pin h SER 65 N 2.28 0.00 -0.14 7.38 4.64 -0.58 -0.23 113.55 126.91 1pin h SER 65 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1pin h SER 65 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1pin h SER 65 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 1pin n GLN 66 N -4.03 1.59 -2.04 4.77 1.13 -1.26 -4.79 117.38 112.75 1pin n GLN 66 Ca 0.08 -0.89 -0.38 0.00 -1.94 0.00 0.00 57.00 53.87 1pin n GLN 66 Cb 0.61 -1.37 0.01 0.00 0.11 0.00 0.00 30.24 29.59 1pin n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1pin s SER 67 N -1.56 5.93 0.37 1.08 0.01 -0.10 -4.88 113.70 114.55 1pin s SER 67 Ca 0.31 2.57 0.13 0.00 1.31 0.00 0.00 55.95 60.28 1pin s SER 67 Cb 0.16 -2.63 0.95 0.00 0.21 0.00 0.00 66.02 64.71 1pin s SER 67 CO 0.25 -1.10 1.81 0.08 0.41 0.00 0.00 173.24 174.69 1pin h ARG 68 N 2.08 0.54 -3.03 12.44 0.11 -1.68 -3.16 114.38 121.69 1pin h ARG 68 Ca -0.50 -0.03 -0.61 0.00 0.10 0.00 0.00 59.98 58.94 1pin h ARG 68 Cb 1.26 -0.12 -0.40 0.00 1.11 0.00 0.00 29.97 31.82 1pin h ARG 68 CO 0.60 0.36 -0.75 0.50 0.10 0.00 0.00 179.97 180.78 1pin s ARG 69 N -5.61 1.15 -1.41 0.08 3.52 -1.26 -5.03 118.95 110.38 1pin s ARG 69 Ca -0.09 -1.83 -0.13 0.00 -0.13 0.00 0.00 55.73 53.55 1pin s ARG 69 Cb 0.24 -2.20 -0.02 0.00 -1.56 0.00 0.00 34.95 31.41 1pin s ARG 69 CO 0.79 -1.14 2.41 -0.35 -0.81 0.00 0.00 175.30 176.20 1pin n PRO 70 N 3.75 2.92 -3.56 5.12 -0.04 -1.20 -4.78 135.00 137.22 1pin n PRO 70 Ca 0.08 -2.35 -0.16 0.00 -0.04 0.00 0.00 63.50 61.03 1pin n PRO 70 Cb 0.36 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 1pin n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pin s SER 71 N 3.09 -0.55 0.35 3.54 0.15 -1.26 -1.31 113.70 117.70 1pin s SER 71 Ca 0.54 0.51 -0.17 0.00 0.70 0.00 0.00 55.95 57.53 1pin s SER 71 Cb 0.15 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 65.02 1pin s SER 71 CO -0.06 -0.62 0.85 -0.94 1.20 0.00 0.00 173.24 173.67 1pin s SER 72 N -1.41 0.02 0.47 5.45 1.04 -0.24 -4.98 113.70 114.06 1pin s SER 72 Ca -0.10 -1.08 0.32 0.00 0.48 0.00 0.00 55.95 55.57 1pin s SER 72 Cb -0.01 0.79 1.45 0.00 0.10 0.00 0.00 66.02 68.34 1pin s SER 72 CO 0.06 -1.56 1.95 4.11 0.98 0.00 0.00 173.24 178.77 1pin h TRP 73 N 2.00 0.00 0.02 5.02 5.08 -1.93 -2.22 115.95 123.92 1pin h TRP 73 Ca -0.32 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.43 1pin h TRP 73 Cb 1.24 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.38 1pin h TRP 73 CO 1.42 0.00 -1.07 0.00 -1.28 0.00 0.00 178.44 177.51 1pin h ARG 74 N 0.00 0.04 -1.57 0.12 3.08 -1.89 -3.47 114.38 110.69 1pin h ARG 74 Ca 0.00 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.06 1pin h ARG 74 Cb 0.31 0.03 -0.27 0.00 0.08 0.00 0.00 29.97 30.12 1pin h ARG 74 CO 0.00 1.01 0.43 1.14 -1.07 0.00 0.00 179.97 181.48 1pin s GLN 75 N -2.70 0.46 0.40 0.04 -2.07 -0.84 -5.03 119.66 109.92 1pin s GLN 75 Ca -0.00 0.62 0.11 0.00 -1.82 0.00 0.00 55.36 54.27 1pin s GLN 75 Cb 0.09 0.18 0.92 0.00 -1.09 0.00 0.00 33.01 33.12 1pin s GLN 75 CO 0.83 -0.07 1.95 1.49 -1.32 0.00 0.00 175.29 178.17 1pin h GLU 76 N 4.87 0.53 -3.53 9.60 4.81 -1.92 -0.61 114.58 128.34 1pin h GLU 76 Ca -0.28 -0.03 -0.43 0.00 -0.13 0.00 0.00 59.36 58.48 1pin h GLU 76 Cb 1.18 -0.12 -0.39 0.00 0.63 0.00 0.00 28.75 30.06 1pin h GLU 76 CO 0.14 0.35 -0.76 0.21 -0.73 0.00 0.00 179.01 178.22 1pin s LYS 77 N -5.51 0.39 -0.22 1.92 2.47 -1.26 -4.32 119.74 113.22 