#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n s VAL 2 N 0.00 0.00 0.13 2.03 -7.23 -1.26 -5.13 120.40 108.94 1j5n s VAL 2 Ca 0.00 -0.25 -0.35 0.00 -1.81 0.00 0.00 61.98 59.57 1j5n s VAL 2 Cb 0.00 -1.26 -0.16 0.00 0.56 0.00 0.00 36.38 35.52 1j5n s VAL 2 CO 0.00 0.00 1.25 0.35 -0.31 0.00 0.00 175.10 176.39 1j5n n THR 3 N -0.40 0.48 0.09 5.32 -2.24 -1.26 -4.90 114.28 111.38 1j5n n THR 3 Ca -0.13 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1j5n n THR 3 Cb 0.63 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1j5n n THR 3 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1j5n h PRO 4 N 3.93 -0.46 0.00 -0.78 0.11 -2.04 -3.47 132.00 129.28 1j5n h PRO 4 Ca -0.45 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1j5n h PRO 4 Cb 1.34 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1j5n h PRO 4 CO 0.74 -0.31 0.00 0.54 -0.21 0.00 0.00 178.00 178.76 1j5n n ARG 5 N -4.23 0.00 -3.86 1.05 1.74 -1.26 -5.11 116.66 105.00 1j5n n ARG 5 Ca -0.06 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.75 1j5n n ARG 5 Cb 0.25 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.53 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1j5n s GLU 6 N -1.65 1.25 0.10 5.56 -1.05 -1.26 -5.12 118.70 116.52 1j5n s GLU 6 Ca 0.00 -0.48 -0.31 0.00 -0.15 0.00 0.00 54.97 54.03 1j5n s GLU 6 Cb 0.00 -1.98 -0.07 0.00 -0.44 0.00 0.00 34.13 31.64 1j5n s GLU 6 CO 0.00 -0.47 1.38 -1.25 0.95 0.00 0.00 175.26 175.87 1j5n s PRO 7 N 1.68 4.32 -0.85 -4.83 0.04 -1.26 -4.94 135.00 129.16 1j5n s PRO 7 Ca 0.00 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1j5n s PRO 7 Cb -0.16 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1j5n s PRO 7 CO -0.07 -0.45 1.61 0.15 0.04 0.00 0.00 177.00 178.28 1j5n s LYS 8 N 1.29 3.07 0.00 4.56 -0.14 -1.26 -4.78 119.74 122.48 1j5n s LYS 8 Ca 0.64 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1j5n s LYS 8 Cb -0.36 -4.83 0.00 0.00 -1.68 0.00 0.00 37.83 30.96 1j5n s LYS 8 CO 0.30 -2.58 0.00 1.17 -0.76 0.00 0.00 175.35 173.48 1j5n n LYS 9 N 9.05 0.00 -2.52 1.68 3.00 -1.26 -5.10 118.16 123.01 1j5n n LYS 9 Ca 0.25 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.22 1j5n n LYS 9 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.49 1j5n n LYS 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1j5n s ARG 10 N 0.00 3.85 -0.28 1.64 0.52 -1.26 -3.27 118.95 120.15 1j5n s ARG 10 Ca 0.00 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 1j5n s ARG 10 Cb 0.00 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1j5n s ARG 10 CO 0.00 -0.40 0.00 0.25 0.02 0.00 0.00 175.30 175.17 1j5n n THR 11 N -0.79 -0.11 -0.24 0.02 -2.24 -1.26 -4.71 114.28 104.96 1j5n n THR 11 Ca 0.08 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.03 1j5n n THR 11 Cb 0.52 -0.40 0.31 0.00 -2.10 0.00 0.00 70.33 68.65 1j5n n THR 11 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1j5n n THR 12 N -2.31 -0.30 -0.79 4.28 5.66 -1.20 -4.56 114.28 115.05 1j5n n THR 12 Ca -0.04 1.52 -0.25 0.00 -3.05 0.00 0.00 64.05 62.23 1j5n n THR 12 Cb 0.41 -2.32 0.00 0.00 -1.55 0.00 0.00 70.33 66.87 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5n