#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 0.16 0.06 1.12 -7.23 -1.26 -5.08 120.40 108.17 1j5n s VAL 2 Ca 0.00 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1j5n s VAL 2 Cb 0.00 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1j5n s VAL 2 CO 0.00 -0.72 0.00 0.35 -0.31 0.00 0.00 175.10 174.42 1j5n n THR 3 N 0.34 0.00 -1.19 5.32 -2.24 -1.26 -5.14 114.28 110.11 1j5n n THR 3 Ca -0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1j5n n THR 3 Cb 0.60 -0.02 0.15 0.00 -2.10 0.00 0.00 70.33 68.96 1j5n n THR 3 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1j5n s PRO 4 N -1.14 1.00 -0.46 -0.78 0.04 -1.26 -5.04 135.00 127.37 1j5n s PRO 4 Ca 0.00 0.74 0.06 0.00 0.04 0.00 0.00 61.00 61.84 1j5n s PRO 4 Cb 0.00 -1.79 0.32 0.00 0.04 0.00 0.00 34.50 33.07 1j5n s PRO 4 CO 0.00 -2.39 1.12 0.54 0.04 0.00 0.00 177.00 176.31 1j5n n ARG 5 N -3.98 0.97 -0.27 4.56 1.74 -1.26 -5.01 116.66 113.41 1j5n n ARG 5 Ca 0.06 -1.87 0.06 0.00 -0.77 0.00 0.00 57.85 55.33 1j5n n ARG 5 Cb 0.56 -1.01 0.16 0.00 -1.02 0.00 0.00 32.46 31.14 1j5n n ARG 5 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1j5n h GLU 6 N 3.01 0.06 -6.07 5.56 4.57 -2.04 -3.39 114.58 116.27 1j5n h GLU 6 Ca -0.11 -0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.40 1j5n h GLU 6 Cb 1.10 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1j5n h GLU 6 CO 0.13 0.04 1.27 -2.30 -1.18 0.00 0.00 179.01 176.98 1j5n n PRO 7 N -5.41 1.39 -0.13 0.92 -0.02 -1.26 -4.85 135.00 125.64 1j5n n PRO 7 Ca 0.14 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.79 1j5n n PRO 7 Cb 0.49 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 1j5n n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j5n n LYS 8 N 7.46 0.59 -1.02 -0.52 4.76 -1.26 -4.99 118.16 123.18 1j5n n LYS 8 Ca 0.34 0.33 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 1j5n n LYS 8 Cb 0.24 -1.56 0.24 0.00 -1.84 0.00 0.00 35.03 32.11 1j5n n LYS 8 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1j5n s LYS 9 N -2.48 -1.19 0.11 1.97 -0.14 -1.26 -5.09 119.74 111.66 1j5n s LYS 9 Ca -0.36 0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1j5n s LYS 9 Cb 0.12 -1.59 -0.01 0.00 -1.68 0.00 0.00 37.83 34.68 1j5n s LYS 9 CO 0.53 -3.71 0.06 2.89 -0.76 0.00 0.00 175.35 174.36 1j5n n ARG 10 N -4.78 0.51 -1.19 1.68 1.85 -1.26 -5.11 116.66 108.36 1j5n n ARG 10 Ca 0.12 -0.99 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 1j5n n ARG 10 Cb 0.59 0.66 0.00 0.00 -1.05 0.00 0.00 32.46 32.66 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1j5n n THR 11 N -0.23 -4.22 0.00 8.89 -1.04 -1.26 -5.03 114.28 111.40 1j5n n THR 11 Ca 0.00 1.79 0.00 0.00 -2.04 0.00 0.00 64.05 63.80 1j5n n THR 11 Cb 0.18 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.21 1j5n n THR 11 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1j5n n THR 12 N -0.84 0.00 -0.81 12.58 5.66 -1.26 -5.10 114.28 124.51 1j5n n THR 12 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1j5n n THR 12 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.00 0.00 0.00 1.09 1.85 -1.26 -4.88 116.66 113.46 1j5n n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5n n ARG 13 Cb 0.00 -0.94 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N 4.80 3.85 -4.54 2.89 4.81 -1.26 -5.15 118.16 123.56 1j5n n LYS 14 Ca 0.35 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.54 1j5n n LYS 14 Cb -0.02 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.90 1j5n n LYS 14 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j5n s LYS 