#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n n VAL 2 N 0.00 -1.41 -3.54 1.12 0.24 -1.26 -4.88 118.33 108.61 1j5n n VAL 2 Ca 0.00 0.29 -0.41 0.00 -2.04 0.00 0.00 64.34 62.18 1j5n n VAL 2 Cb 0.00 -2.34 -0.06 0.00 -1.47 0.00 0.00 33.84 29.97 1j5n n VAL 2 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1j5n s THR 3 N -0.59 4.62 -0.78 3.34 2.01 -1.26 -5.03 115.64 117.95 1j5n s THR 3 Ca 0.00 -2.85 -0.25 0.00 0.31 0.00 0.00 61.69 58.90 1j5n s THR 3 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1j5n s THR 3 CO 0.00 -0.97 1.92 -2.16 -0.69 0.00 0.00 174.62 172.72 1j5n s PRO 4 N -0.11 2.58 -0.39 4.92 0.04 -1.26 -4.78 135.00 136.00 1j5n s PRO 4 Ca 0.19 0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.42 1j5n s PRO 4 Cb -0.15 -4.78 0.34 0.00 0.04 0.00 0.00 34.50 29.95 1j5n s PRO 4 CO -0.06 -3.12 0.81 0.54 0.04 0.00 0.00 177.00 175.21 1j5n n ARG 5 N 8.99 0.97 -4.23 4.56 1.74 -1.26 -5.12 116.66 122.33 1j5n n ARG 5 Ca 0.32 -3.08 -0.30 0.00 -0.77 0.00 0.00 57.85 54.03 1j5n n ARG 5 Cb 0.49 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1j5n s GLU 6 N -1.85 2.12 1.11 5.56 8.01 -1.26 -5.12 118.70 127.27 1j5n s GLU 6 Ca 0.36 -1.03 -0.17 0.00 0.01 0.00 0.00 54.97 54.14 1j5n s GLU 6 Cb 0.33 -2.30 0.16 0.00 -4.31 0.00 0.00 34.13 28.02 1j5n s GLU 6 CO -0.08 0.51 0.23 -2.30 0.01 0.00 0.00 175.26 173.63 1j5n n PRO 7 N 0.69 -2.26 -4.57 0.39 -0.02 -1.26 -5.05 135.00 122.92 1j5n n PRO 7 Ca -0.13 -0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 60.43 1j5n n PRO 7 Cb 0.52 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 32.27 1j5n n PRO 7 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j5n s LYS 8 N -3.63 1.88 -0.33 -0.52 1.02 -1.26 -5.13 119.74 111.77 1j5n s LYS 8 Ca 0.49 -2.07 -0.07 0.00 0.02 0.00 0.00 55.97 54.33 1j5n s LYS 8 Cb -0.09 -1.33 0.19 0.00 -0.52 0.00 0.00 37.83 36.08 1j5n s LYS 8 CO 0.51 -0.14 0.98 0.21 -0.92 0.00 0.00 175.35 176.00 1j5n s LYS 9 N -3.79 0.26 0.00 1.68 2.20 -1.26 -5.15 119.74 113.69 1j5n s LYS 9 Ca 0.32 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1j5n s LYS 9 Cb 0.09 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1j5n s LYS 9 CO 0.16 -0.39 0.00 0.54 -0.36 0.00 0.00 175.35 175.29 1j5n n ARG 10 N 4.05 0.00 0.00 4.03 1.74 -1.26 -4.96 116.66 120.26 1j5n n ARG 10 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1j5n n ARG 10 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 1j5n n ARG 10 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j5n n THR 11 N 0.00 0.00 -3.71 0.55 -2.24 -1.26 -5.05 114.28 102.57 1j5n n THR 11 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1j5n n THR 11 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j5n n THR 12 N 0.00 -4.43 -0.91 4.28 -2.24 -1.26 -4.71 114.28 105.00 1j5n n THR 12 Ca 0.00 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 1j5n n THR 12 Cb 0.00 -3.54 -0.02 0.00 -2.10 0.00 0.00 70.33 64.68 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1j5n n ARG 13 N -2.87 0.00 0.00 -0.78 0.00 -1.26 -4.94 116.66 106.81 1j5n n ARG 13 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.61 1j5n n ARG 13 Cb 0.65 -0.66 0.00 0.00 -0.00 0.00 0.00 32.46 32.44 1j5n n ARG 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1j5n n LYS 14 N 0.71 0.00 0.00 2.89 5.02 -1.26 -5.15 118.16 120.37 1j5n n LYS 14 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1j5n n LYS 14 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1j5n n LYS 14 