n ARG 13 N -4.81 0.00 -3.15 1.09 1.85 -1.26 -4.98 116.66 105.40 1j5n n ARG 13 Ca 0.22 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.12 1j5n n ARG 13 Cb 0.72 -0.62 -0.01 0.00 -1.05 0.00 0.00 32.46 31.50 1j5n n ARG 13 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1j5n s LYS 14 N -0.62 0.26 -0.11 2.89 2.47 -1.26 -5.13 119.74 118.24 1j5n s LYS 14 Ca 0.36 0.42 -0.40 0.00 -1.56 0.00 0.00 55.97 54.79 1j5n s LYS 14 Cb -0.35 0.23 -0.18 0.00 -1.46 0.00 0.00 37.83 36.07 1j5n s LYS 14 CO 0.40 -0.33 1.42 1.63 0.16 0.00 0.00 175.35 178.63 1j5n n LYS 15 N 5.41 0.74 -2.79 4.03 4.01 -1.26 -4.91 118.16 123.39 1j5n n LYS 15 Ca -0.03 0.27 -0.02 0.00 -0.51 0.00 0.00 58.31 58.02 1j5n n LYS 15 Cb 0.54 -1.87 0.02 0.00 -0.51 0.00 0.00 35.03 33.20 1j5n n LYS 15 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1j5n s LYS 16 N 1.50 0.63 0.00 1.97 0.00 -1.26 -5.14 119.74 117.44 1j5n s LYS 16 Ca 0.92 -0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.35 1j5n s LYS 16 Cb -1.13 -0.01 0.00 0.00 0.00 0.00 0.00 37.83 36.69 1j5n s LYS 16 CO 0.59 -0.81 0.00 -0.40 0.00 0.00 0.00 175.35 174.73 1j5n n ASP 17 N 3.10 0.00 0.33 0.03 5.68 -1.26 -4.95 116.55 119.48 1j5n n ASP 17 Ca 0.13 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.29 1j5n n ASP 17 Cb 0.60 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1j5n h PRO 18 N 0.00 -0.81 0.00 0.11 0.13 -1.99 -3.18 132.00 126.26 1j5n h PRO 18 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1j5n h PRO 18 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1j5n h PRO 18 CO 0.00 -0.54 -0.33 0.09 -0.23 0.00 0.00 178.00 176.99 1j5n n ASN 19 N -4.30 0.64 -2.47 1.44 3.02 -1.26 -5.01 115.26 107.32 1j5n n ASN 19 Ca -0.10 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1j5n n ASN 19 Cb 0.33 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 20 N -1.74 -1.58 -0.11 5.41 0.00 -1.20 -4.86 120.51 116.43 1j5n n ALA 20 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1j5n n ALA 20 Cb 0.41 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j5n h PRO 21 N 3.26 0.63 -3.33 0.00 0.11 -1.93 -3.49 132.00 127.25 1j5n h PRO 21 Ca 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1j5n h PRO 21 Cb 0.58 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 21 CO 0.00 0.81 -0.07 1.63 -0.21 0.00 0.00 178.00 180.16 1j5n n LYS 22 N -4.44 -0.33 0.00 1.05 5.02 -1.26 -4.80 118.16 113.39 1j5n n LYS 22 Ca -0.02 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1j5n n LYS 22 Cb 0.33 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1j5n n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j5n n ARG 23 N -0.53 0.00 -0.84 1.97 1.85 -1.26 -4.84 116.66 113.00 1j5n n ARG 23 Ca 0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.57 1j5n n ARG 23 Cb 0.11 0.00 0.24 0.00 -1.05 0.00 0.00 32.46 31.75 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n s ALA 24 N 0.00 0.14 1.00 2.89 0.00 -1.26 -5.04 121.76 119.49 1j5n s ALA 24 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1j5n s ALA 24 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1j5n s ALA 24 CO 0.00 -3.66 0.00 1.28 0.00 0.00 0.00 