#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 0.49 -3.54 2.03 0.31 -1.26 -4.94 118.33 111.42 1j5n n VAL 2 Ca 0.00 -0.52 -0.39 0.00 -0.01 0.00 0.00 64.34 63.42 1j5n n VAL 2 Cb 0.00 0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 33.57 1j5n n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1j5n s THR 3 N -0.57 4.87 -0.02 2.52 2.01 -1.26 -4.90 115.64 118.30 1j5n s THR 3 Ca 0.02 -3.68 -0.25 0.00 0.31 0.00 0.00 61.69 58.10 1j5n s THR 3 Cb 0.02 -3.99 -0.18 0.00 0.01 0.00 0.00 72.50 68.36 1j5n s THR 3 CO 0.00 -1.11 1.17 1.55 -0.69 0.00 0.00 174.62 175.54 1j5n h PRO 4 N 6.28 -0.14 -4.93 4.92 0.13 -2.06 -3.48 132.00 132.72 1j5n h PRO 4 Ca 0.16 0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 65.01 1j5n h PRO 4 Cb 0.84 0.03 0.13 0.00 0.13 0.00 0.00 31.00 32.13 1j5n h PRO 4 CO 0.90 0.30 -0.60 0.54 -0.23 0.00 0.00 178.00 178.91 1j5n n ARG 5 N -4.93 -5.73 -0.01 0.86 5.12 -1.26 -4.96 116.66 105.74 1j5n n ARG 5 Ca -0.09 0.68 -0.21 0.00 -1.93 0.00 0.00 57.85 56.31 1j5n n ARG 5 Cb 0.25 -5.22 -0.13 0.00 -1.16 0.00 0.00 32.46 26.20 1j5n n ARG 5 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1j5n h GLU 6 N -1.76 0.20 0.00 5.56 3.07 -2.02 -3.47 114.58 116.15 1j5n h GLU 6 Ca -0.47 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 57.93 1j5n h GLU 6 Cb 1.28 0.13 0.07 0.00 -0.84 0.00 0.00 28.75 29.39 1j5n h GLU 6 CO 0.42 1.16 -0.06 -2.30 -1.40 0.00 0.00 179.01 176.83 1j5n n PRO 7 N -4.02 -1.27 0.00 2.33 -0.02 -1.26 -4.97 135.00 125.79 1j5n n PRO 7 Ca -0.25 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1j5n n PRO 7 Cb 0.85 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1j5n n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1j5n n LYS 8 N -1.71 0.00 0.00 -0.52 0.00 -1.26 -5.01 118.16 109.66 1j5n n LYS 8 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1j5n n LYS 8 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.23 1j5n n LYS 8 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1j5n n LYS 9 N -0.31 0.00 -0.28 1.64 2.85 -1.26 -4.96 118.16 115.84 1j5n n LYS 9 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 1j5n n LYS 9 Cb 0.00 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.45 1j5n n LYS 9 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1j5n n ARG 10 N -1.40 -0.12 0.00 -1.58 1.74 -1.26 -2.22 116.66 111.82 1j5n n ARG 10 Ca 0.00 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 1j5n n ARG 10 Cb 0.00 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1j5n n ARG 10 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1j5n n THR 11 N -5.18 0.00 -3.06 0.55 -1.04 -1.26 -4.88 114.28 99.40 1j5n n THR 11 Ca 0.10 0.56 -0.17 0.00 -2.04 0.00 0.00 64.05 62.50 1j5n n THR 11 Cb 0.35 -0.89 0.02 0.00 -1.82 0.00 0.00 70.33 67.98 1j5n n THR 11 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1j5n n THR 12 N -0.57 -8.58 -1.03 12.58 -1.04 -0.94 -4.62 114.28 110.07 1j5n n THR 12 Ca 0.00 0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 62.28 1j5n n THR 12 Cb 0.00 -5.94 -0.07 0.00 -1.82 0.00 0.00 70.33 62.50 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5n n ARG 13 N -0.13 0.00 -4.41 -2.82 0.00 -1.26 -4.91 116.66 103.13 1j5n n ARG 13 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.69 1j5n n ARG 13 Cb 0.50 -1.00 -0.10 0.00 -0.00 0.00 0.00 32.46 31.86 1j5n n ARG 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1j5n s LYS 14 N 2.80 1.56 0.28 2.89 1.02 -1.26 -5.11 119.74 121.92 1j5n s LYS 14 Ca 0.74 -1.