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1j5n n LYS 15 N 0.00 0.00 -3.16 1.97 4.81 -1.26 -5.10 118.16 115.43 1j5n n LYS 15 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1j5n n LYS 15 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1j5n n LYS 15 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j5n n LYS 16 N 0.00 -1.86 0.00 1.64 4.81 -1.26 -5.01 118.16 116.47 1j5n n LYS 16 Ca 0.00 1.63 0.00 0.00 -0.87 0.00 0.00 58.31 59.07 1j5n n LYS 16 Cb 0.00 -4.64 0.00 0.00 0.02 0.00 0.00 35.03 30.41 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j5n n ASP 17 N -1.06 0.00 0.26 3.14 9.92 -1.26 -4.93 116.55 122.63 1j5n n ASP 17 Ca -0.01 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.14 1j5n n ASP 17 Cb 0.54 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.97 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j5n h PRO 18 N 0.00 -0.65 0.00 -0.24 0.13 -1.95 -3.27 132.00 126.02 1j5n h PRO 18 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1j5n h PRO 18 Cb 0.00 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1j5n h PRO 18 CO 0.00 -0.43 -0.69 -0.91 -0.23 0.00 0.00 178.00 175.74 1j5n h ASN 19 N -0.70 0.00 -5.04 1.44 2.35 -1.95 -3.50 115.58 108.18 1j5n h ASN 19 Ca -0.07 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1j5n h ASN 19 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1j5n h ASN 19 CO 0.11 0.10 -0.40 0.00 -1.65 0.00 0.00 177.43 175.59 1j5n n ALA 20 N -1.87 -1.40 -0.17 -0.83 0.00 -1.24 -4.85 120.51 110.16 1j5n n ALA 20 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1j5n n ALA 20 Cb 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 3.72 0.92 -3.01 0.00 0.11 -1.93 -3.49 132.00 128.32 1j5n h PRO 21 Ca 0.00 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1j5n h PRO 21 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1j5n h PRO 21 CO 0.00 0.99 -0.00 1.63 -0.21 0.00 0.00 178.00 180.40 1j5n n LYS 22 N -4.25 -0.01 -0.30 1.05 5.02 -1.26 -4.81 118.16 113.60 1j5n n LYS 22 Ca 0.01 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.70 1j5n n LYS 22 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.48 0.00 -0.62 1.97 1.85 -1.26 -4.86 116.66 113.26 1j5n n ARG 23 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1j5n n ARG 23 Cb 0.00 -0.25 0.27 0.00 -1.05 0.00 0.00 32.46 31.43 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 -0.49 -0.29 1.00 2.89 0.00 -1.26 -5.00 121.76 118.60 1j5n s ALA 24 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1j5n s ALA 24 Cb -0.11 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1j5n s ALA 24 CO 0.17 -4.18 0.00 1.28 0.00 0.00 0.00 175.76 173.02 1j5n n LEU 25 N -5.27 0.00 -4.35 0.00 4.32 -1.26 -5.00 117.00 105.44 1j5n n LEU 25 Ca 0.11 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.92 1j5n n LEU 25 Cb 0.59 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.29 1j5n n LEU 25 CO 0.46 -0.65 -0.42 -0.55 -1.22 0.00 0.00 177.39 175.01 1j5n s SER 26 N -1.27 2.50 0.64 -1.43 0.15 -1.26 -4.89 113.70 108.15 1j5n s SER 26 Ca 0.00 -1.05 0.42 0.00 0.70 0.00 0.00 55.95 56.02 1j5n s SER 26 Cb 0.00 -0.12 2.31 0.00 -1.71 0.00 0.00 66.02 66.50 1j5n s SER 26 CO 0.00 -0.22 2.30 0.00 1.20 0.00 0.00 173.24 176.52 1j5n h ALA 27 N 2.53 1.02 0.00 5.45 0.00 -1.87 0.84 119.26 127.23 1j5n h ALA 27 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1j5n h ALA 27 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j5n h ALA 27 CO 0.63 -0.02 -0.53 -0.92 0.00 0.00 0.00 179.25 178.41 1j5n h TYR 28 N 0.00 