15 N 2.35 1.36 0.00 1.64 2.20 -1.26 -5.08 119.74 120.94 1j5n s LYS 15 Ca 0.00 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.54 1j5n s LYS 15 Cb 0.00 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 1j5n s LYS 15 CO 0.00 0.39 0.00 0.36 -0.36 0.00 0.00 175.35 175.74 1j5n n LYS 16 N 1.51 0.00 0.00 4.03 2.85 -1.26 -5.18 118.16 120.10 1j5n n LYS 16 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1j5n n LYS 16 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1j5n n ASP 17 N 0.00 0.00 0.38 -5.58 8.00 -1.26 -4.89 116.55 113.19 1j5n n ASP 17 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1j5n n ASP 17 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j5n h PRO 18 N 0.00 -0.93 0.00 -0.24 0.13 -2.02 -3.35 132.00 125.59 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 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1j5n h PRO 18 CO 0.00 -0.60 -1.64 0.09 -0.23 0.00 0.00 178.00 175.63 1j5n n ASN 19 N -5.45 1.07 -2.28 1.44 3.02 -1.26 -5.06 115.26 106.74 1j5n n ASN 19 Ca -0.13 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.29 1j5n n ASN 19 Cb 0.40 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.24 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 -1.99 -1.66 -0.28 5.41 0.00 -1.26 -4.82 120.51 115.91 1j5n n ALA 20 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 1j5n n ALA 20 Cb 0.42 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.57 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 2.65 1.05 -1.65 0.00 0.11 -1.95 -3.48 132.00 128.74 1j5n h PRO 21 Ca -0.01 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1j5n h PRO 21 Cb 0.66 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1j5n h PRO 21 CO 0.00 0.77 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 1j5n n LYS 22 N -4.46 0.00 0.00 1.05 5.02 -1.26 -4.95 118.16 113.56 1j5n n LYS 22 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1j5n n LYS 22 Cb 0.08 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 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 -0.82 0.00 -4.51 1.97 1.85 -1.26 -4.85 116.66 109.04 1j5n n ARG 23 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1j5n n ARG 23 Cb 0.42 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.78 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 -0.68 4.37 1.00 2.89 0.00 -1.26 -4.73 121.76 123.35 1j5n s ALA 24 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1j5n s ALA 24 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1j5n s ALA 24 CO 0.00 -0.15 0.00 1.28 0.00 0.00 0.00 175.76 176.89 1j5n n LEU 25 N -1.48 0.00 -4.16 0.00 4.32 -1.26 -5.01 117.00 109.41 1j5n n LEU 25 Ca -0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.72 1j5n n LEU 25 Cb 0.66 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.36 1j5n n LEU 25 CO 0.37 -0.51 -0.39 -0.55 -1.22 0.00 0.00 177.39 175.09 1j5n s SER 26 N -1.47 1.18 0.59 -1.43 0.15 -1.26 -4.87 113.70 106.59 1j5n s SER 26 Ca 0.00 -0.90 0.32 0.00 0.70 0.00 0.00 55.95 56.07 1j5n s SER 26 Cb 0.00 0.07 1.85 0.00 -1.71 0.00 0.00 66.02 66.22 1j5n s SER 26 CO 0.00 -0.38 2.24 0.00 1.20 0.00 0.00 173.24 176.29 1j5n h ALA 27 N 3.29 1.38 0.00 5.45 0.00 -1.89 0.33 119.26 127.83 1j5n h ALA 27 Ca -0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1j5n h ALA 27 Cb 1.