1pin s LYS 77 Ca -0.09 0.09 -0.23 0.00 -1.56 0.00 0.00 55.97 54.19 1pin s LYS 77 Cb 0.20 -1.08 -0.01 0.00 -1.46 0.00 0.00 37.83 35.48 1pin s LYS 77 CO 0.76 -0.39 0.74 0.42 0.16 0.00 0.00 175.35 177.05 1pin s ILE 78 N 2.02 4.92 -0.63 5.43 -1.09 -0.43 -4.92 121.20 126.51 1pin s ILE 78 Ca 0.04 1.40 0.10 0.00 -2.23 0.00 0.00 60.65 59.96 1pin s ILE 78 Cb -0.13 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 1pin s ILE 78 CO -0.05 0.01 0.49 0.35 -1.23 0.00 0.00 174.94 174.51 1pin n THR 79 N 5.00 0.00 -1.79 2.92 -2.24 -1.26 -3.93 114.28 112.98 1pin n THR 79 Ca 0.02 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1pin n THR 79 Cb 0.49 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.81 1pin n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pin s ARG 80 N -1.74 2.83 0.74 -0.78 1.70 -1.26 -4.52 118.95 115.92 1pin s ARG 80 Ca 0.05 2.10 -0.09 0.00 -0.47 0.00 0.00 55.73 57.33 1pin s ARG 80 Cb 0.08 -2.01 0.07 0.00 -0.57 0.00 0.00 34.95 32.51 1pin s ARG 80 CO 0.35 -1.40 1.08 0.95 -1.08 0.00 0.00 175.30 175.20 1pin s THR 81 N -1.38 2.21 0.32 4.99 -4.23 -1.26 -0.04 115.64 116.25 1pin s THR 81 Ca 0.78 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1pin s THR 81 Cb -0.38 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.70 1pin s THR 81 CO 0.42 -0.02 1.98 0.11 -0.54 0.00 0.00 174.62 176.57 1pin h LYS 82 N -0.77 0.95 -0.29 3.99 1.57 -1.94 -0.75 116.57 119.33 1pin h LYS 82 Ca -0.45 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1pin h LYS 82 Cb 1.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1pin h LYS 82 CO 0.63 0.64 0.06 0.93 -0.57 0.00 0.00 179.45 181.14 1pin h GLU 83 N 0.98 0.46 -0.31 3.15 3.07 -1.99 -1.47 114.58 118.47 1pin h GLU 83 Ca 0.26 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 1pin h GLU 83 Cb -0.09 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1pin h GLU 83 CO -0.05 0.55 -0.25 0.93 -1.40 0.00 0.00 179.01 178.79 1pin h GLU 84 N 0.30 0.61 -0.55 2.33 5.08 -1.81 -1.38 114.58 119.15 1pin h GLU 84 Ca 0.09 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1pin h GLU 84 Cb 0.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1pin h GLU 84 CO 0.00 0.80 0.25 0.00 -1.00 0.00 0.00 179.01 179.07 1pin h ALA 85 N 1.20 0.71 -0.44 3.43 0.00 -1.00 -0.81 119.26 122.35 1pin h ALA 85 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1pin h ALA 85 Cb 0.71 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1pin h ALA 85 CO 0.05 0.29 -0.02 1.25 0.00 0.00 0.00 179.25 180.83 1pin h LEU 86 N 0.75 0.70 -0.22 0.00 5.85 -1.02 -0.72 115.31 120.64 1pin h LEU 86 Ca 0.19 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1pin h LEU 86 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1pin h LEU 86 CO -0.02 0.78 0.12 1.05 -0.34 0.00 0.00 178.44 180.03 1pin h GLU 87 N 0.69 0.25 -0.23 1.25 4.11 -0.59 -0.63 114.58 119.42 1pin h GLU 87 Ca 0.13 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1pin h GLU 87 Cb 0.45 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1pin h GLU 87 CO 0.02 0.16 0.10 -0.07 0.07 0.00 0.00 179.01 179.29 1pin h LEU 88 N 0.25 0.32 -0.43 3.06 3.38 -0.80 -2.01 115.31 119.09 1pin h LEU 88 Ca 0.09 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1pin h LEU 88 Cb 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1pin h LEU 88 CO -0.05 0.40 0.19 0.40 0.09 0.00 0.00 178.44 179.46 1pin h ILE 89 N 0.23 0.92 -0.61 