#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n h VAL 2 N 0.00 1.73 -3.23 2.03 3.04 -2.11 -3.45 116.25 114.26 1j5n h VAL 2 Ca 0.00 -2.23 -0.65 0.00 -1.01 0.00 0.00 66.70 62.81 1j5n h VAL 2 Cb 0.00 3.24 -0.16 0.00 -2.01 0.00 0.00 31.29 32.37 1j5n h VAL 2 CO 0.00 0.57 -0.59 -0.89 -1.01 0.00 0.00 177.57 175.65 1j5n s THR 3 N -2.37 4.55 -0.68 3.17 2.01 -1.26 -5.05 115.64 116.02 1j5n s THR 3 Ca -0.18 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.42 1j5n s THR 3 Cb -0.03 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1j5n s THR 3 CO 0.68 0.54 1.87 -2.16 -0.69 0.00 0.00 174.62 174.85 1j5n s PRO 4 N -0.25 2.62 0.00 4.92 0.04 -1.26 -4.90 135.00 136.18 1j5n s PRO 4 Ca 0.07 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1j5n s PRO 4 Cb -0.12 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1j5n s PRO 4 CO 0.02 -2.86 0.00 0.54 0.04 0.00 0.00 177.00 174.74 1j5n n ARG 5 N 9.12 1.83 -2.74 4.56 1.74 -1.26 -5.12 116.66 124.79 1j5n n ARG 5 Ca 0.24 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1j5n n ARG 5 Cb 0.51 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.04 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j5n n GLU 6 N 0.00 1.04 -2.07 5.56 2.13 -1.26 -5.07 120.64 120.98 1j5n n GLU 6 Ca 0.00 -1.99 -0.28 0.00 0.66 0.00 0.00 57.16 55.55 1j5n n GLU 6 Cb 0.00 -0.93 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 1j5n n GLU 6 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1j5n s PRO 7 N 0.12 2.49 0.00 5.31 0.04 -1.26 -4.77 135.00 136.94 1j5n s PRO 7 Ca 0.23 -1.16 -0.01 0.00 0.04 0.00 0.00 61.00 60.09 1j5n s PRO 7 Cb 0.31 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.61 1j5n s PRO 7 CO -0.06 -3.99 0.07 1.63 0.04 0.00 0.00 177.00 174.69 1j5n n LYS 8 N 8.28 0.02 0.00 4.56 5.02 -1.26 -5.15 118.16 129.63 1j5n n LYS 8 Ca 0.45 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1j5n n LYS 8 Cb 0.47 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j5n n LYS 9 N -0.05 0.00 0.00 1.97 4.76 -1.26 -4.82 118.16 118.76 1j5n n LYS 9 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1j5n n LYS 9 Cb 0.03 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 1j5n n LYS 9 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1j5n n ARG 10 N 0.00 -0.02 0.00 1.97 0.63 -1.26 -4.95 116.66 113.04 1j5n n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j5n n ARG 10 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1j5n n ARG 10 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1j5n n THR 11 N -1.84 0.00 -3.61 5.15 5.66 -1.26 -5.00 114.28 113.38 1j5n n THR 11 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1j5n n THR 11 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1j5n n THR 12 N 0.00 -5.86 -0.90 1.09 -2.24 -1.26 -4.53 114.28 100.59 1j5n n THR 12 Ca 0.00 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 1j5n n THR 12 Cb 0.00 -4.36 -0.09 0.00 -2.10 0.00 0.00 70.33 63.78 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 -3.33 0.00 -0.01 -0.78 0.00 -1.26 -4.88 116.66 106.40 1j5n n ARG 13 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1j5n n ARG 13 Cb 0.60 -0.96 0.00 0.00 -0.00 0.00 0.00 32.46 32.09 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1j5n n LYS 14 N 5.20 1.88 -4.35 2.89 4.81 -1.26 -5.13 118.16 122.20 1j5n n LYS 14 Ca 0.40 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.66 1j5n n LYS 14 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 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 