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1j5n h ALA 27 CO 0.59 0.03 -0.37 -0.92 0.00 0.00 0.00 179.25 178.58 1j5n h TYR 28 N 0.00 0.00 0.04 0.00 5.03 -1.95 -2.30 116.97 117.79 1j5n h TYR 28 Ca -0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1j5n h TYR 28 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.36 1j5n h TYR 28 CO 0.00 0.37 -0.35 0.52 -1.32 0.00 0.00 178.16 177.38 1j5n h MET 29 N 0.00 0.08 -0.31 1.82 0.00 -1.34 0.17 114.93 115.35 1j5n h MET 29 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 59.70 59.55 1j5n h MET 29 Cb 1.01 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 32.65 1j5n h MET 29 CO 0.05 1.07 0.17 0.74 0.00 0.00 0.00 176.91 178.94 1j5n h PHE 30 N -0.82 0.43 0.42 -0.22 0.04 -1.53 0.38 116.94 115.66 1j5n h PHE 30 Ca -0.07 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1j5n h PHE 30 Cb 1.21 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1j5n h PHE 30 CO 0.24 0.35 -0.20 0.35 -0.60 0.00 0.00 178.31 178.45 1j5n h PHE 31 N 0.39 -0.53 -0.51 -0.55 3.57 -1.55 -2.51 116.94 115.25 1j5n h PHE 31 Ca 0.11 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.74 1j5n h PHE 31 Cb 0.07 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1j5n h PHE 31 CO -0.03 -0.33 0.81 0.00 -2.23 0.00 0.00 178.31 176.53 1j5n h ALA 32 N -1.59 2.29 -0.07 2.41 0.00 -0.95 0.74 119.26 122.09 1j5n h ALA 32 Ca -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1j5n h ALA 32 Cb 0.44 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j5n h ALA 32 CO 0.10 -1.07 -0.09 -0.91 0.00 0.00 0.00 179.25 177.28 1j5n h ASN 33 N 0.00 0.19 -0.16 0.00 2.35 0.16 0.46 115.58 118.58 1j5n h ASN 33 Ca 0.24 -0.51 -0.15 0.00 -0.55 0.00 0.00 56.30 55.33 1j5n h ASN 33 Cb 1.85 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 1j5n h ASN 33 CO -0.00 0.67 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.70 1j5n h GLU 34 N -0.28 0.70 0.00 0.81 4.39 0.81 -2.78 114.58 118.24 1j5n h GLU 34 Ca 0.01 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1j5n h GLU 34 Cb 0.62 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1j5n h GLU 34 CO 0.02 0.99 -0.06 0.09 -1.16 0.00 0.00 179.01 178.89 1j5n n ASN 35 N -4.03 0.61 0.40 1.42 3.02 -0.08 -2.11 115.26 114.49 1j5n n ASN 35 Ca -0.02 0.51 -0.16 0.00 -0.03 0.00 0.00 54.58 54.88 1j5n n ASN 35 Cb 0.54 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 1j5n n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1j5n h ARG 36 N 0.00 -1.00 -0.30 3.52 2.43 0.23 0.39 114.38 119.65 1j5n h ARG 36 Ca 0.00 0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1j5n h ARG 36 Cb 0.68 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1j5n h ARG 36 CO 0.00 -0.67 -0.39 -0.44 -1.51 0.00 0.00 179.97 176.97 1j5n h ASP 37 N -1.25 0.85 0.08 -3.80 3.32 -1.65 -2.34 116.42 111.63 1j5n h ASP 37 Ca -0.11 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1j5n h ASP 37 Cb 0.80 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1j5n h ASP 37 CO 0.17 1.18 -0.04 0.40 -1.72 0.00 0.00 179.24 179.24 1j5n h ILE 38 N 0.55 0.00 -0.48 0.35 5.03 -1.48 0.41 117.51 121.89 1j5n h ILE 38 Ca 0.04 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 1j5n h ILE 38 Cb 0.98 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.68 1j5n h ILE 38 CO 0.09 0.00 -0.54 0.58 -0.68 0.00 0.00 178.15 177.61 1j5n h VAL 39 N -0.11 0.00 0.00 1.67 2.07 -0.33 0.32 116.25 119.87 1j5n h VAL 39 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1j5n h VAL 39 Cb 0.08 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1j5n h VAL 39 CO 0.02 0.00 -0.04 -0.09 0.02 0.00 0.00 177.57 177.48 1j5n h ARG 40 N -0.32 0.00 -0.02 1.57 2.43 -1.49 -0.42 114.38 116.13 1j5n h ARG 40 Ca 0.08 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1j5n h ARG 