1.22 1.08 -0.85 -0.05 117.51 119.44 1pin h ILE 89 Ca 0.08 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1pin h ILE 89 Cb 0.17 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1pin h ILE 89 CO -0.01 0.07 0.30 0.78 -0.69 0.00 0.00 178.15 178.60 1pin h ASN 90 N 0.38 0.77 -0.57 1.72 2.35 -0.99 -0.74 115.58 118.49 1pin h ASN 90 Ca 0.19 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1pin h ASN 90 Cb 0.14 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1pin h ASN 90 CO -0.17 0.65 0.04 1.23 -1.65 0.00 0.00 177.43 177.53 1pin h GLY 91 N 0.94 1.07 0.98 2.83 0.00 -0.51 -1.08 103.07 107.31 1pin h GLY 91 Ca 0.21 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1pin h GLY 91 CO -0.03 0.69 0.02 -0.97 0.00 0.00 0.00 176.54 176.25 1pin h TYR 92 N 0.88 0.88 -0.65 5.60 0.05 -0.31 -0.98 116.97 122.44 1pin h TYR 92 Ca 0.17 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1pin h TYR 92 Cb 0.49 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1pin h TYR 92 CO 0.04 0.84 0.43 0.82 -1.05 0.00 0.00 178.16 179.23 1pin h ILE 93 N 0.66 1.17 -0.28 -2.88 2.04 -1.03 -0.77 117.51 116.42 1pin h ILE 93 Ca 0.13 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1pin h ILE 93 Cb 0.47 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1pin h ILE 93 CO 0.02 0.16 0.18 -0.61 0.00 0.00 0.00 178.15 177.91 1pin h GLN 94 N 0.89 0.36 -0.74 2.37 -0.00 -0.91 -0.13 115.11 116.95 1pin h GLN 94 Ca 0.24 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.81 1pin h GLN 94 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.27 1pin h GLN 94 CO -0.05 0.24 0.25 -0.22 0.00 0.00 0.00 178.83 179.05 1pin h LYS 95 N 0.37 1.14 -0.21 1.69 3.64 -0.85 -1.32 116.57 121.03 1pin h LYS 95 Ca 0.10 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1pin h LYS 95 Cb -0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1pin h LYS 95 CO -0.02 0.95 -0.07 0.82 -2.27 0.00 0.00 179.45 178.86 1pin h ILE 96 N 1.09 1.29 0.00 2.00 2.04 -0.83 -2.92 117.51 120.19 1pin h ILE 96 Ca 0.24 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1pin h ILE 96 Cb 0.28 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1pin h ILE 96 CO -0.01 0.33 -0.11 0.11 0.00 0.00 0.00 178.15 178.47 1pin h LYS 97 N 0.12 0.00 0.00 2.37 1.57 -0.85 -1.95 116.57 117.83 1pin h LYS 97 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1pin h LYS 97 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1pin h LYS 97 CO 0.02 0.11 -0.36 0.66 -0.57 0.00 0.00 179.45 179.31 1pin h SER 98 N 0.00 0.00 0.00 0.86 4.64 -1.07 -3.47 113.55 114.51 1pin h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pin h SER 98 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1pin h SER 98 CO 0.01 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 1pin n GLY 99 N 0.79 0.74 0.17 -0.77 0.00 -0.73 -4.95 105.19 100.44 1pin n GLY 99 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1pin n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pin h GLU 100 N 4.13 0.18 -4.27 1.61 4.81 -1.78 -3.44 114.58 115.83 1pin h GLU 100 Ca 0.00 -0.11 -0.27 0.00 -0.13 0.00 0.00 59.36 58.85 1pin h GLU 100 Cb 0.00 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 29.15 1pin h GLU 100 CO 0.00 0.68 -0.73 -1.21 -0.73 0.00 0.00 179.01 177.01 1pin s GLU 101 N -3.87 0.38 0.24 1.92 0.41 -1.19 -5.06 118.70 111.54 1pin s GLU 101 Ca -0.04 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.09 