175.76 173.38 1j5n n LEU 25 N -4.81 0.00 -4.23 0.00 4.32 -1.26 -4.99 117.00 106.03 1j5n n LEU 25 Ca 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.93 1j5n n LEU 25 Cb 0.58 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.28 1j5n n LEU 25 CO 0.51 -0.67 -0.41 -0.55 -1.22 0.00 0.00 177.39 175.06 1j5n s SER 26 N -1.66 1.64 0.54 -1.43 0.15 -1.26 -4.84 113.70 106.85 1j5n s SER 26 Ca 0.00 -0.99 0.23 0.00 0.70 0.00 0.00 55.95 55.89 1j5n s SER 26 Cb 0.00 0.01 1.50 0.00 -1.71 0.00 0.00 66.02 65.82 1j5n s SER 26 CO 0.00 -0.34 2.18 0.00 1.20 0.00 0.00 173.24 176.27 1j5n h ALA 27 N 2.91 1.72 0.00 5.45 0.00 -1.89 -0.02 119.26 127.42 1j5n h ALA 27 Ca -0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1j5n h ALA 27 Cb 1.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1j5n h ALA 27 CO 0.62 0.03 -0.09 -0.92 0.00 0.00 0.00 179.25 178.89 1j5n h TYR 28 N 0.00 0.00 0.09 0.00 5.03 -1.95 -2.34 116.97 117.80 1j5n h TYR 28 Ca -0.00 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 1j5n h TYR 28 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1j5n h TYR 28 CO 0.00 0.09 -1.00 0.52 -1.32 0.00 0.00 178.16 176.45 1j5n h MET 29 N 0.00 0.20 -0.30 1.82 0.00 -1.41 -0.30 114.93 114.93 1j5n h MET 29 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 59.70 59.34 1j5n h MET 29 Cb 0.82 0.13 -0.01 0.00 0.00 0.00 0.00 31.60 32.53 1j5n h MET 29 CO 0.01 1.16 0.12 0.74 0.00 0.00 0.00 176.91 178.94 1j5n h PHE 30 N -0.51 0.47 0.09 -0.22 0.04 -1.50 0.39 116.94 115.70 1j5n h PHE 30 Ca -0.21 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 1j5n h PHE 30 Cb 1.56 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1j5n h PHE 30 CO 0.17 0.46 -0.05 0.35 -0.60 0.00 0.00 178.31 178.64 1j5n h PHE 31 N 0.34 -0.12 -0.07 -0.55 3.57 -1.57 -2.19 116.94 116.35 1j5n h PHE 31 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1j5n h PHE 31 Cb 0.19 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1j5n h PHE 31 CO -0.00 0.18 0.18 0.00 -2.23 0.00 0.00 178.31 176.43 1j5n h ALA 32 N 0.46 1.43 -0.04 2.41 0.00 -0.92 -0.11 119.26 122.48 1j5n h ALA 32 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1j5n h ALA 32 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j5n h ALA 32 CO 0.02 -0.22 -0.07 -0.91 0.00 0.00 0.00 179.25 178.08 1j5n h ASN 33 N 0.00 0.12 -0.49 0.00 2.35 0.39 0.24 115.58 118.20 1j5n h ASN 33 Ca 0.04 -0.55 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1j5n h ASN 33 Cb 0.39 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1j5n h ASN 33 CO -0.00 0.65 0.22 -0.33 -1.65 0.00 0.00 177.43 176.32 1j5n h GLU 34 N -0.40 0.71 0.00 0.81 4.39 -0.67 -3.32 114.58 116.10 1j5n h GLU 34 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1j5n h GLU 34 Cb 0.63 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1j5n h GLU 34 CO 0.01 0.61 0.00 0.09 -1.16 0.00 0.00 179.01 178.57 1j5n n ASN 35 N -4.60 0.00 0.00 1.42 5.03 -0.30 -2.29 115.26 114.52 1j5n n ASN 35 Ca 0.02 0.77 0.00 0.00 0.87 0.00 0.00 54.58 56.23 1j5n n ASN 35 Cb 0.13 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1j5n n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1j5n