40 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1j5n h ARG 40 CO -0.62 0.04 -0.55 1.03 -1.51 0.00 0.00 179.97 178.35 1j5n h SER 41 N 0.00 0.06 0.38 -3.80 0.87 0.37 0.17 113.55 111.60 1j5n h SER 41 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1j5n h SER 41 Cb 0.20 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1j5n h SER 41 CO 0.00 0.60 -1.07 -0.62 -0.53 0.00 0.00 176.83 175.21 1j5n n GLU 42 N -3.89 0.29 -3.16 2.24 1.02 -0.48 -4.49 120.64 112.17 1j5n n GLU 42 Ca -0.01 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 1j5n n GLU 42 Cb 0.56 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.95 0.59 0.05 1.62 3.02 -0.28 -4.94 115.26 113.38 1j5n n ASN 43 Ca 0.02 -3.02 0.03 0.00 -0.03 0.00 0.00 54.58 51.57 1j5n n ASN 43 Cb 0.44 -0.47 0.17 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.37 0.04 -0.05 3.52 -0.02 0.57 -2.39 135.00 137.03 1j5n n PRO 44 Ca 0.24 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1j5n n PRO 44 Cb 0.65 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 1j5n n PRO 44 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j5n h ASP 45 N 0.00 -0.01 -1.50 2.55 3.58 -1.92 -3.46 116.42 115.65 1j5n h ASP 45 Ca 0.00 -0.43 -0.68 0.00 0.42 0.00 0.00 57.03 56.34 1j5n h ASP 45 Cb 0.05 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.19 1j5n h ASP 45 CO 0.00 0.70 -0.08 2.30 -2.88 0.00 0.00 179.24 179.28 1j5n n ILE 46 N -4.72 1.30 -0.78 2.25 -5.35 -1.01 -4.98 119.36 106.08 1j5n n ILE 46 Ca -0.04 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1j5n n ILE 46 Cb 0.21 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 1j5n n ILE 46 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1j5n n THR 47 N 0.76 0.00 -0.11 7.28 -1.04 -1.26 -4.68 114.28 115.22 1j5n n THR 47 Ca 0.16 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.14 1j5n n THR 47 Cb 0.23 -1.62 0.20 0.00 -1.82 0.00 0.00 70.33 67.31 1j5n n THR 47 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1j5n h PHE 48 N -0.02 0.81 0.00 -1.42 3.57 -1.98 -1.73 116.94 116.17 1j5n h PHE 48 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1j5n h PHE 48 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1j5n h PHE 48 CO 0.00 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.19 1j5n n GLY 49 N -0.82 -1.06 0.53 2.40 0.00 -1.26 -0.74 105.19 104.24 1j5n n GLY 49 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1j5n n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j5n n GLN 50 N -1.24 0.31 0.02 1.61 0.00 -1.04 -4.18 117.38 112.86 1j5n n GLN 50 Ca 0.13 0.13 -0.06 0.00 0.00 0.00 0.00 57.00 57.20 1j5n n GLN 50 Cb 0.18 -1.02 0.12 0.00 0.00 0.00 0.00 30.24 29.52 1j5n n GLN 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1j5n h VAL 51 N -0.54 1.31 0.14 -0.39 3.04 -1.43 -1.35 116.25 117.04 1j5n h VAL 51 Ca -0.24 -1.64 -0.01 0.00 -1.01 0.00 0.00 66.70 63.80 1j5n h VAL 51 Cb 1.04 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1j5n h VAL 51 CO -0.15 0.51 -0.07 1.23 -1.01 0.00 0.00 177.57 178.08 1j5n h GLY 52 N 1.13 -0.20 0.73 3.17 0.00 -1.11 0.33 103.07 107.12 1j5n h GLY 52 Ca 0.03 0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.55 1j5n h GLY 52 CO 0.08 -0.07 0.51 0.50 0.00 0.00 0.00 176.54 177.56 1j5n h LYS 53 N -0.39 0.56 0.00 4.80 1.57 -1.69 0.26 116.57 121.68 1j5n h LYS 53 Ca -0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1j5n h LYS 53 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1j5n h LYS 53 CO 0.03 0.37 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.53 