1pin s GLU 101 Cb 0.13 -0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 32.22 1pin s GLU 101 CO 0.78 0.05 0.41 0.16 -0.49 0.00 0.00 175.26 176.16 1pin s ASP 102 N -0.89 6.35 0.15 -0.19 -4.77 -1.26 -4.05 116.67 112.01 1pin s ASP 102 Ca -0.06 0.31 -0.20 0.00 -3.30 0.00 0.00 52.55 49.30 1pin s ASP 102 Cb -0.06 -1.97 0.03 0.00 -1.09 0.00 0.00 42.92 39.82 1pin s ASP 102 CO -0.00 -0.09 1.66 0.15 0.70 0.00 0.00 175.17 177.59 1pin h PHE 103 N 1.56 -0.36 -0.66 2.11 3.04 -1.98 -2.54 116.94 118.11 1pin h PHE 103 Ca -0.49 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.52 1pin h PHE 103 Cb 1.21 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.87 1pin h PHE 103 CO 0.52 -0.22 0.40 0.93 -2.02 0.00 0.00 178.31 177.92 1pin h GLU 104 N -0.13 0.75 -0.41 1.11 3.07 -1.96 0.48 114.58 117.49 1pin h GLU 104 Ca 0.13 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 1pin h GLU 104 Cb 0.33 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1pin h GLU 104 CO -0.32 0.50 -0.24 0.66 -1.40 0.00 0.00 179.01 178.20 1pin h SER 105 N 0.78 0.93 -0.67 1.42 4.64 -1.87 -1.16 113.55 117.61 1pin h SER 105 Ca 0.27 -0.42 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1pin h SER 105 Cb 0.06 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1pin h SER 105 CO -0.12 1.15 0.20 -0.07 -0.87 0.00 0.00 176.83 177.12 1pin h LEU 106 N 0.72 0.98 -0.50 5.97 3.38 -1.10 -2.13 115.31 122.62 1pin h LEU 106 Ca 0.09 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1pin h LEU 106 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1pin h LEU 106 CO 0.07 0.93 0.08 0.00 0.09 0.00 0.00 178.44 179.61 1pin h ALA 107 N 1.09 0.67 -0.66 1.53 0.00 -0.80 0.11 119.26 121.20 1pin h ALA 107 Ca 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pin h ALA 107 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1pin h ALA 107 CO -0.01 0.40 0.43 0.77 0.00 0.00 0.00 179.25 180.85 1pin h SER 108 N 0.71 0.71 0.15 0.00 0.02 -1.00 -1.64 113.55 112.50 1pin h SER 108 Ca 0.15 -0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.74 1pin h SER 108 Cb 0.40 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1pin h SER 108 CO 0.01 0.50 -1.85 1.56 -1.14 0.00 0.00 176.83 175.92 1pin h GLN 109 N 0.83 0.31 -0.00 3.45 4.20 -1.14 -3.43 115.11 119.33 1pin h GLN 109 Ca 0.25 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1pin h GLN 109 Cb -0.01 0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1pin h GLN 109 CO -0.06 1.26 -0.13 1.19 -0.67 0.00 0.00 178.83 180.41 1pin n PHE 110 N -3.58 0.00 -2.38 2.96 3.72 0.36 -5.00 117.46 113.55 1pin n PHE 110 Ca -0.29 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.70 1pin n PHE 110 Cb 1.04 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 1pin n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pin s SER 111 N -1.02 7.05 0.00 4.37 0.15 -0.62 -4.78 113.70 118.85 1pin s SER 111 Ca 0.05 2.11 0.25 0.00 0.70 0.00 0.00 55.95 59.06 1pin s SER 111 Cb 0.05 -2.59 1.43 0.00 -1.71 0.00 0.00 66.02 63.20 1pin s SER 111 CO 0.15 -0.47 1.93 0.47 1.20 0.00 0.00 173.24 176.53 1pin n ASP 112 N 3.57 0.17 -4.87 5.45 8.00 0.79 -4.74 116.55 124.92 1pin n ASP 112 Ca 0.08 -1.26 -0.35 0.00 0.71 0.00 0.00 54.79 53.97 1pin n ASP 112 Cb 0.45 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1pin n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pin h SER 114 N 3.89 0.00 0.02 