1.28 1.39 0.00 1.64 2.47 -1.26 -5.13 119.74 120.14 1j5n s LYS 15 Ca 0.00 -1.72 0.00 0.00 -1.56 0.00 0.00 55.97 52.69 1j5n s LYS 15 Cb 0.00 -0.60 0.00 0.00 -1.46 0.00 0.00 37.83 35.77 1j5n s LYS 15 CO 0.00 -0.14 0.00 0.36 0.16 0.00 0.00 175.35 175.73 1j5n n LYS 16 N -0.46 0.00 0.00 4.03 2.85 -1.26 -5.19 118.16 118.13 1j5n n LYS 16 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1j5n n LYS 16 Cb 0.65 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.03 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 0.48 -5.58 9.92 -1.26 -4.87 116.55 115.24 1j5n n ASP 17 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1j5n n ASP 17 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 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 -1.21 0.00 -0.24 0.13 -1.99 -3.30 132.00 125.39 1j5n h PRO 18 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j5n h PRO 18 Cb 0.00 0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1j5n h PRO 18 CO 0.00 -0.81 -1.37 0.09 -0.23 0.00 0.00 178.00 175.68 1j5n n ASN 19 N -5.64 0.73 -2.46 1.44 3.02 -1.26 -5.05 115.26 106.04 1j5n n ASN 19 Ca -0.16 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1j5n n ASN 19 Cb 0.51 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 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 -1.80 -1.62 -0.21 5.41 0.00 -1.25 -4.84 120.51 116.21 1j5n n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1j5n n ALA 20 Cb 0.40 -0.37 0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 3.14 1.02 -3.20 0.00 0.11 -1.95 -3.48 132.00 127.64 1j5n h PRO 21 Ca 0.00 -0.23 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 1j5n h PRO 21 Cb 0.62 -0.14 0.06 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 21 CO 0.00 0.90 -0.26 1.63 -0.21 0.00 0.00 178.00 180.06 1j5n n LYS 22 N -4.24 -2.31 0.00 1.05 5.02 -1.26 -4.88 118.16 111.53 1j5n n LYS 22 Ca 0.05 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1j5n n LYS 22 Cb 0.25 -3.66 0.00 0.00 -0.02 0.00 0.00 35.03 31.60 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 -2.07 0.00 -4.52 1.97 1.85 -1.26 -4.87 116.66 107.76 1j5n n ARG 23 Ca -0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.51 1j5n n ARG 23 Cb 0.56 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.88 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 -0.61 2.90 1.00 2.89 0.00 -1.26 -4.75 121.76 121.93 1j5n s ALA 24 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1j5n s ALA 24 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1j5n s ALA 24 CO 0.00 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 176.72 1j5n n LEU 25 N -0.89 0.00 -3.97 0.00 4.32 -1.26 -5.03 117.00 110.17 1j5n n LEU 25 Ca -0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.84 1j5n n LEU 25 Cb 0.65 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.36 1j5n n LEU 25 CO 0.37 -0.59 -0.25 -0.55 -1.22 0.00 0.00 177.39 175.14 1j5n s SER 26 N -1.76 0.26 0.60 -1.43 0.15 -1.26 -4.89 113.70 105.36 1j5n s SER 26 Ca 0.00 -0.68 0.29 0.00 0.70 0.00 0.00 55.95 56.26 1j5n s SER 26 Cb 0.00 0.22 1.61 0.00 -1.71 0.00 0.00 66.02 66.15 1j5n s SER 26 CO 0.00 -0.55 2.03 0.00 1.20 0.00 0.00 173.24 175.92 1j5n h ALA 27 N 3.47 1.88 -0.00 5.45 0.00 -1.89 0.18 119.26 128.35 1j5n h ALA 27 Ca -0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1j5n h ALA 27 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1j5n h ALA 27 CO 0.55 -0.43 -0.85 -0.92 0.00 0.00 0.00 179.25 177.60 1j5n h TYR 