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.68 1j5n s LYS 14 Cb -1.00 -0.84 -0.15 0.00 -0.52 0.00 0.00 37.83 35.33 1j5n s LYS 14 CO 0.50 -0.13 0.24 1.63 -0.92 0.00 0.00 175.35 176.67 1j5n n LYS 15 N -0.60 0.00 -3.50 1.68 4.01 -1.26 -4.98 118.16 113.51 1j5n n LYS 15 Ca -0.03 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1j5n n LYS 15 Cb 0.65 -0.90 -0.05 0.00 -0.51 0.00 0.00 35.03 34.22 1j5n n LYS 15 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j5n s LYS 16 N -0.90 0.13 0.00 1.97 2.47 -1.26 -5.16 119.74 117.00 1j5n s LYS 16 Ca 0.55 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 55.22 1j5n s LYS 16 Cb -0.68 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 35.77 1j5n s LYS 16 CO 0.54 -0.03 0.00 -0.25 0.16 0.00 0.00 175.35 175.76 1j5n n ASP 17 N 3.78 -0.04 0.28 1.43 8.00 -1.26 -4.32 116.55 124.42 1j5n n ASP 17 Ca -0.14 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 1j5n n ASP 17 Cb 0.56 0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 42.29 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 -0.68 0.00 -0.24 0.13 -1.98 -3.34 132.00 125.89 1j5n h PRO 18 Ca 0.00 0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1j5n h PRO 18 Cb 0.00 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1j5n h PRO 18 CO 0.00 -0.45 -1.52 0.09 -0.23 0.00 0.00 178.00 175.89 1j5n n ASN 19 N -5.41 2.59 -2.65 1.44 3.02 -1.26 -5.08 115.26 107.91 1j5n n ASN 19 Ca -0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 1j5n n ASN 19 Cb 0.30 1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 40.82 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 -1.95 -1.56 -0.03 5.41 0.00 -1.26 -4.87 120.51 116.25 1j5n n ALA 20 Ca -0.04 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1j5n n ALA 20 Cb 0.37 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 4.57 0.21 -0.69 0.00 0.11 -1.91 -3.49 132.00 130.79 1j5n h PRO 21 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1j5n h PRO 21 Cb 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1j5n h PRO 21 CO 0.00 0.31 0.00 1.63 -0.21 0.00 0.00 178.00 179.73 1j5n n LYS 22 N -4.88 0.00 -0.31 1.05 5.02 -1.26 -4.85 118.16 112.93 1j5n n LYS 22 Ca -0.05 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1j5n n LYS 22 Cb 0.12 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.12 0.00 -0.50 1.97 1.85 -1.26 -4.82 116.66 113.78 1j5n n ARG 23 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1j5n n ARG 23 Cb 0.00 -0.25 0.25 0.00 -1.05 0.00 0.00 32.46 31.41 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n n ALA 24 N -0.41 -3.41 -1.00 2.89 0.00 -1.26 -5.02 120.51 112.30 1j5n n ALA 24 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1j5n n ALA 24 Cb 0.12 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1j5n n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5n n LEU 25 N -4.27 0.00 -4.36 0.00 4.32 -1.26 -5.00 117.00 106.43 1j5n n LEU 25 Ca 0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.82 1j5n n LEU 25 Cb 0.56 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.26 1j5n n LEU 25 CO 0.56 -0.79 -0.43 -0.55 -1.22 0.00 0.00 177.39 174.97 1j5n s SER 26 N -1.50 2.60 0.62 -1.43 0.15 -1.26 -4.89 113.70 107.98 1j5n s SER 26 Ca 0.00 -1.05 0.37 0.00 0.70 0.00 0.00 55.95 55.97 1j5n s SER 26 Cb 0.00 -0.14 2.06 0.00 -1.71 0.00 0.00 66.02 66.23 1j5n s SER 26 CO 0.00 -0.20 2.29 0.00 1.20 0.00 0.00 173.24 176.53 1j5n h ALA 27 N 2.51 1.23 0.00 5.45 0.00 -1.89 0.25 119.26 126.81 1j5n h ALA 27 Ca -0.38 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1j5n h ALA 27 Cb 1.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1j5n h ALA 27 CO 0.63 0.01 -0.30 -0.92 0.00 0.00 0.00 179.25 178.67 1j5n h TYR 28 N 0.00 0.00 0.10 0.00 5.03 -1.95 -2.31 116.97 117.84 1j5n h TYR 28 Ca -0.00 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.14 1j5n h TYR 28 Cb 0.06 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.35 1j5n h TYR 28 CO 0.00 0.30 -0.77 0.52 -1.32 0.00 0.00 178.16 176.89 1j5n h MET 29 N 0.00 0.21 -0.26 1.82 0.00 -1.36 0.28 114.93 115.63 1j5n h MET 29 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 59.70 59.30 1j5n h MET 29 Cb 1.17 0.14 -0.01 0.00 0.00 0.00 0.00 31.60 32.90 1j5n h MET 29 CO 0.04 1.18 0.05 0.74 0.00 0.00 0.00 176.91 178.92 1j5n h PHE 30 N -0.52 0.45 0.22 -0.22 0.04 -1.54 0.40 116.94 115.77 1j5n h PHE 30 Ca -0.15 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1j5n h PHE 30 Cb 1.51 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.54 1j5n h PHE 30 CO 0.20 0.52 -0.11 0.35 -0.60 0.00 0.00 178.31 178.67 1j5n h PHE 31 N 0.25 -0.27 -0.04 -0.55 3.57 -1.55 -2.34 116.94 116.01 1j5n h PHE 31 Ca 0.08 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1j5n h PHE 31 Cb 0.30 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1j5n h PHE 31 CO 0.02 0.05 0.15 0.00 -2.23 0.00 0.00 178.31 176.30 1j5n h ALA 32 N 0.07 1.28 -0.05 2.41 0.00 -0.90 0.01 119.26 122.08 1j5n h ALA 32 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j5n h ALA 32 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j5n h ALA 32 CO 0.05 -0.17 -0.05 -0.91 0.00 0.00 0.00 179.25 178.17 1j5n h ASN 33 N 0.00 0.12 -0.42 0.00 2.35 0.32 0.12 115.58 118.07 1j5n h ASN 33 Ca 0.02 -0.50 -0.03 0.00 -0.55 0.00 0.00 56.30 55.23 1j5n h ASN 33 Cb 0.31 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1j5n h ASN 33 CO -0.00 0.60 0.13 -0.33 -1.65 0.00 0.00 177.43 176.18 1j5n h GLU 34 N -0.35 0.65 0.00 0.81 5.08 -0.65 -3.32 114.58 116.80 1j5n h GLU 34 Ca 0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1j5n h GLU 34 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j5n h GLU 34 CO 0.01 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 178.76 1j5n n ASN 35 N -4.58 0.00 0.00 1.42 5.03 -0.29 -2.30 115.26 114.54 1j5n n ASN 35 Ca 0.00 0.90 0.00 0.00 0.87 0.00 0.00 54.58 56.35 1j5n n ASN 35 Cb 0.18 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 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 -1.99 0.00 0.05 3.52 0.63 0.41 0.41 116.66 119.70 1j5n n ARG 36 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 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 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.15 0.00 6.15 3.32 -1.67 -1.56 116.42 122.51 1j5n h ASP 37 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1j5n h ASP 37 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1j5n h ASP 37 CO 0.00 0.31 0.00 -0.38 -1.72 0.00 0.00 179.24 177.45 1j5n n ILE 38 N -4.96 0.00 -0.22 0.35 -0.00 1.39 0.30 119.36 116.22 1j5n n ILE 38 Ca -0.09 1.45 -0.12 0.00 -0.00 0.00 0.00 62.75 63.99 1j5n n ILE 38 Cb 0.26 -2.41 -0.09 0.00 -0.00 0.00 0.00 39.64 37.39 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 0.01 0.00 1.39 2.07 -0.21 0.45 116.25 119.96 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 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 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 -1.34 -0.04 114.38 116.72 1j5n h ARG 40 Ca 0.11 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1j5n h ARG 40 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1j5n h ARG 40 CO -0.70 0.03 -0.32 0.77 -1.51 0.00 0.00 179.97 178.24 1j5n h SER 41 N 0.00 0.00 0.66 -3.80 0.02 0.44 0.36 113.55 111.24 1j5n h SER 41 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1j5n h SER 41 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1j5n h SER 41 CO 0.00 0.32 -1.42 -0.62 -1.14 0.00 0.00 176.83 173.98 1j5n n GLU 42 N -3.43 0.62 -3.11 3.45 1.02 -0.15 -4.47 120.64 114.59 1j5n n GLU 42 Ca 0.00 0.12 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 1j5n n GLU 42 Cb 0.50 -1.76 -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 -2.73 1.73 0.25 1.62 3.02 -0.50 -4.93 115.26 113.72 1j5n n ASN 43 Ca -0.07 -3.16 0.08 0.00 -0.03 0.00 0.00 54.58 51.39 1j5n n ASN 43 Cb 0.73 -0.60 0.61 0.00 -0.61 0.00 0.00 39.78 39.91 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 0.00 -1.01 3.52 0.11 -1.15 -1.64 132.00 134.82 1j5n h PRO 44 Ca 0.10 