0.00 0.07 0.00 5.03 -1.95 -2.16 116.97 117.97 1j5n h TYR 28 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 1j5n h TYR 28 Cb 0.03 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.32 1j5n h TYR 28 CO 0.00 0.53 -0.51 0.52 -1.32 0.00 0.00 178.16 177.38 1j5n h MET 29 N 0.00 0.14 -0.34 1.82 0.00 -1.24 0.78 114.93 116.09 1j5n h MET 29 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 59.70 59.41 1j5n h MET 29 Cb 1.41 0.09 -0.01 0.00 0.00 0.00 0.00 31.60 33.09 1j5n h MET 29 CO 0.07 1.12 0.07 0.74 0.00 0.00 0.00 176.91 178.91 1j5n h PHE 30 N -0.69 0.59 -0.00 -0.22 0.04 -1.57 0.36 116.94 115.45 1j5n h PHE 30 Ca -0.10 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 1j5n h PHE 30 Cb 1.34 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 1j5n h PHE 30 CO 0.23 0.61 0.00 0.35 -0.60 0.00 0.00 178.31 178.89 1j5n h PHE 31 N 0.40 0.00 -0.02 -0.55 3.57 -1.52 -2.06 116.94 116.76 1j5n h PHE 31 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1j5n h PHE 31 Cb 0.33 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1j5n h PHE 31 CO 0.02 0.29 0.07 0.00 -2.23 0.00 0.00 178.31 176.45 1j5n h ALA 32 N 0.72 1.23 -0.05 2.41 0.00 -0.72 -0.26 119.26 122.59 1j5n h ALA 32 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1j5n h ALA 32 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j5n h ALA 32 CO 0.00 -0.08 -0.06 -0.91 0.00 0.00 0.00 179.25 178.20 1j5n h ASN 33 N 0.00 0.15 -0.51 0.00 2.35 0.42 0.17 115.58 118.15 1j5n h ASN 33 Ca 0.01 -0.50 -0.05 0.00 -0.55 0.00 0.00 56.30 55.21 1j5n h ASN 33 Cb 0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1j5n h ASN 33 CO -0.00 0.62 0.13 -0.33 -1.65 0.00 0.00 177.43 176.20 1j5n h GLU 34 N -0.32 0.82 0.00 0.81 4.39 -0.77 -3.33 114.58 116.17 1j5n h GLU 34 Ca 0.01 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1j5n h GLU 34 Cb 0.58 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1j5n h GLU 34 CO 0.01 0.78 0.00 0.09 -1.16 0.00 0.00 179.01 178.74 1j5n n ASN 35 N -4.45 0.00 0.00 1.42 5.03 -0.25 -2.29 115.26 114.72 1j5n n ASN 35 Ca 0.02 0.79 0.00 0.00 0.87 0.00 0.00 54.58 56.25 1j5n n ASN 35 Cb 0.22 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 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 -1.81 0.00 0.04 3.52 0.63 0.58 0.43 116.66 120.05 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 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1j5n n ARG 36 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 1j5n h ASP 37 N 0.00 -0.12 0.00 6.15 2.03 -1.68 -1.69 116.42 121.12 1j5n h ASP 37 Ca 0.00 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1j5n h ASP 37 Cb 0.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1j5n h ASP 37 CO 0.00 0.36 0.00 -0.38 -1.03 0.00 0.00 179.24 178.19 1j5n n ILE 38 N -4.93 0.00 -0.21 4.15 -0.00 1.44 0.33 119.36 120.14 1j5n n ILE 38 Ca -0.09 1.45 -0.13 0.00 -0.00 0.00 0.00 62.75 63.99 1j5n n ILE 38 Cb 0.26 -2.40 -0.10 0.00 -0.00 0.00 0.00 39.64 37.40 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 -0.21 0.43 116.25 119.93 1j5n h VAL 39 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 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 -0.03 -0.09 0.02 0.00 0.00 177.57 177.47 1j5n h ARG 40 N -0.28 0.00 0.00 1.57 2.43 -1.36 -0.13 114.38 116.61 1j5n h ARG 40 Ca 0.09 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1j5n h ARG 40 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1j5n h ARG 40 CO -0.67 0.03 -0.36 1.03 -1.51 0.00 0.00 179.97 178.49 1j5n