28 N 0.00 0.25 -0.12 0.00 5.03 -1.95 -2.32 116.97 117.87 1j5n h TYR 28 Ca 0.12 -0.14 -0.12 0.00 2.58 0.00 0.00 58.73 61.17 1j5n h TYR 28 Cb 0.71 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.97 1j5n h TYR 28 CO 0.00 0.94 -0.38 0.52 -1.32 0.00 0.00 178.16 177.92 1j5n h MET 29 N 0.10 0.48 0.03 1.82 0.00 -1.05 0.32 114.93 116.63 1j5n h MET 29 Ca -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 59.70 59.31 1j5n h MET 29 Cb 1.48 0.06 0.00 0.00 0.00 0.00 0.00 31.60 33.14 1j5n h MET 29 CO 0.13 0.97 -0.02 0.74 0.00 0.00 0.00 176.91 178.73 1j5n h PHE 30 N 0.08 -0.04 0.04 -0.22 0.04 -1.53 -1.41 116.94 113.88 1j5n h PHE 30 Ca -0.01 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1j5n h PHE 30 Cb 1.01 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1j5n h PHE 30 CO 0.11 0.26 -0.02 0.35 -0.60 0.00 0.00 178.31 178.41 1j5n h PHE 31 N -0.35 -0.05 -0.95 -0.55 3.57 -1.49 -2.65 116.94 114.47 1j5n h PHE 31 Ca -0.00 -0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.86 1j5n h PHE 31 Cb 0.32 0.02 -0.14 0.00 2.79 0.00 0.00 35.95 38.94 1j5n h PHE 31 CO 0.03 -0.03 0.56 0.00 -2.23 0.00 0.00 178.31 176.64 1j5n n ALA 32 N -2.03 0.96 0.13 2.41 0.00 0.11 0.19 120.51 122.28 1j5n n ALA 32 Ca -0.01 0.79 -0.13 0.00 0.00 0.00 0.00 53.44 54.10 1j5n n ALA 32 Cb 0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 1j5n n ALA 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1j5n h ASN 33 N 0.00 -0.33 -0.33 0.00 2.35 -1.08 0.67 115.58 116.86 1j5n h ASN 33 Ca 0.71 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.47 1j5n h ASN 33 Cb 2.06 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 40.52 1j5n h ASN 33 CO -0.53 -0.20 0.13 -0.33 -1.65 0.00 0.00 177.43 174.84 1j5n h GLU 34 N -0.30 0.49 -0.00 0.81 4.39 0.24 -2.43 114.58 117.77 1j5n h GLU 34 Ca -0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1j5n h GLU 34 Cb 0.27 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1j5n h GLU 34 CO -0.01 0.49 -0.01 0.09 -1.16 0.00 0.00 179.01 178.41 1j5n n ASN 35 N -4.72 0.03 -0.01 1.42 3.02 -0.41 -2.22 115.26 112.38 1j5n n ASN 35 Ca -0.01 -0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 53.92 1j5n n ASN 35 Cb 0.14 -0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 1j5n n ASN 35 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1j5n h ARG 36 N 0.05 -0.09 -0.11 3.52 2.47 0.88 0.12 114.38 121.22 1j5n h ARG 36 Ca 0.00 0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.54 1j5n h ARG 36 Cb 0.18 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1j5n h ARG 36 CO 0.00 0.46 -0.72 -0.44 0.56 0.00 0.00 179.97 179.83 1j5n h ASP 37 N -0.88 0.60 0.00 7.04 5.19 -1.60 -2.05 116.42 124.71 1j5n h ASP 37 Ca -0.01 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1j5n h ASP 37 Cb 0.60 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1j5n h ASP 37 CO 0.02 1.13 0.00 -0.38 -3.12 0.00 0.00 179.24 176.89 1j5n n ILE 38 N -3.87 0.00 -0.19 0.35 -0.00 -0.94 -0.02 119.36 114.68 1j5n n ILE 38 Ca -0.05 1.17 -0.08 0.00 -0.00 0.00 0.00 62.75 63.80 1j5n n ILE 38 Cb 0.71 -2.15 -0.02 0.00 -0.00 0.00 0.00 39.64 38.17 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 0.12 0.00 1.39 2.07 -0.89 0.41 116.25 119.35 1j5n h VAL 39 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1j5n h VAL 39 Cb 0.00 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1j5n h VAL 39 CO 0.00 0.00 -0.13 -0.09 0.02 0.00 0.00 177.57 177.37 1j5n h ARG 40 N -0.23 0.00 0.00 1.57 2.43 -1.48 0.13 