0.00 4.64 -2.00 -0.59 113.55 119.51 1pin h SER 114 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1pin h SER 114 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1pin h SER 114 CO 0.66 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 1pin n SER 115 N -3.62 0.00 -0.05 4.97 3.41 -1.26 -1.62 113.62 115.45 1pin n SER 115 Ca -0.01 0.47 0.16 0.00 -0.26 0.00 0.00 58.87 59.22 1pin n SER 115 Cb 0.18 -0.47 0.59 0.00 -0.26 0.00 0.00 64.21 64.26 1pin n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pin h ALA 116 N 2.03 2.25 0.00 7.33 0.00 -1.36 0.20 119.26 129.71 1pin h ALA 116 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pin h ALA 116 Cb 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pin h ALA 116 CO 0.00 -0.40 -0.05 1.57 0.00 0.00 0.00 179.25 180.37 1pin h LYS 117 N 0.21 0.00 -0.71 0.00 2.10 -1.56 -0.00 116.57 116.61 1pin h LYS 117 Ca 0.27 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.52 1pin h LYS 117 Cb 0.79 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.88 1pin h LYS 117 CO -0.05 0.05 0.27 0.00 -2.00 0.00 0.00 179.45 177.72 1pin n ALA 118 N -2.41 5.15 -2.67 0.07 0.00 0.20 -4.89 120.51 115.96 1pin n ALA 118 Ca -0.03 -3.15 -0.19 0.00 0.00 0.00 0.00 53.44 50.07 1pin n ALA 118 Cb 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1pin n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pin n ARG 119 N -1.08 -2.77 -0.21 0.00 1.74 -0.01 -1.71 116.66 112.62 1pin n ARG 119 Ca 0.48 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.34 1pin n ARG 119 Cb 1.22 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 1pin n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pin n GLY 120 N -1.07 1.47 3.72 -0.13 0.00 0.47 -4.60 105.19 105.05 1pin n GLY 120 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1pin n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pin s ASP 121 N -3.14 6.59 0.00 1.61 2.15 -0.69 -1.31 116.67 121.88 1pin s ASP 121 Ca 0.00 2.64 0.15 0.00 0.43 0.00 0.00 52.55 55.77 1pin s ASP 121 Cb 0.00 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 1pin s ASP 121 CO 0.00 -0.81 0.72 0.18 -0.17 0.00 0.00 175.17 175.09 1pin n LEU 122 N 3.60 1.16 0.00 -1.34 4.77 -0.36 -4.83 117.00 120.00 1pin n LEU 122 Ca 0.12 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1pin n LEU 122 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1pin n LEU 122 CO 0.61 0.24 -0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1pin n GLY 123 N 1.21 -2.22 3.84 -0.72 0.00 -1.25 -4.91 105.19 101.13 1pin n GLY 123 Ca 0.05 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1pin n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pin s ALA 124 N -1.00 3.22 0.17 4.61 0.00 -1.26 -3.47 121.76 124.03 1pin s ALA 124 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 1pin s ALA 124 Cb 0.00 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1pin s ALA 124 CO 0.00 0.23 0.55 -0.59 0.00 0.00 0.00 175.76 175.95 1pin s PHE 125 N -2.09 -0.33 0.50 0.00 -0.71 0.18 -4.97 117.98 110.55 1pin s PHE 125 Ca 0.57 0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.54 1pin s PHE 125 Cb -0.10 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 1pin s PHE 125 CO 0.17 -0.88 0.19 -1.12 -1.34 0.00 0.00 175.22 172.25 1pin s SER 126 N -2.81 4.37 0.55 1.98 0.01 -1.26 -1.82 113.70 114.72 1pin s SER 126 Ca 0.05 -1.36 -0.20 0.00 1.31 0.00 0.00 55.95 55.74 1pin s