h SER 41 N 0.00 0.00 0.75 -3.80 0.87 0.43 0.68 113.55 112.48 1j5n h SER 41 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1j5n h SER 41 Cb 0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1j5n h SER 41 CO 0.00 0.36 -1.32 -0.62 -0.53 0.00 0.00 176.83 174.72 1j5n n GLU 42 N -3.45 0.62 -3.08 2.24 1.02 -0.16 -4.44 120.64 113.39 1j5n n GLU 42 Ca 0.00 0.15 -0.19 0.00 -0.02 0.00 0.00 57.16 57.09 1j5n n GLU 42 Cb 0.52 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.76 1.76 0.22 1.62 3.02 -0.58 -4.93 115.26 113.61 1j5n n ASN 43 Ca -0.06 -3.15 0.06 0.00 -0.03 0.00 0.00 54.58 51.40 1j5n n ASN 43 Cb 0.72 -0.60 0.56 0.00 -0.61 0.00 0.00 39.78 39.85 1j5n n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1j5n h PRO 44 N 2.99 0.05 -1.04 3.52 0.11 -1.08 -1.86 132.00 134.69 1j5n h PRO 44 Ca 0.10 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.61 1j5n h PRO 44 Cb 0.88 -0.01 -0.28 0.00 0.11 0.00 0.00 31.00 31.70 1j5n h PRO 44 CO 0.58 0.11 0.76 -0.25 -0.21 0.00 0.00 178.00 178.99 1j5n n ASP 45 N -4.44 6.28 -0.14 -2.05 9.92 -1.26 -4.41 116.55 120.45 1j5n n ASP 45 Ca -0.02 -3.65 -0.27 0.00 -0.53 0.00 0.00 54.79 50.31 1j5n n ASP 45 Cb 0.15 -0.93 -0.10 0.00 -0.64 0.00 0.00 41.12 39.60 1j5n n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5n n ILE 46 N -0.88 1.52 0.00 0.53 3.06 -0.70 -5.13 119.36 117.76 1j5n n ILE 46 Ca 0.59 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 1j5n n ILE 46 Cb 0.98 -1.79 0.00 0.00 0.54 0.00 0.00 39.64 39.37 1j5n n ILE 46 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1j5n n THR 47 N -4.05 0.00 0.00 9.51 -1.04 -1.26 -4.60 114.28 112.84 1j5n n THR 47 Ca -0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1j5n n THR 47 Cb 0.91 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 1j5n n THR 47 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1j5n n PHE 48 N 1.98 0.00 -0.31 -1.42 7.35 -1.26 -0.53 117.46 123.27 1j5n n PHE 48 Ca 0.00 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.93 1j5n n PHE 48 Cb 0.00 0.00 0.37 0.00 0.35 0.00 0.00 39.48 40.20 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 -0.47 -0.45 0.11 7.13 0.00 -1.26 0.19 105.19 110.44 1j5n n GLY 49 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 1j5n n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1j5n h GLN 50 N 0.00 -0.15 -0.09 1.61 1.08 -1.07 -2.55 115.11 113.95 1j5n h GLN 50 Ca 0.44 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 1j5n h GLN 50 Cb 1.67 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1j5n h GLN 50 CO -0.06 0.24 0.00 -0.24 -0.95 0.00 0.00 178.83 177.82 1j5n h VAL 51 N -0.96 1.24 0.90 -0.54 3.04 0.33 -0.57 116.25 119.69 1j5n h VAL 51 Ca -0.02 -0.76 -0.04 0.00 -1.01 0.00 0.00 66.70 64.87 1j5n h VAL 51 Cb 0.45 1.57 0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1j5n h VAL 51 CO 0.03 0.21 -0.43 1.23 -1.01 0.00 0.00 177.57 177.59 1j5n h GLY 52 N -0.11 -1.27 0.92 3.17 0.00 -0.60 0.43 103.07 105.61 1j5n h GLY 52 Ca 0.03 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.85 1j5n h GLY 52 CO 0.00 -0.46 0.53 0.50 0.00 0.00 0.00 176.54 177.11 1j5n h LYS 53 N -1.24 1.01 0.00 4.80 1.57 -1.56 -0.02 116.57 121.14 1j5n h LYS 53 Ca -0.12 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1j5n h LYS 53 Cb 0.93 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1j5n h LYS 53 CO 0.20 0.67 -0.10 0.87 -0.57 0.00 0.00 179.45 180.52 1j5n h LYS 54 N 1.04 0.00 0.07 3.15 1.79 -1.06 -2.50 116.57 119.06 1j5n h LYS 54 