114.38 116.81 1j5n h ARG 40 Ca 0.19 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1j5n h ARG 40 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1j5n h ARG 40 CO -0.66 0.13 -0.19 1.03 -1.51 0.00 0.00 179.97 178.76 1j5n h SER 41 N 0.00 0.00 0.07 -3.80 0.87 0.35 0.94 113.55 111.99 1j5n h SER 41 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j5n h SER 41 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1j5n h SER 41 CO 0.02 0.19 -1.01 -0.62 -0.53 0.00 0.00 176.83 174.88 1j5n n GLU 42 N -4.00 0.05 -2.97 2.24 1.02 -0.31 -4.59 120.64 112.09 1j5n n GLU 42 Ca -0.02 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 1j5n n GLU 42 Cb 0.27 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.57 -0.79 0.00 1.62 3.02 0.30 -4.95 115.26 112.89 1j5n n ASN 43 Ca 0.04 -3.31 0.04 0.00 -0.03 0.00 0.00 54.58 51.31 1j5n n ASN 43 Cb 0.35 0.62 0.22 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.45 0.19 -0.12 3.52 -0.02 0.32 -2.94 135.00 136.40 1j5n n PRO 44 Ca 0.16 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1j5n n PRO 44 Cb 0.67 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.54 1j5n n PRO 44 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1j5n n ASP 45 N -1.14 1.91 -0.26 2.55 5.75 -1.26 -4.55 116.55 119.55 1j5n n ASP 45 Ca 0.05 0.38 -0.06 0.00 -0.01 0.00 0.00 54.79 55.16 1j5n n ASP 45 Cb 0.05 -0.89 -0.05 0.00 -1.03 0.00 0.00 41.12 39.20 1j5n n ASP 45 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1j5n n ILE 46 N -4.35 -0.41 0.00 2.12 -5.35 -1.15 -4.91 119.36 105.31 1j5n n ILE 46 Ca -0.43 1.49 0.00 0.00 -0.27 0.00 0.00 62.75 63.54 1j5n n ILE 46 Cb 0.78 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.81 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 -4.80 0.00 -0.42 7.28 -1.04 -1.26 -4.17 114.28 109.87 1j5n n THR 47 Ca 0.02 0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.36 1j5n n THR 47 Cb 0.18 0.00 0.51 0.00 -1.82 0.00 0.00 70.33 69.20 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 0.83 0.13 0.14 -1.42 7.35 -1.26 0.09 117.46 123.31 1j5n n PHE 48 Ca 0.00 0.13 -0.14 0.00 -0.76 0.00 0.00 57.45 56.69 1j5n n PHE 48 Cb 0.00 -0.47 -0.08 0.00 0.35 0.00 0.00 39.48 39.27 1j5n n PHE 48 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1j5n h GLY 49 N 0.00 -0.35 0.65 7.13 0.00 -1.98 0.29 103.07 108.81 1j5n h GLY 49 Ca 0.61 0.13 -0.26 0.00 0.00 0.00 0.00 47.33 47.80 1j5n h GLY 49 CO -0.09 -0.13 -1.30 1.46 0.00 0.00 0.00 176.54 176.49 1j5n h GLN 50 N -0.58 0.28 -0.10 4.80 1.08 -0.51 -2.94 115.11 117.14 1j5n h GLN 50 Ca -0.03 -0.48 -0.06 0.00 -1.45 0.00 0.00 58.65 56.63 1j5n h GLN 50 Cb 0.42 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1j5n h GLN 50 CO 0.06 1.23 -0.19 -0.24 -0.95 0.00 0.00 178.83 178.73 1j5n h VAL 51 N -0.27 1.19 0.11 -0.54 3.04 -1.15 0.44 116.25 119.06 1j5n h VAL 51 Ca -0.27 -0.87 -0.01 0.00 -1.01 0.00 0.00 66.70 64.55 1j5n h VAL 51 Cb 1.78 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 1j5n h VAL 51 CO 0.10 0.26 -0.05 1.23 -1.01 0.00 0.00 177.57 178.10 1j5n h GLY 52 N 0.79 -0.15 0.81 3.17 0.00 -0.52 -0.44 103.07 106.73 1j5n h GLY 52 Ca 0.03 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.57 1j5n h GLY 52 CO 0.03 -0.05 0.44 0.50 0.00 0.00 0.00 176.54 177.46 1j5n h LYS 53 N -0.45 0.17 -0.04 4.80 1.57 -1.59 0.31 116.57 121.35 1j5n h LYS 53 Ca -0.01 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1j5n h LYS 53 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1j5n h LYS 53 CO 0.02 0.11 -0.71 -0.22 -0.57 0.00 0.00 179.45 178.09 1j5n h LYS 54 N 0.18 0.20 -0.70 3.15 1.63 -0.99 -2.54 116.57 117.50 1j5n h LYS 54 Ca 0.31 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1j5n h LYS 54 Cb 0.96 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.59 1j5n h LYS 54 CO -0.05 0.82 0.24 -0.07 -3.45 0.00 0.00 179.45 176.94 1j5n h LEU 55 N 0.13 0.98 0.39 5.20 3.38 0.14 -0.06 115.31 125.47 1j5n h LEU 55 Ca -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1j5n h LEU 55 Cb 1.