SER 126 Cb -0.01 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1pin s SER 126 CO -0.08 -0.86 1.20 -0.13 0.41 0.00 0.00 173.24 173.79 1pin s ARG 127 N -4.02 3.24 0.00 12.44 0.52 -1.26 -3.58 118.95 126.29 1pin s ARG 127 Ca 0.25 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1pin s ARG 127 Cb 0.01 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1pin s ARG 127 CO 0.15 -0.99 0.00 0.41 0.02 0.00 0.00 175.30 174.89 1pin n GLY 128 N 0.46 0.18 0.13 -3.53 0.00 -1.26 -4.96 105.19 96.21 1pin n GLY 128 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1pin n GLY 128 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pin n GLN 129 N -1.78 0.63 -3.81 1.61 -0.06 -1.23 -5.01 117.38 107.72 1pin n GLN 129 Ca 0.00 0.34 -0.21 0.00 -2.00 0.00 0.00 57.00 55.13 1pin n GLN 129 Cb 0.00 -1.62 -0.02 0.00 -4.06 0.00 0.00 30.24 24.55 1pin n GLN 129 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 1pin s MET 130 N -2.48 3.40 0.30 3.69 1.00 -1.26 -5.05 119.30 118.90 1pin s MET 130 Ca -0.32 -0.73 -0.29 0.00 0.00 0.00 0.00 55.69 54.35 1pin s MET 130 Cb 0.09 -2.84 -0.13 0.00 0.00 0.00 0.00 34.83 31.95 1pin s MET 130 CO 0.59 0.33 1.32 1.04 0.00 0.00 0.00 175.02 178.31 1pin n GLN 131 N -1.50 2.04 -0.37 2.03 6.02 -1.26 -4.59 117.38 119.75 1pin n GLN 131 Ca -0.07 0.72 -0.04 0.00 -0.01 0.00 0.00 57.00 57.60 1pin n GLN 131 Cb 0.57 -2.32 -0.01 0.00 1.02 0.00 0.00 30.24 29.50 1pin n GLN 131 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1pin n LYS 132 N 1.17 -0.29 -0.02 -1.09 3.00 -1.26 -0.81 118.16 118.86 1pin n LYS 132 Ca 0.08 1.43 0.01 0.00 -0.00 0.00 0.00 58.31 59.83 1pin n LYS 132 Cb 0.34 -2.12 0.33 0.00 0.00 0.00 0.00 35.03 33.58 1pin n LYS 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1pin h PRO 133 N 0.00 0.57 -0.20 1.64 0.11 -1.90 0.12 132.00 132.34 1pin h PRO 133 Ca 0.26 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1pin h PRO 133 Cb 0.50 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1pin h PRO 133 CO -0.91 0.51 0.05 0.35 -0.21 0.00 0.00 178.00 177.78 1pin h PHE 134 N 0.56 0.33 -0.23 0.65 3.04 -1.27 -1.91 116.94 118.11 1pin h PHE 134 Ca 0.13 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1pin h PHE 134 Cb 0.19 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1pin h PHE 134 CO 0.01 0.44 0.10 1.49 -2.02 0.00 0.00 178.31 178.33 1pin h GLU 135 N 0.13 0.33 -0.30 1.11 4.81 -0.75 -0.48 114.58 119.43 1pin h GLU 135 Ca 0.06 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1pin h GLU 135 Cb 0.27 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1pin h GLU 135 CO 0.00 0.36 0.03 -0.44 -0.73 0.00 0.00 179.01 178.23 1pin h ASP 136 N 0.23 -0.05 -0.12 1.04 3.32 -0.70 -0.80 116.42 119.35 1pin h ASP 136 Ca 0.08 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1pin h ASP 136 Cb 0.14 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1pin h ASP 136 CO -0.01 0.01 0.07 0.00 -1.72 0.00 0.00 179.24 177.59 1pin h ALA 137 N 1.24 0.15 -0.72 3.45 0.00 -1.19 -2.42 119.26 119.77 1pin h ALA 137 Ca 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1pin h ALA 137 Cb 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1pin h ALA 137 CO -0.21 -0.32 0.39 0.77 0.00 0.00 0.00 179.25 179.88 1pin h SER 138 N 0.11 0.56 1.04 0.00 0.02 -0.63 -1.69 113.55 112.96 1pin h SER 138 Ca 0.04 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1pin h SER 138 Cb 0.05 