Ca 0.31 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1j5n h LYS 54 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1j5n h LYS 54 CO -0.10 0.10 -0.03 1.25 -1.08 0.00 0.00 179.45 179.59 1j5n h LEU 55 N 0.00 -0.08 -0.11 2.94 6.46 0.18 -1.43 115.31 123.27 1j5n h LEU 55 Ca -0.00 -0.40 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 1j5n h LEU 55 Cb 0.50 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1j5n h LEU 55 CO 0.01 0.37 0.05 1.23 -0.62 0.00 0.00 178.44 179.48 1j5n h GLY 56 N -0.55 0.17 0.57 3.75 0.00 -1.31 0.43 103.07 106.13 1j5n h GLY 56 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1j5n h GLY 56 CO 0.02 0.09 -0.13 1.05 0.00 0.00 0.00 176.54 177.57 1j5n h GLU 57 N 0.03 -0.16 0.00 4.80 4.11 -1.53 -0.78 114.58 121.05 1j5n h GLU 57 Ca 0.04 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1j5n h GLU 57 Cb 0.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1j5n h GLU 57 CO -0.00 -0.11 -0.17 0.87 0.07 0.00 0.00 179.01 179.66 1j5n h LYS 58 N -0.17 0.00 0.52 1.06 1.57 -1.18 -0.24 116.57 118.13 1j5n h LYS 58 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1j5n h LYS 58 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1j5n h LYS 58 CO -0.19 0.17 -0.35 2.35 -0.57 0.00 0.00 179.45 180.87 1j5n h TRP 59 N 0.00 -0.92 0.00 -1.35 -0.00 0.14 -2.06 115.95 111.75 1j5n h TRP 59 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1j5n h TRP 59 Cb 0.54 0.34 0.00 0.00 -0.00 0.00 0.00 29.16 30.03 1j5n h TRP 59 CO 0.00 -0.52 -0.08 1.63 -0.00 0.00 0.00 178.44 179.47 1j5n n LYS 60 N -5.48 0.19 -0.10 2.65 5.02 -0.97 -3.56 118.16 115.92 1j5n n LYS 60 Ca -0.12 0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 1j5n n LYS 60 Cb 0.37 -1.71 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 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 2.66 0.90 -2.03 7.82 0.00 -0.50 -3.34 119.26 124.77 1j5n h ALA 61 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j5n h ALA 61 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j5n h ALA 61 CO 0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1j5n n LEU 62 N -4.13 0.00 0.00 0.00 4.77 -0.82 -5.04 117.00 111.78 1j5n n LEU 62 Ca 0.01 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1j5n n LEU 62 Cb 0.41 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1j5n n LEU 62 CO 0.44 -0.16 0.00 0.41 -1.33 0.00 0.00 177.39 176.75 1j5n n THR 63 N -1.09 0.00 -0.33 -5.08 -1.04 -1.26 -4.85 114.28 100.63 1j5n n THR 63 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 1j5n n THR 63 Cb 0.00 0.00 0.33 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.28 -2.82 0.11 -1.93 0.58 132.00 127.70 1j5n h PRO 64 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1j5n h PRO 64 Cb 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1j5n h PRO 64 CO 0.00 0.03 0.12 1.49 -0.21 0.00 0.00 178.00 179.43 1j5n h GLU 65 N 0.04 0.25 -0.07 1.05 4.57 -2.00 0.31 114.58 118.74 1j5n h GLU 65 Ca 0.62 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.81 1j5n h GLU 65 Cb 1.34 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1j5n h GLU 65 CO -0.85 0.17 0.08 0.93 -1.18 0.00 0.00 179.01 178.16 1j5n h GLU 66 N 0.26 0.00 0.00 1.92 4.39 -0.23 0.59 114.58 121.50 1j5n h GLU 66 Ca 0.12 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 1j5n h GLU 66 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1j5n h GLU 66 CO -0.10 0.00 -0.77 0.87 -1.16 0.00 0.00 179.01 177.85 1j5n h LYS 67 N 0.00 0.00 -0.57 2.33 1.57 0.30 -3.37 