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1j5n h LEU 55 CO 0.11 0.90 -0.19 1.23 0.09 0.00 0.00 178.44 180.58 1j5n h GLY 56 N 1.08 -0.55 -0.02 0.83 0.00 -1.30 0.37 103.07 103.48 1j5n h GLY 56 Ca 0.23 0.20 0.18 0.00 0.00 0.00 0.00 47.33 47.95 1j5n h GLY 56 CO -0.01 -0.20 0.37 1.05 0.00 0.00 0.00 176.54 177.74 1j5n h GLU 57 N -0.92 0.44 -0.02 4.80 4.11 -1.50 0.41 114.58 121.89 1j5n h GLU 57 Ca -0.05 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.22 1j5n h GLU 57 Cb 0.41 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1j5n h GLU 57 CO 0.09 0.29 -0.58 0.87 0.07 0.00 0.00 179.01 179.75 1j5n h LYS 58 N 0.45 0.07 -0.28 1.06 1.79 -1.05 0.10 116.57 118.71 1j5n h LYS 58 Ca 0.50 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.97 1j5n h LYS 58 Cb 0.85 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.45 1j5n h LYS 58 CO -0.46 0.63 -0.07 2.35 -1.08 0.00 0.00 179.45 180.82 1j5n h TRP 59 N 0.06 -0.16 0.00 -1.35 -0.00 0.41 -1.93 115.95 112.98 1j5n h TRP 59 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1j5n h TRP 59 Cb 1.04 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1j5n h TRP 59 CO 0.01 -0.13 -0.71 1.63 -0.00 0.00 0.00 178.44 179.24 1j5n n LYS 60 N -5.25 0.19 0.07 2.65 5.02 -0.94 -3.98 118.16 115.92 1j5n n LYS 60 Ca -0.01 0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1j5n n LYS 60 Cb 0.17 -1.60 0.18 0.00 -0.02 0.00 0.00 35.03 33.76 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 2.68 1.01 -2.25 7.82 0.00 -0.24 -3.35 119.26 124.93 1j5n h ALA 61 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1j5n h ALA 61 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 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 -4.00 0.00 0.00 0.00 4.77 -0.81 -5.04 117.00 111.92 1j5n n LEU 62 Ca -0.02 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1j5n n LEU 62 Cb 0.51 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1j5n n LEU 62 CO 0.43 -0.13 0.00 0.41 -1.33 0.00 0.00 177.39 176.77 1j5n n THR 63 N -0.93 0.00 -0.32 -5.08 -1.04 -1.26 -4.86 114.28 100.80 1j5n n THR 63 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1j5n n THR 63 Cb 0.00 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.05 -0.43 -2.82 0.11 -1.94 0.55 132.00 127.53 1j5n h PRO 64 Ca 0.00 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1j5n h PRO 64 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 1j5n h PRO 64 CO 0.00 0.04 0.22 1.49 -0.21 0.00 0.00 178.00 179.53 1j5n h GLU 65 N 0.06 0.43 -0.06 1.05 4.81 -2.00 0.40 114.58 119.26 1j5n h GLU 65 Ca 0.55 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.77 1j5n h GLU 65 Cb 1.10 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1j5n h GLU 65 CO -0.83 0.28 0.06 0.93 -0.73 0.00 0.00 179.01 178.72 1j5n h GLU 66 N 0.44 0.00 0.00 1.92 4.39 -0.30 0.66 114.58 121.69 1j5n h GLU 66 Ca 0.18 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.77 1j5n h GLU 66 