n ARG 36 N -1.60 0.00 0.15 3.52 0.63 0.07 0.42 116.66 119.85 1j5n n ARG 36 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1j5n n ARG 36 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.35 0.00 6.15 3.32 -1.67 -1.91 116.42 121.97 1j5n h ASP 37 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1j5n h ASP 37 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1j5n h ASP 37 CO 0.00 0.02 0.00 -0.38 -1.72 0.00 0.00 179.24 177.16 1j5n n ILE 38 N -5.13 0.00 -0.26 0.35 -0.00 1.43 0.32 119.36 116.06 1j5n n ILE 38 Ca -0.09 1.49 -0.08 0.00 -0.00 0.00 0.00 62.75 64.06 1j5n n ILE 38 Cb 0.26 -2.46 -0.07 0.00 -0.00 0.00 0.00 39.64 37.38 1j5n n ILE 38 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1j5n h VAL 39 N 0.00 0.00 0.00 1.39 2.07 -0.18 0.52 116.25 120.04 1j5n h VAL 39 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j5n h VAL 39 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1j5n h VAL 39 CO 0.00 0.00 -0.07 -0.09 0.02 0.00 0.00 177.57 177.43 1j5n h ARG 40 N -0.05 0.00 0.00 1.57 2.43 -1.41 -0.63 114.38 116.30 1j5n h ARG 40 Ca 0.10 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1j5n h ARG 40 Cb 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1j5n h ARG 40 CO -0.62 0.07 -0.30 0.77 -1.51 0.00 0.00 179.97 178.38 1j5n h SER 41 N 0.00 0.00 0.36 -3.80 0.02 0.47 0.32 113.55 110.91 1j5n h SER 41 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j5n h SER 41 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1j5n h SER 41 CO 0.01 0.30 -1.40 -0.62 -1.14 0.00 0.00 176.83 173.98 1j5n n GLU 42 N -3.77 0.48 -3.16 3.45 1.02 -0.34 -4.51 120.64 113.81 1j5n n GLU 42 Ca -0.01 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 56.88 1j5n n GLU 42 Cb 0.40 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1j5n n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j5n n ASN 43 N -2.20 1.24 0.00 1.62 3.02 -0.38 -4.92 115.26 113.63 1j5n n ASN 43 Ca -0.01 -3.08 0.01 0.00 -0.03 0.00 0.00 54.58 51.47 1j5n n ASN 43 Cb 0.51 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1j5n n ASN 43 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1j5n n PRO 44 N 0.26 0.00 -0.06 3.52 -0.02 0.11 -2.80 135.00 136.00 1j5n n PRO 44 Ca 0.26 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1j5n n PRO 44 Cb 0.62 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 1j5n n PRO 44 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j5n h ASP 45 N 0.00 0.00 -1.56 2.55 5.19 -1.91 -3.48 116.42 117.21 1j5n h ASP 45 Ca 0.00 -0.08 -0.46 0.00 -0.62 0.00 0.00 57.03 55.87 1j5n h ASP 45 Cb 0.03 0.00 0.14 0.00 0.18 0.00 0.00 39.33 39.68 1j5n h ASP 45 CO 0.00 0.63 -0.93 2.30 -3.12 0.00 0.00 179.24 178.13 1j5n n ILE 46 N -4.71 0.00 -3.65 0.35 -5.35 -1.12 -4.97 119.36 99.90 1j5n n ILE 46 Ca -0.04 -0.39 -0.23 0.00 -0.27 0.00 0.00 62.75 61.83 1j5n n ILE 46 Cb 0.13 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.01 1j5n n ILE 46 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1j5n s THR 47 N -1.56 2.21 0.22 7.28 2.01 -1.26 -4.70 115.64 119.84 1j5n s THR 47 Ca 0.44 -1.