1j5n h LYS 54 N 0.58 0.00 -0.51 3.15 1.63 -1.33 -2.53 116.57 117.57 1j5n h LYS 54 Ca 0.38 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1j5n h LYS 54 Cb 0.66 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 1j5n h LYS 54 CO -0.14 0.54 0.15 -0.07 -3.45 0.00 0.00 179.45 176.47 1j5n h LEU 55 N 0.00 0.75 0.56 5.20 3.38 0.18 -0.47 115.31 124.90 1j5n h LEU 55 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1j5n h LEU 55 Cb 0.98 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1j5n h LEU 55 CO 0.07 0.77 -0.27 1.23 0.09 0.00 0.00 178.44 180.33 1j5n h GLY 56 N 0.69 -0.78 0.02 0.83 0.00 -1.29 0.31 103.07 102.85 1j5n h GLY 56 Ca 0.16 0.29 0.17 0.00 0.00 0.00 0.00 47.33 47.95 1j5n h GLY 56 CO -0.00 -0.29 0.31 1.05 0.00 0.00 0.00 176.54 177.61 1j5n h GLU 57 N -1.15 0.40 -0.00 4.80 4.11 -1.51 0.37 114.58 121.60 1j5n h GLU 57 Ca -0.08 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.21 1j5n h GLU 57 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1j5n h GLU 57 CO 0.13 0.27 -0.55 0.87 0.07 0.00 0.00 179.01 179.79 1j5n h LYS 58 N 0.42 0.01 -0.17 1.06 1.79 -1.09 0.04 116.57 118.62 1j5n h LYS 58 Ca 0.46 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.97 1j5n h LYS 58 Cb 0.76 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.36 1j5n h LYS 58 CO -0.45 0.56 -0.12 2.35 -1.08 0.00 0.00 179.45 180.70 1j5n h TRP 59 N 0.01 -0.29 0.00 -1.35 -0.00 0.37 -1.83 115.95 112.86 1j5n h TRP 59 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1j5n h TRP 59 Cb 0.98 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 1j5n h TRP 59 CO 0.00 -0.18 -0.56 1.63 -0.00 0.00 0.00 178.44 179.33 1j5n n LYS 60 N -5.27 0.22 0.02 2.65 5.02 -0.95 -3.89 118.16 115.96 1j5n n LYS 60 Ca -0.02 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 1j5n n LYS 60 Cb 0.19 -1.65 0.18 0.00 -0.02 0.00 0.00 35.03 33.73 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 2.63 1.04 -2.01 7.82 0.00 -0.18 -3.34 119.26 125.21 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 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j5n h ALA 61 CO 0.00 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1j5n n LEU 62 N -4.08 0.00 0.00 0.00 4.77 -0.82 -5.04 117.00 111.82 1j5n n LEU 62 Ca -0.01 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1j5n n LEU 62 Cb 0.44 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1j5n n LEU 62 CO 0.43 -0.17 0.00 0.41 -1.33 0.00 0.00 177.39 176.73 1j5n n THR 63 N -1.04 0.00 -0.33 -5.08 -1.04 -1.26 -4.86 114.28 100.68 1j5n n THR 63 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1j5n n THR 63 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 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 -0.25 -2.82 0.11 -1.93 0.55 132.00 127.70 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 31.07 1j5n h PRO 64 CO 0.00 0.03 0.09 1.49 -0.21 0.00 0.00 178.00 179.40 1j5n h GLU 65 N 0.04 0.21 -0.09 1.05 4.57 -2.00 0.42 114.58 118.77 1j5n h GLU 65 Ca 0.61 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.80 1j5n h GLU 65 Cb 1.31 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1j5n h GLU 65 CO -0.85 0.14 0.11 0.93 -1.18 0.00 0.00 179.01 178.15 1j5n h GLU 66 N 0.21 0.00 0.00 1.92 4.39 -0.28 0.64 114.58 121.45 1j5n h GLU 66 Ca 0.11 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.64 1j5n h GLU 66 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1j5n h GLU 66 CO -0.11 0.00 -0.86 0.87 -1.16 0.00 0.00 179.01 177.75 1j5n h LYS 67 N 0.00 0.00 -0.56 2.33 1.57 0.30 -3.37 116.57 116.85 