116.57 116.83 1j5n h LYS 67 Ca 0.03 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1j5n h LYS 67 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.40 1j5n h LYS 67 CO -0.00 0.64 -0.15 1.04 -0.57 0.00 0.00 179.45 180.41 1j5n n GLN 68 N -3.23 -0.06 0.13 3.15 6.02 0.20 0.51 117.38 124.10 1j5n n GLN 68 Ca -0.00 0.89 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 1j5n n GLN 68 Cb 0.82 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.57 0.00 -1.09 0.11 -1.76 -0.21 132.00 128.48 1j5n h PRO 69 Ca 0.26 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1j5n h PRO 69 Cb 0.41 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 69 CO -0.59 -0.38 -0.07 1.88 -0.21 0.00 0.00 178.00 178.64 1j5n h TYR 70 N -0.59 0.00 -0.99 0.65 0.05 -0.43 -1.76 116.97 113.90 1j5n h TYR 70 Ca 0.02 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.00 1j5n h TYR 70 Cb 0.61 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.16 1j5n h TYR 70 CO -0.29 0.00 -0.24 1.49 -1.05 0.00 0.00 178.16 178.07 1j5n h GLU 71 N -0.88 0.00 -0.75 4.88 4.81 -0.06 3.31 114.58 125.90 1j5n h GLU 71 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j5n h GLU 71 Cb 0.07 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1j5n h GLU 71 CO 0.00 0.00 0.44 0.00 -0.73 0.00 0.00 179.01 178.72 1j5n h ALA 72 N 1.99 0.95 0.00 2.92 0.00 -1.12 0.41 119.26 124.42 1j5n h ALA 72 Ca 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j5n h ALA 72 Cb 0.73 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1j5n h ALA 72 CO -1.02 0.43 0.01 -0.22 0.00 0.00 0.00 179.25 178.46 1j5n h LYS 73 N 1.02 0.00 -0.01 0.00 3.64 0.64 -0.82 116.57 121.03 1j5n h LYS 73 Ca 0.27 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1j5n h LYS 73 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1j5n h LYS 73 CO -0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 179.45 177.01 1j5n h ALA 74 N 1.97 0.03 -0.54 5.00 0.00 0.63 -1.72 119.26 124.63 1j5n h ALA 74 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1j5n h ALA 74 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1j5n h ALA 74 CO 0.00 -0.03 0.36 1.96 0.00 0.00 0.00 179.25 181.54 1j5n h GLN 75 N -0.55 0.64 -0.71 0.00 4.20 -0.72 0.41 115.11 118.37 1j5n h GLN 75 Ca -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1j5n h GLN 75 Cb 0.82 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1j5n h GLN 75 CO 0.02 0.42 0.43 0.00 -0.67 0.00 0.00 178.83 179.04 1j5n h ALA 76 N 1.68 0.90 0.00 3.87 0.00 -1.10 -1.24 119.26 123.37 1j5n h ALA 76 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1j5n h ALA 76 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j5n h ALA 76 CO -0.05 0.36 -0.22 0.22 0.00 0.00 0.00 179.25 179.56 1j5n h ASP 77 N 0.96 0.00 -0.30 0.00 1.82 -0.19 -2.77 116.42 115.95 1j5n h ASP 77 Ca 0.25 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1j5n h ASP 77 Cb -0.04 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1j5n h ASP 77 CO -0.05 0.22 0.18 0.50 -1.61 0.00 0.00 179.24 178.49 1j5n h LYS 78 N 0.00 0.40 -0.33 0.28 3.64 0.93 -2.45 116.57 119.04 1j5n h LYS 78 Ca -0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1j5n h LYS 78 Cb 0.99 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1j5n h LYS 78 CO 0.03 0.30 -0.13 1.57 -2.27 0.00 0.00 179.45 178.94 1j5n h LYS 79 N 0.38 0.68 -0.82 1.90 2.10 -1.42 0.11 116.57 119.50 1j5n h LYS 79 Ca 0.11 -0.28 0.07 0.00 -2.00 0.00 0.00 60.65 58.55 1j5n h LYS 79 Cb -0.00 -0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.20 