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1j5n s THR 47 Cb -0.37 -2.59 0.34 0.00 0.01 0.00 0.00 72.50 69.89 1j5n s THR 47 CO 0.52 0.00 1.20 0.33 -0.69 0.00 0.00 174.62 175.98 1j5n n PHE 48 N -1.69 0.36 -0.55 4.92 7.35 -1.26 0.14 117.46 126.72 1j5n n PHE 48 Ca 0.03 0.93 -0.05 0.00 -0.76 0.00 0.00 57.45 57.60 1j5n n PHE 48 Cb 0.63 -0.99 0.01 0.00 0.35 0.00 0.00 39.48 39.48 1j5n n PHE 48 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1j5n n GLY 49 N -1.44 2.97 1.81 7.13 0.00 -1.26 -1.44 105.19 112.95 1j5n n GLY 49 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1j5n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5n n GLN 50 N 1.09 0.00 0.10 1.61 6.02 0.37 -4.74 117.38 121.82 1j5n n GLN 50 Ca 0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1j5n n GLN 50 Cb 0.53 -0.01 -0.12 0.00 1.02 0.00 0.00 30.24 31.66 1j5n n GLN 50 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1j5n h VAL 51 N 0.00 1.40 -0.02 5.09 3.04 -1.27 -0.49 116.25 124.00 1j5n h VAL 51 Ca 0.00 -2.73 -0.05 0.00 -1.01 0.00 0.00 66.70 62.91 1j5n h VAL 51 Cb 0.00 2.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1j5n h VAL 51 CO 0.00 0.81 -0.17 1.23 -1.01 0.00 0.00 177.57 178.43 1j5n h GLY 52 N 1.01 0.16 1.04 3.17 0.00 -1.42 -0.01 103.07 107.04 1j5n h GLY 52 Ca -0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1j5n h GLY 52 CO 0.21 0.23 -0.03 0.50 0.00 0.00 0.00 176.54 177.45 1j5n h LYS 53 N -0.49 0.94 0.00 4.80 1.57 -1.68 -2.23 116.57 119.49 1j5n h LYS 53 Ca -0.02 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1j5n h LYS 53 Cb 0.88 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1j5n h LYS 53 CO 0.03 0.98 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.39 1j5n h LYS 54 N 0.81 0.00 0.25 3.15 1.63 -1.16 -2.54 116.57 118.72 1j5n h LYS 54 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1j5n h LYS 54 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1j5n h LYS 54 CO 0.03 0.28 -0.12 1.25 -3.45 0.00 0.00 179.45 177.44 1j5n h LEU 55 N 0.00 -0.29 0.44 5.20 6.46 -0.40 -1.01 115.31 125.70 1j5n h LEU 55 Ca -0.00 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1j5n h LEU 55 Cb 0.61 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1j5n h LEU 55 CO 0.04 -0.01 -0.21 1.23 -0.62 0.00 0.00 178.44 178.86 1j5n h GLY 56 N -0.57 -0.62 0.20 3.75 0.00 -1.34 0.47 103.07 104.96 1j5n h GLY 56 Ca -0.03 0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1j5n h GLY 56 CO 0.06 -0.23 0.05 1.05 0.00 0.00 0.00 176.54 177.47 1j5n h GLU 57 N -0.60 0.16 0.00 4.80 4.11 -1.52 0.22 114.58 121.76 1j5n h GLU 57 Ca -0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 1j5n h GLU 57 Cb 0.46 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1j5n h GLU 57 CO 0.10 0.11 -0.18 0.87 0.07 0.00 0.00 179.01 179.97 1j5n h LYS 58 N 0.17 0.00 0.58 1.06 1.79 -1.00 -0.50 116.57 118.66 1j5n h LYS 58 Ca 0.27 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.71 1j5n h LYS 58 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1j5n h LYS 58 CO -0.40 0.18 -0.31 2.35 -1.08 0.00 0.00 179.45 180.19 1j5n h TRP 59 N 0.00 -0.81 0.00 -1.35 -0.00 0.33 -2.08 115.95 112.04 1j5n h TRP 59 