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1pin h SER 138 CO -0.01 0.34 0.00 0.49 -1.14 0.00 0.00 176.83 176.52 1pin n PHE 139 N -4.79 0.24 1.12 3.45 3.01 -0.35 -2.81 117.46 117.33 1pin n PHE 139 Ca 0.10 0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.76 1pin n PHE 139 Cb 0.22 -0.62 0.18 0.00 -0.01 0.00 0.00 39.48 39.25 1pin n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pin n ALA 140 N -1.57 3.31 -2.26 4.37 0.00 -0.67 -4.45 120.51 119.23 1pin n ALA 140 Ca 0.06 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 1pin n ALA 140 Cb 0.34 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 1pin n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pin s LEU 141 N -2.47 4.41 0.43 0.00 1.43 -1.02 -4.97 118.68 116.49 1pin s LEU 141 Ca 0.22 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1pin s LEU 141 Cb 0.19 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1pin s LEU 141 CO 0.54 0.15 0.64 -0.13 0.23 0.00 0.00 176.35 177.78 1pin s ARG 142 N -1.66 3.17 0.09 1.70 0.52 -1.26 -4.97 118.95 116.54 1pin s ARG 142 Ca 0.36 -0.45 -0.34 0.00 -0.52 0.00 0.00 55.73 54.78 1pin s ARG 142 Cb -0.17 -2.58 -0.13 0.00 0.52 0.00 0.00 34.95 32.59 1pin s ARG 142 CO 0.20 -0.17 1.68 2.41 0.02 0.00 0.00 175.30 179.44 1pin n THR 143 N -2.01 0.19 0.00 0.02 -1.04 -1.26 -1.28 114.28 108.90 1pin n THR 143 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1pin n THR 143 Cb 0.57 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1pin n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pin n GLY 144 N 3.75 1.89 3.81 3.41 0.00 0.14 -5.03 105.19 113.17 1pin n GLY 144 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1pin n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pin s GLU 145 N -0.63 3.81 -0.02 1.61 2.02 -0.40 -4.76 118.70 120.33 1pin s GLU 145 Ca 0.00 1.19 0.08 0.00 0.02 0.00 0.00 54.97 56.26 1pin s GLU 145 Cb 0.00 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1pin s GLU 145 CO 0.00 -0.40 -0.26 1.41 0.02 0.00 0.00 175.26 176.03 1pin s MET 146 N -3.59 2.15 0.94 1.61 -2.45 -1.26 -1.31 119.30 115.39 1pin s MET 146 Ca 0.64 -0.93 -0.14 0.00 -1.25 0.00 0.00 55.69 54.00 1pin s MET 146 Cb -0.13 -2.05 0.20 0.00 1.25 0.00 0.00 34.83 34.10 1pin s MET 146 CO 0.25 0.54 1.29 -1.54 1.05 0.00 0.00 175.02 176.61 1pin s SER 147 N -0.57 3.16 0.00 1.11 1.04 0.21 -4.81 113.70 113.85 1pin s SER 147 Ca 0.09 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1pin s SER 147 Cb -0.10 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1pin s SER 147 CO -0.01 -2.69 0.00 0.61 0.98 0.00 0.00 173.24 172.13 1pin n GLY 148 N -3.69 1.85 3.65 7.32 0.00 -0.12 -4.63 105.19 109.59 1pin n GLY 148 Ca 0.16 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1pin n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pin s PRO 149 N 3.31 4.14 -0.23 1.61 0.02 -1.26 -4.53 135.00 138.06 1pin s PRO 149 Ca 0.00 1.88 -0.05 0.00 0.02 0.00 0.00 61.00 62.85 1pin s PRO 149 Cb 0.00 -3.91 -0.02 0.00 0.02 0.00 0.00 34.50 30.60 1pin s PRO 149 CO 0.00 -0.87 -0.00 0.08 -0.33 0.00 0.00 177.00 175.88 1pin s VAL 150 N 4.01 3.71 -0.20 3.83 1.01 -0.17 -4.75 120.40 127.84 1pin s VAL 150 Ca 0.65 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1pin s VAL 150 Cb -0.27 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1pin s VAL 150 CO 0.23 0.40 0.49 -0.36 0.00 0.00 0.00 175.10 175.86 1pin s PHE 151 N 1.49 