1j5n h LYS 79 CO -0.02 0.87 -0.48 -2.13 -2.00 0.00 0.00 179.45 175.69 1j5n n ARG 80 N -4.38 -0.36 0.18 0.07 0.00 -0.99 0.84 116.66 112.02 1j5n n ARG 80 Ca -0.03 1.31 0.07 0.00 -0.00 0.00 0.00 57.85 59.20 1j5n n ARG 80 Cb 0.37 -1.94 0.13 0.00 0.00 0.00 0.00 32.46 31.03 1j5n n ARG 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 1j5n h TYR 81 N 0.00 0.00 -0.15 -0.14 -0.00 -1.46 -3.11 116.97 112.10 1j5n h TYR 81 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.91 1j5n h TYR 81 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.06 1j5n h TYR 81 CO -0.92 0.31 0.36 1.49 -0.00 0.00 0.00 178.16 179.40 1j5n h GLU 82 N 0.00 0.00 0.04 0.10 4.81 0.32 0.65 114.58 120.50 1j5n h GLU 82 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1j5n h GLU 82 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1j5n h GLU 82 CO 0.04 0.00 -0.02 1.03 -0.73 0.00 0.00 179.01 179.33 1j5n h SER 83 N 0.00 -0.05 0.58 1.04 0.87 -1.17 -1.18 113.55 113.65 1j5n h SER 83 Ca 0.07 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1j5n h SER 83 Cb 0.80 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1j5n h SER 83 CO -0.00 0.55 0.00 -1.84 -0.53 0.00 0.00 176.83 175.01 1j5n n GLU 84 N -4.83 0.07 -0.09 2.24 0.28 0.07 -2.06 120.64 116.33 1j5n n GLU 84 Ca -0.09 0.32 -0.15 0.00 -0.16 0.00 0.00 57.16 57.08 1j5n n GLU 84 Cb 0.30 -1.64 -0.09 0.00 1.43 0.00 0.00 31.44 31.43 1j5n n GLU 84 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1j5n h LYS 85 N 0.00 0.00 -0.82 3.44 2.10 -1.07 0.33 116.57 120.55 1j5n h LYS 85 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 1j5n h LYS 85 Cb 0.29 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.56 1j5n h LYS 85 CO 0.00 0.76 0.54 1.05 -2.00 0.00 0.00 179.45 179.80 1j5n h GLU 86 N -1.00 0.54 0.21 0.07 4.11 -1.08 -0.63 114.58 116.79 1j5n h GLU 86 Ca -0.18 -0.03 -0.31 0.00 0.07 0.00 0.00 59.36 58.91 1j5n h GLU 86 Cb 1.00 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.15 1j5n h GLU 86 CO -0.11 0.36 -1.45 1.25 0.07 0.00 0.00 179.01 179.13 1j5n h LEU 87 N 0.56 0.68 -0.85 3.06 6.46 -1.55 -1.40 115.31 122.27 1j5n h LEU 87 Ca 0.41 -0.92 0.32 0.00 -0.12 0.00 0.00 57.88 57.57 1j5n h LEU 87 Cb 0.78 -0.22 -0.15 0.00 -0.73 0.00 0.00 40.66 40.33 1j5n h LEU 87 CO -0.16 1.68 0.34 0.00 -0.62 0.00 0.00 178.44 179.67 1j5n n TYR 88 N -3.77 0.87 -0.04 1.25 9.36 0.11 0.20 117.16 125.13 1j5n n TYR 88 Ca -0.20 1.01 -0.08 0.00 3.32 0.00 0.00 57.90 61.95 1j5n n TYR 88 Cb 1.03 -1.34 -0.14 0.00 -0.63 0.00 0.00 39.34 38.26 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 -5.01 0.64 0.00 2.98 0.23 -0.86 -1.66 115.26 111.58 1j5n n ASN 89 Ca 0.29 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1j5n n ASN 89 Cb 0.97 0.23 0.01 0.00 -2.08 0.00 0.00 39.78 38.92 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 -2.60 2.43 0.00 -2.53 0.00 0.52 -1.74 120.51 116.59 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 19.51 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 -0.50 0.00 0.09 0.00 5.66 0.25 -4.85 114.28 114.92 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 0.00 -0.12 -0.01 0.00 -1.55 0.00 0.00 70.33 68.65 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 0.14 0.00 1.09 8.10 -1.41 -3.51 115.31 119.72 1j5n h LEU 92 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1j5n h LEU 92 Cb 0.01 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.18 1j5n h LEU 92 CO 0.00 0.94 0.00 0.00 -4.11 0.00 0.00 178.44 175.27