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1j5n h TRP 59 Cb 0.63 0.28 0.00 0.00 -0.00 0.00 0.00 29.16 30.07 1j5n h TRP 59 CO 0.00 -0.49 -0.07 1.63 -0.00 0.00 0.00 178.44 179.51 1j5n n LYS 60 N -5.46 0.24 -0.11 2.65 5.02 -0.97 -3.56 118.16 115.99 1j5n n LYS 60 Ca -0.13 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1j5n n LYS 60 Cb 0.35 -1.77 0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1j5n n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j5n h ALA 61 N 2.56 0.83 -2.17 7.82 0.00 -0.67 -3.34 119.26 124.28 1j5n h ALA 61 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j5n h ALA 61 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j5n h ALA 61 CO 0.00 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1j5n n LEU 62 N -4.11 0.00 0.00 0.00 4.77 -0.82 -5.03 117.00 111.81 1j5n n LEU 62 Ca 0.00 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1j5n n LEU 62 Cb 0.44 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1j5n n LEU 62 CO 0.45 -0.14 0.00 0.41 -1.33 0.00 0.00 177.39 176.78 1j5n n THR 63 N -1.09 0.00 -0.33 -5.08 -1.04 -1.26 -4.85 114.28 100.64 1j5n n THR 63 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1j5n n THR 63 Cb 0.00 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 68.88 1j5n n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 0.04 -0.26 -2.82 0.11 -1.93 0.59 132.00 127.73 1j5n h PRO 64 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1j5n h PRO 64 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1j5n h PRO 64 CO 0.00 0.03 0.15 1.49 -0.21 0.00 0.00 178.00 179.46 1j5n h GLU 65 N 0.04 0.30 -0.08 1.05 4.57 -2.00 -0.48 114.58 117.98 1j5n h GLU 65 Ca 0.66 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.84 1j5n h GLU 65 Cb 1.48 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1j5n h GLU 65 CO -0.84 0.20 0.08 0.93 -1.18 0.00 0.00 179.01 178.20 1j5n h GLU 66 N 0.31 0.00 0.00 1.92 4.39 -0.21 0.74 114.58 121.73 1j5n h GLU 66 Ca 0.10 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1j5n h GLU 66 Cb -0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1j5n h GLU 66 CO -0.05 0.00 -0.61 0.87 -1.16 0.00 0.00 179.01 178.06 1j5n h LYS 67 N 0.00 0.00 -0.51 2.33 1.57 0.20 -3.37 116.57 116.79 1j5n h LYS 67 Ca 0.04 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1j5n h LYS 67 Cb 0.20 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 1j5n h LYS 67 CO -0.00 0.57 -0.15 1.04 -0.57 0.00 0.00 179.45 180.34 1j5n n GLN 68 N -3.23 -0.07 0.18 3.15 6.02 0.25 0.53 117.38 124.21 1j5n n GLN 68 Ca 0.01 0.79 -0.15 0.00 -0.01 0.00 0.00 57.00 57.64 1j5n n GLN 68 Cb 0.77 -1.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.78 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j5n h PRO 69 N 0.00 -0.67 0.00 -1.09 0.11 -1.76 -0.12 132.00 128.47 1j5n h PRO 69 Ca 0.22 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1j5n h PRO 69 Cb 0.35 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1j5n h PRO 69 CO -0.52 -0.44 -0.05 1.88 -0.21 0.00 0.00 178.00 178.66 1j5n h TYR 70 N -0.69 0.00 -0.90 0.65 0.05 -0.44 -1.59 116.97 114.06 1j5n h TYR 70 Ca -0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.00 