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1j5n h GLU 66 CO -0.13 0.00 -0.53 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 0.46 -3.37 116.57 117.06 1j5n h LYS 67 Ca 0.03 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1j5n h LYS 67 Cb 0.14 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1j5n h LYS 67 CO -0.00 0.52 -0.16 1.04 -0.57 0.00 0.00 179.45 180.28 1j5n n GLN 68 N -3.22 -0.08 0.18 3.15 6.02 0.22 0.61 117.38 124.26 1j5n n GLN 68 Ca 0.02 0.79 -0.15 0.00 -0.01 0.00 0.00 57.00 57.65 1j5n n GLN 68 Cb 0.74 -1.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.76 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 -0.23 132.00 128.37 1j5n h PRO 69 Ca 0.22 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1j5n h PRO 69 Cb 0.34 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1j5n h PRO 69 CO -0.52 -0.44 -0.03 1.88 -0.21 0.00 0.00 178.00 178.68 1j5n h TYR 70 N -0.68 0.00 -0.91 0.65 0.05 -0.40 -1.59 116.97 114.08 1j5n h TYR 70 Ca -0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 1j5n h TYR 70 Cb 0.65 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.22 1j5n h TYR 70 CO -0.25 0.00 -0.01 1.49 -1.05 0.00 0.00 178.16 178.35 1j5n h GLU 71 N -0.98 0.04 -0.80 4.88 4.22 0.04 3.14 114.58 125.12 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 0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1j5n h GLU 71 CO 0.00 0.03 0.34 0.00 -2.18 0.00 0.00 179.01 177.19 1j5n h ALA 72 N 1.89 1.07 0.00 2.92 0.00 -1.12 0.40 119.26 124.43 1j5n h ALA 72 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1j5n h ALA 72 Cb 1.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j5n h ALA 72 CO -0.85 0.67 0.00 1.17 0.00 0.00 0.00 179.25 180.24 1j5n n LYS 73 N -4.28 0.03 -0.06 0.00 4.81 0.94 -0.94 118.16 118.66 1j5n n LYS 73 Ca 0.07 0.40 -0.18 0.00 -0.87 0.00 0.00 58.31 57.73 1j5n n LYS 73 Cb 0.18 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.53 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 2.23 0.10 0.00 3.14 0.00 0.62 -2.00 119.26 123.35 1j5n h ALA 74 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 1j5n h ALA 74 Cb 0.13 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j5n h ALA 74 CO 0.00 0.37 -0.17 -0.56 0.00 0.00 0.00 179.25 178.89 1j5n h GLN 75 N -0.83 0.00 -0.12 0.00 3.07 -0.95 0.41 115.11 116.68 1j5n h GLN 75 Ca -0.16 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.53 1j5n h GLN 75 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.83 1j5n h GLN 75 CO -0.04 0.17 -0.11 0.00 0.09 0.00 0.00 178.83 178.94 1j5n h ALA 76 N 1.83 0.18 0.00 0.06 0.00 -1.10 -2.28 119.26 117.95 1j5n h ALA 76 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1j5n h ALA 76 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j5n h ALA 76 CO 0.02 0.02 -0.24 0.22 0.00 0.00 0.00 179.25 179.28 1j5n h ASP 77 N -0.09 0.00 -0.29 0.00 1.82 -0.89 -1.85 116.42 115.12 1j5n h ASP 77 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1j5n h ASP 77 Cb 0.62 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1j5n h ASP 77 CO 0.03 0.24 0.15 0.50 -1.61 0.00 0.00 179.24 178.55 1j5n h LYS 78 N 0.00 0.42 -0.24 0.28 3.64 0.01 -2.48 116.57 118.20 1j5n h LYS 78 Ca -0.00 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1j5n h LYS 78 Cb 0.82 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1j5n h LYS 78 CO 0.03 0.39 -0.12 0.87 -2.27 0.00 0.00 179.45 178.35 1j5n h LYS 79 N 0.35 0.51 -0.82 1.90 1.79 -1.27 -0.34 116.57 118.69 1j5n h LYS 79 Ca 0.10 -0.22 0.08 0.00 -2.18 0.00 0.00 60.65 58.42 1j5n h LYS 79 Cb 0.10 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.63 1j5n h LYS 79 CO -0.01 0.77 -0.47 -2.13 -1.08 0.00 0.00 179.45 176.53 1j5n n ARG 80 N -4.49 -0.35 0.13 3.15 3.00 -0.71 0.22 116.66 117.60 1j5n n ARG 80 Ca -0.04 1.23 -0.02 0.00 -0.00 0.00 0.00 57.85 59.02 1j5n n ARG 80 Cb 0.35 -1.81 0.19 0.00 0.00 0.00 0.00 32.46 31.18 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 0.09 -0.01 -0.14 5.03 -1.44 -2.73 116.97 117.76 1j5n h TYR 81 Ca 0.14 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1j5n h TYR 81 Cb 0.34 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 1j5n h TYR 81 CO -0.83 0.62 0.50 1.49 -1.32 0.00 0.00 178.16 178.61 1j5n h GLU 82 N 0.05 0.00 0.00 1.82 4.81 0.44 0.54 114.58 122.24 1j5n h GLU 82 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1j5n h GLU 82 Cb 1.02 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.41 1j5n h GLU 82 CO 0.08 0.00 -0.41 1.03 -0.73 0.00 0.00 179.01 178.98 1j5n h SER 83 N 0.00 0.35 0.84 1.04 0.87 -0.82 -1.49 113.55 114.34 1j5n h SER 83 Ca 0.01 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1j5n h SER 83 Cb 1.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1j5n h SER 83 CO -0.00 1.09 0.00 -1.84 -0.53 0.00 0.00 176.83 175.55 1j5n n GLU 84 N -4.38 0.06 -0.11 2.24 0.28 0.17 -1.94 120.64 116.97 1j5n n GLU 84 Ca -0.10 0.17 -0.22 0.00 -0.16 0.00 0.00 57.16 56.85 1j5n n GLU 84 Cb 0.58 -1.58 -0.11 0.00 1.43 0.00 0.00 31.44 31.76 1j5n n GLU 84 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1j5n n LYS 85 N -1.68 0.56 -0.22 3.44 2.85 -0.35 -1.15 118.16 121.62 1j5n n LYS 85 Ca 0.05 0.56 0.11 0.00 -1.05 0.00 0.00 58.31 57.98 1j5n n LYS 85 Cb 0.27 -1.73 0.40 0.00 -0.65 0.00 0.00 35.03 33.32 1j5n n LYS 85 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1j5n h GLU 86 N -1.00 0.63 0.21 -1.58 4.11 -1.25 -1.04 114.58 114.65 1j5n h GLU 86 Ca -0.36 -0.04 -0.31 0.00 0.07 0.00 0.00 59.36 58.71 1j5n h GLU 86 Cb 1.31 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1j5n h GLU 86 CO -0.22 0.41 -1.45 1.25 0.07 0.00 0.00 179.01 179.07 1j5n h LEU 87 N 0.65 0.69 -0.85 3.06 6.46 -1.54 -1.46 115.31 122.31 1j5n h LEU 87 Ca 0.39 -0.92 0.32 0.00 -0.12 0.00 0.00 57.88 57.54 1j5n h LEU 87 Cb 0.60 -0.22 -0.15 0.00 -0.73 0.00 0.00 40.66 40.15 1j5n h LEU 87 CO -0.15 1.68 0.32 0.00 -0.62 0.00 0.00 178.44 179.67 1j5n n TYR 88 N -3.77 0.85 -0.04 1.25 9.36 -0.30 0.20 117.16 124.71 1j5n n TYR 88 Ca -0.19 1.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.94 1j5n n TYR 88 Cb 1.04 -1.33 -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 0.09 0.22 0.00 0.00 176.86 177.17 1j5n n ASN 89 N -5.02 0.74 -0.04 2.98 3.02 -0.88 -1.65 115.26 114.41 1j5n n ASN 89 Ca 0.28 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1j5n n ASN 89 Cb 0.95 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 90 N -2.60 2.43 0.00 5.41 0.00 0.53 -1.79 120.51 124.49 1j5n n ALA 90 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 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 -0.46 0.00 0.09 0.00 5.66 0.25 -4.86 114.28 114.96 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 0.02 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.17 -0.09 1.09 8.10 -1.41 -3.51 115.31 119.67 1j5n h LEU 92 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1j5n h LEU 92 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1j5n h LEU 92 CO 0.00 0.95 0.00 0.00 -4.11 0.00 0.00 178.44 175.28