1j5n h LYS 67 Ca 0.04 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1j5n h LYS 67 Cb 0.26 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1j5n h LYS 67 CO -0.00 0.71 -0.15 1.04 -0.57 0.00 0.00 179.45 180.48 1j5n n GLN 68 N -3.25 -0.06 0.16 3.15 6.02 0.22 0.56 117.38 124.18 1j5n n GLN 68 Ca -0.01 0.87 -0.15 0.00 -0.01 0.00 0.00 57.00 57.70 1j5n n GLN 68 Cb 0.85 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.65 0.00 -1.09 0.11 -1.76 -0.34 132.00 128.27 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 0.40 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 69 CO -0.57 -0.44 -0.06 1.88 -0.21 0.00 0.00 178.00 178.60 1j5n h TYR 70 N -0.68 0.00 -0.96 0.65 0.05 -0.42 -1.79 116.97 113.82 1j5n h TYR 70 Ca 0.00 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.99 1j5n h TYR 70 Cb 0.66 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.22 1j5n h TYR 70 CO -0.29 0.00 -0.20 1.49 -1.05 0.00 0.00 178.16 178.11 1j5n h GLU 71 N -0.95 0.00 -0.75 4.88 4.81 -0.01 3.27 114.58 125.84 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 0.06 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1j5n h GLU 71 CO 0.00 0.00 0.45 0.00 -0.73 0.00 0.00 179.01 178.73 1j5n h ALA 72 N 1.96 0.95 0.00 2.92 0.00 -1.14 0.55 119.26 124.50 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 0.77 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j5n h ALA 72 CO -0.98 0.42 0.00 1.17 0.00 0.00 0.00 179.25 179.86 1j5n n LYS 73 N -4.50 0.14 0.01 0.00 4.81 0.97 -1.37 118.16 118.22 1j5n n LYS 73 Ca 0.07 0.61 -0.18 0.00 -0.87 0.00 0.00 58.31 57.94 1j5n n LYS 73 Cb 0.06 -1.93 -0.13 0.00 0.02 0.00 0.00 35.03 33.05 1j5n n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j5n h ALA 74 N 2.03 -0.01 -0.17 3.14 0.00 0.74 -1.39 119.26 123.60 1j5n h ALA 74 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1j5n h ALA 74 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j5n h ALA 74 CO 0.00 0.27 -0.03 1.96 0.00 0.00 0.00 179.25 181.45 1j5n h GLN 75 N -0.41 0.25 -0.08 0.00 4.20 -0.67 0.42 115.11 118.81 1j5n h GLN 75 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1j5n h GLN 75 Cb 1.35 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1j5n h GLN 75 CO 0.10 0.30 0.02 0.00 -0.67 0.00 0.00 178.83 178.58 1j5n h ALA 76 N 1.74 0.11 0.00 3.87 0.00 -1.19 -2.36 119.26 121.43 1j5n h ALA 76 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1j5n h ALA 76 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1j5n h ALA 76 CO 0.01 -0.26 -0.28 0.22 0.00 0.00 0.00 179.25 178.94 1j5n h ASP 77 N -0.08 0.00 -0.15 0.00 1.82 -0.70 -1.86 116.42 115.45 1j5n h ASP 77 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1j5n h ASP 77 Cb 0.26 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1j5n h ASP 77 CO 0.00 0.28 0.10 0.50 -1.61 0.00 0.00 179.24 178.51 1j5n h LYS 78 N 0.00 0.20 -0.44 0.28 3.64 0.18 -2.39 116.57 118.04 1j5n h LYS 78 Ca -0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1j5n h LYS 78 Cb 0.75 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1j5n h LYS 78 CO 0.04 0.13 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.89 1j5n h LYS 79 N 0.20 0.94 -0.97 1.90 3.64 -1.28 -1.25 116.57 119.75 1j5n h LYS 79 Ca 0.06 -0.42 0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1j5n h LYS 79 Cb -0.02 -0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 31.64 1j5n h LYS 79 CO -0.01 1.08 -0.48 -2.13 -2.27 0.00 0.00 179.45 175.63 1j5n n ARG 80 N -4.15 -0.34 0.07 1.90 3.00 -0.71 0.10 116.66 116.54 1j5n n ARG 80 Ca -0.01 1.48 -0.07 0.00 -0.00 0.00 0.00 57.85 59.25 1j5n n ARG 80 Cb 0.46 -2.18 0.09 0.00 0.00 0.00 0.00 32.46 30.83 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 0.40 -0.48 -0.14 5.03 -1.42 -2.90 116.97 117.45 1j5n h TYR 81 Ca 0.24 -0.16 0.14 0.00 2.58 0.00 0.00 58.73 61.53 1j5n h TYR 81 Cb 0.48 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1j5n h TYR 81 CO -0.93 0.86 0.73 1.49 -1.32 0.00 0.00 178.16 178.99 1j5n h GLU 82 N 0.22 0.00 -0.08 1.82 4.81 0.19 0.72 114.58 122.27 1j5n h GLU 82 Ca -0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1j5n h GLU 82 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j5n h GLU 82 CO 0.10 0.00 -0.31 0.77 -0.73 0.00 0.00 179.01 178.84 1j5n h SER 83 N 0.00 0.41 0.80 1.04 0.02 -0.96 -1.62 113.55 113.24 1j5n h SER 83 Ca 0.23 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1j5n h SER 83 Cb 1.69 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1j5n h SER 83 CO -0.00 0.97 0.00 -1.84 -1.14 0.00 0.00 176.83 174.82 1j5n n GLU 84 N -4.43 0.13 -0.03 3.45 0.28 0.24 -1.89 120.64 118.39 1j5n n GLU 84 Ca -0.08 0.29 -0.20 0.00 -0.16 0.00 0.00 57.16 57.01 1j5n n GLU 84 Cb 0.49 -1.71 -0.13 0.00 1.43 0.00 0.00 31.44 31.52 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 0.15 -0.55 3.44 2.10 -1.12 0.36 116.57 120.94 1j5n h LYS 85 Ca 0.00 -0.25 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1j5n h LYS 85 Cb 0.40 0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 1j5n h LYS 85 CO 0.00 1.12 0.33 1.05 -2.00 0.00 0.00 179.45 179.95 1j5n h GLU 86 N -0.57 0.74 0.20 0.07 4.11 -1.15 -2.19 114.58 115.78 1j5n h GLU 86 Ca -0.27 -0.06 -0.26 0.00 0.07 0.00 0.00 59.36 58.84 1j5n h GLU 86 Cb 1.54 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.66 1j5n h GLU 86 CO -0.02 0.52 -1.15 1.25 0.07 0.00 0.00 179.01 179.69 1j5n h LEU 87 N 0.75 0.65 -0.71 3.06 6.46 -1.50 -2.08 115.31 121.93 1j5n h LEU 87 Ca 0.20 -0.94 0.11 0.00 -0.12 0.00 0.00 57.88 57.13 1j5n h LEU 87 Cb -0.03 -0.21 -0.11 0.00 -0.73 0.00 0.00 40.66 39.58 1j5n h LEU 87 CO -0.04 1.55 -0.28 0.00 -0.62 0.00 0.00 178.44 179.05 1j5n n TYR 88 N -3.93 0.01 0.02 1.25 4.19 0.12 0.28 117.16 119.09 1j5n n TYR 88 Ca -0.16 0.88 -0.14 0.00 3.31 0.00 0.00 57.90 61.79 1j5n n TYR 88 Cb 0.96 -0.76 -0.03 0.00 0.49 0.00 0.00 39.34 40.00 1j5n n TYR 88 CO 0.00 0.00 0.00 -0.91 0.91 0.00 0.00 176.86 176.86 1j5n h ASN 89 N 0.00 0.72 0.00 2.98 2.35 -1.52 -1.43 115.58 118.68 1j5n h ASN 89 Ca 0.24 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1j5n h ASN 89 Cb 0.42 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1j5n h ASN 89 CO -0.71 1.26 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 1j5n n ALA 90 N -2.56 -0.14 -0.32 -0.83 0.00 0.78 -2.12 120.51 115.32 1j5n n ALA 90 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 1j5n n ALA 90 Cb 0.75 0.19 0.32 0.00 0.00 0.00 0.00 19.45 20.70 1j5n n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j5n h THR 91 N 0.00 0.85 -0.40 0.00 2.02 -0.53 -2.81 112.91 112.05 1j5n h THR 91 Ca 0.00 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.93 1j5n h THR 91 Cb 0.00 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.31 1j5n h THR 91 CO 0.00 0.15 -0.23 -0.11 0.37 0.00 0.00 175.52 175.70 1j5n n LEU 92 N -4.61 -0.42 0.00 2.58 -0.00 -0.54 -5.10 117.00 108.91 1j5n n LEU 92 Ca 0.19 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.34 1j5n n LEU 92 Cb 0.44 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1j5n n LEU 92 CO 0.27 -0.79 0.00 0.00 -0.00 0.00 0.00 177.39 176.87