3.38 0.29 5.22 0.40 -1.26 -0.33 117.98 127.17 1pin s PHE 151 Ca 0.06 0.74 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 1pin s PHE 151 Cb -0.15 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 40.74 1pin s PHE 151 CO -0.01 -0.07 0.14 0.25 0.70 0.00 0.00 175.22 176.23 1pin n THR 152 N 4.47 0.00 0.21 0.64 -2.24 -0.34 -4.75 114.28 112.26 1pin n THR 152 Ca -0.06 -1.82 0.06 0.00 -2.27 0.00 0.00 64.05 59.96 1pin n THR 152 Cb 0.51 0.73 0.45 0.00 -2.10 0.00 0.00 70.33 69.91 1pin n THR 152 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1pin h ASP 153 N 1.33 0.00 -0.04 3.42 3.32 -1.97 -2.90 116.42 119.58 1pin h ASP 153 Ca -0.22 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 1pin h ASP 153 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1pin h ASP 153 CO 0.35 0.31 -0.40 0.28 -1.72 0.00 0.00 179.24 178.05 1pin h SER 154 N 0.00 0.59 0.00 6.45 0.02 -1.96 -2.37 113.55 116.29 1pin h SER 154 Ca -0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1pin h SER 154 Cb 0.65 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1pin h SER 154 CO 0.04 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 1pin n GLY 155 N -0.03 -0.19 3.39 -3.77 0.00 -1.10 -4.62 105.19 98.88 1pin n GLY 155 Ca -0.02 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1pin n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pin s ILE 156 N -4.00 2.95 0.18 -0.61 1.01 -0.76 -1.20 121.20 118.78 1pin s ILE 156 Ca 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 60.04 1pin s ILE 156 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1pin s ILE 156 CO 0.00 0.55 -0.24 -1.00 0.00 0.00 0.00 174.94 174.25 1pin s HIS 157 N -0.02 2.26 -0.14 3.97 3.76 0.55 -0.91 115.29 124.77 1pin s HIS 157 Ca -0.04 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1pin s HIS 157 Cb -0.14 -1.13 -0.00 0.00 1.11 0.00 0.00 32.58 32.41 1pin s HIS 157 CO 0.04 0.47 -0.17 0.42 -0.85 0.00 0.00 174.74 174.65 1pin s ILE 158 N -1.64 2.58 -0.08 0.60 1.01 -0.17 -1.00 121.20 122.49 1pin s ILE 158 Ca 0.20 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1pin s ILE 158 Cb -0.08 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1pin s ILE 158 CO 0.09 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.77 1pin s ILE 159 N 0.60 2.84 -0.19 2.92 1.01 -1.26 -0.83 121.20 126.29 1pin s ILE 159 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1pin s ILE 159 Cb -0.16 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.20 1pin s ILE 159 CO 0.03 0.56 -0.18 -0.22 0.00 0.00 0.00 174.94 175.13 1pin s LEU 160 N -0.18 2.27 -0.33 2.97 2.96 0.18 -0.62 118.68 125.93 1pin s LEU 160 Ca -0.01 -0.74 -0.24 0.00 -0.22 0.00 0.00 54.13 52.92 1pin s LEU 160 Cb -0.13 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1pin s LEU 160 CO 0.03 -0.03 0.83 -0.60 -1.32 0.00 0.00 176.35 175.26 1pin s ARG 161 N 1.28 3.90 -0.05 1.98 3.52 -0.43 -0.80 118.95 128.35 1pin s ARG 161 Ca 0.03 0.55 0.20 0.00 -0.13 0.00 0.00 55.73 56.38 1pin s ARG 161 Cb -0.14 -3.76 -0.25 0.00 -1.56 0.00 0.00 34.95 29.23 1pin s ARG 161 CO -0.12 -0.78 0.45 0.25 -0.81 0.00 0.00 175.30 174.29 1pin n THR 162 N 5.70 0.66 -1.31 4.11 -2.24 0.12 0.26 114.28 121.57 1pin n THR 162 Ca 0.05 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1pin n THR 162 Cb 0.48 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1pin n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88