1j5n h TYR 70 Cb 0.66 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.24 1j5n h TYR 70 CO -0.26 0.05 0.01 1.49 -1.05 0.00 0.00 178.16 178.40 1j5n h GLU 71 N -1.00 0.06 -0.76 4.88 4.22 -0.05 3.08 114.58 125.01 1j5n h GLU 71 Ca -0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 1j5n h GLU 71 Cb 0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1j5n h GLU 71 CO -0.00 0.04 0.30 0.00 -2.18 0.00 0.00 179.01 177.17 1j5n h ALA 72 N 1.87 1.09 0.00 2.92 0.00 -1.10 0.39 119.26 124.43 1j5n h ALA 72 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1j5n h ALA 72 Cb 0.99 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j5n h ALA 72 CO -0.82 0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.71 1j5n n LYS 73 N -4.28 0.03 -0.01 0.00 4.76 0.92 -0.95 118.16 118.61 1j5n n LYS 73 Ca 0.07 0.31 -0.21 0.00 -2.87 0.00 0.00 58.31 55.61 1j5n n LYS 73 Cb 0.19 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.74 1j5n n LYS 73 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j5n h ALA 74 N 2.35 0.18 0.00 7.82 0.00 0.63 -1.90 119.26 128.33 1j5n h ALA 74 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 54.91 53.79 1j5n h ALA 74 Cb 0.14 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1j5n h ALA 74 CO 0.00 0.75 -0.28 -0.56 0.00 0.00 0.00 179.25 179.16 1j5n h GLN 75 N -0.45 0.00 -0.12 0.00 3.07 -0.95 0.42 115.11 117.07 1j5n h GLN 75 Ca -0.29 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.39 1j5n h GLN 75 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.20 1j5n h GLN 75 CO 0.02 0.28 -0.16 0.00 0.09 0.00 0.00 178.83 179.05 1j5n h ALA 76 N 1.72 0.19 0.00 0.06 0.00 -1.13 -2.25 119.26 117.84 1j5n h ALA 76 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1j5n h ALA 76 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1j5n h ALA 76 CO 0.04 0.09 -0.40 0.22 0.00 0.00 0.00 179.25 179.19 1j5n h ASP 77 N -0.07 0.00 -0.51 0.00 1.82 -1.12 -1.78 116.42 114.76 1j5n h ASP 77 Ca 0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1j5n h ASP 77 Cb 0.72 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1j5n h ASP 77 CO 0.04 0.40 0.29 0.50 -1.61 0.00 0.00 179.24 178.86 1j5n h LYS 78 N 0.00 0.70 -0.24 0.28 3.64 -0.02 -2.35 116.57 118.58 1j5n h LYS 78 Ca -0.00 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1j5n h LYS 78 Cb 0.95 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1j5n h LYS 78 CO 0.05 0.53 -0.22 0.87 -2.27 0.00 0.00 179.45 178.41 1j5n h LYS 79 N 0.68 0.56 -0.94 1.90 1.57 -1.26 0.89 116.57 119.97 1j5n h LYS 79 Ca 0.18 -0.29 0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1j5n h LYS 79 Cb 0.02 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.19 1j5n h LYS 79 CO -0.03 0.88 -0.37 -2.13 -0.57 0.00 0.00 179.45 177.23 1j5n n ARG 80 N -4.39 -0.22 0.13 3.15 3.00 -0.68 0.16 116.66 117.80 1j5n n ARG 80 Ca -0.05 1.45 0.02 0.00 -0.00 0.00 0.00 57.85 59.27 1j5n n ARG 80 Cb 0.42 -2.15 0.01 0.00 0.00 0.00 0.00 32.46 30.73 1j5n n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1j5n h TYR 81 N 0.00 0.00 0.00 -0.14 5.03 -1.41 -3.14 116.97 117.30 1j5n h TYR 81 Ca 0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1j5n h TYR 81 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.84 1j5n h TYR 81 CO -0.83 0.54 0.19 1.49 -1.32 0.00 0.00 178.16 178.23 1j5n h GLU 82 N 0.00 0.00 -0.01 1.82 4.81 0.41 0.51 114.58 122.12 1j5n h GLU 82 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1j5n h GLU 82 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1j5n h GLU 82 CO 0.07 0.00 -0.19 1.03 -0.73 0.00 0.00 179.01 179.19 1j5n h SER 83 N 0.00 0.19 1.01 1.04 0.87 -1.11 -1.18 113.55 114.37 1j5n h SER 83 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1j5n h SER 83 Cb 0.38 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1j5n h SER 83 CO 0.00 0.91 0.00 1.05 -0.53 0.00 0.00 176.83 178.26 1j5n h GLU 84 N -0.52 0.00 0.00 2.24 4.11 -1.13 -2.24 114.58 117.05 1j5n h GLU 84 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 1j5n h GLU 84 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1j5n h GLU 84 CO 0.04 0.00 -0.77 1.57 0.07 0.00 0.00 179.01 179.92 1j5n h LYS 85 N 0.00 0.00 -0.86 1.06 2.10 -1.28 0.48 116.57 118.07 1j5n h LYS 85 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.78 1j5n h LYS 85 Cb 0.51 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.77 1j5n h LYS 85 CO 0.00 0.92 0.56 1.05 -2.00 0.00 0.00 179.45 179.98 1j5n h GLU 86 N -1.00 0.68 0.21 0.07 4.11 -1.19 -0.93 114.58 116.53 1j5n h GLU 86 Ca -0.21 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 58.88 1j5n h GLU 86 Cb 1.13 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.25 1j5n h GLU 86 CO -0.13 0.45 -1.34 1.25 0.07 0.00 0.00 179.01 179.32 1j5n h LEU 87 N 0.70 0.70 -0.83 3.06 6.46 -1.53 -1.55 115.31 122.31 1j5n h LEU 87 Ca 0.42 -0.93 0.31 0.00 -0.12 0.00 0.00 57.88 57.57 1j5n h LEU 87 Cb 0.65 -0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 40.20 1j5n h LEU 87 CO -0.19 1.64 0.32 0.00 -0.62 0.00 0.00 178.44 179.59 1j5n n TYR 88 N -3.82 0.84 -0.03 1.25 9.36 0.16 0.20 117.16 125.11 1j5n n TYR 88 Ca -0.18 0.99 -0.10 0.00 3.32 0.00 0.00 57.90 61.93 1j5n n TYR 88 Cb 1.02 -1.32 -0.14 0.00 -0.63 0.00 0.00 39.34 38.27 1j5n n TYR 88 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1j5n n ASN 89 N -4.97 0.83 -0.09 2.98 0.23 -0.88 -1.66 115.26 111.70 1j5n n ASN 89 Ca 0.28 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.66 1j5n n ASN 89 Cb 0.94 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j5n n ALA 90 N -2.62 2.49 0.00 -2.53 0.00 0.54 -1.73 120.51 116.65 1j5n n ALA 90 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1j5n n ALA 90 Cb 1.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1j5n n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j5n n THR 91 N -0.41 0.00 0.07 0.00 5.66 0.25 -4.86 114.28 115.00 1j5n n THR 91 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1j5n n THR 91 Cb 0.04 -0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1j5n h LEU 92 N 0.00 0.04 0.00 1.09 8.10 -1.41 -3.51 115.31 119.62 1j5n h LEU 92 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1j5n h LEU 92 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1j5n h LEU 92 CO 0.00 0.98 0.00 0.00 -4.11 0.00 0.00 178.44 175.31