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.65 1j5n h PRO 44 Cb 0.87 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.69 1j5n h PRO 44 CO 0.58 0.08 0.72 -0.25 -0.21 0.00 0.00 178.00 178.92 1j5n n ASP 45 N -4.34 5.20 -0.11 -2.05 9.92 -1.26 -4.41 116.55 119.49 1j5n n ASP 45 Ca -0.03 -3.63 -0.25 0.00 -0.53 0.00 0.00 54.79 50.35 1j5n n ASP 45 Cb 0.16 -0.89 -0.11 0.00 -0.64 0.00 0.00 41.12 39.64 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 -1.00 1.55 0.00 0.53 3.06 -0.62 -5.12 119.36 117.76 1j5n n ILE 46 Ca 0.59 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 60.52 1j5n n ILE 46 Cb 1.27 -1.86 0.00 0.00 0.54 0.00 0.00 39.64 39.59 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 -4.11 0.00 0.00 9.51 -1.04 -1.26 -4.59 114.28 112.78 1j5n n THR 47 Ca -0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1j5n n THR 47 Cb 0.85 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 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 1.99 0.00 -0.24 -1.42 7.35 -1.26 -0.52 117.46 123.36 1j5n n PHE 48 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1j5n n PHE 48 Cb 0.00 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.14 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 -0.41 -0.38 0.13 7.13 0.00 -1.26 0.20 105.19 110.60 1j5n n GLY 49 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.19 -0.09 1.61 1.08 -1.05 -2.35 115.11 114.11 1j5n h GLN 50 Ca 0.38 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 1j5n h GLN 50 Cb 1.35 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1j5n h GLN 50 CO -0.11 0.17 0.01 -0.24 -0.95 0.00 0.00 178.83 177.71 1j5n h VAL 51 N -0.96 1.23 0.37 -0.54 3.04 0.35 -1.15 116.25 118.59 1j5n h VAL 51 Ca -0.02 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 64.94 1j5n h VAL 51 Cb 0.45 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1j5n h VAL 51 CO 0.03 0.20 -0.18 1.23 -1.01 0.00 0.00 177.57 177.85 1j5n h GLY 52 N -0.09 -0.52 0.67 3.17 0.00 -0.58 0.37 103.07 106.10 1j5n h GLY 52 Ca 0.03 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.60 1j5n h GLY 52 CO 0.00 -0.19 0.26 0.50 0.00 0.00 0.00 176.54 177.11 1j5n h LYS 53 N -0.57 0.49 0.00 4.80 1.57 -1.55 0.11 116.57 121.41 1j5n h LYS 53 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1j5n h LYS 53 Cb 0.38 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1j5n h LYS 53 CO 0.08 0.32 0.00 -0.22 -0.57 0.00 0.00 179.45 179.07 1j5n h LYS 54 N 0.50 0.00 0.34 3.15 3.11 -1.27 -2.33 116.57 120.07 1j5n h LYS 54 Ca 0.24 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.06 1j5n h LYS 54 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1j5n h LYS 54 CO -0.18 0.00 -0.17 1.25 -2.81 0.00 0.00 179.45 177.54 1j5n h LEU 55 N 0.00 -0.39 -1.12 5.20 6.46 0.24 -1.51 115.31 124.19 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 0.42 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1j5n h LEU 55 CO 0.00 -0.03 0.36 1.23 -0.62 0.00 0.00 178.44 179.38 1j5n h GLY 56 N -0.79 1.04 0.77 3.75 0.00 -1.26 0.33 103.07 106.91 1j5n h GLY 56 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1j5n h GLY 56 CO 0.08 0.46 -0.28 -2.09 0.00 0.00 0.00 176.54 174.70 1j5n h GLU 57 N 0.98 -0.62 0.00 4.80 4.57 -1.38 -1.63 114.58 121.29 1j5n h GLU 57 Ca 0.24 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1j5n h GLU 57 Cb 0.06 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1j5n h GLU 57 CO -0.04 -0.41 -0.07 0.87 -1.18 0.00 0.00 179.01 178.18 1j5n h LYS 58 N -0.64 0.00 0.49 1.92 1.79 -1.06 -0.87 116.57 118.19 1j5n h LYS 58 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1j5n h LYS 58 Cb 0.56 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1j5n h LYS 58 CO -0.01 0.07 -0.37 2.35 -1.08 0.00 0.00 179.45 180.41 1j5n h TRP 59 N 0.00 -0.99 0.00 -1.35 -0.00 0.63 -1.96 115.95 112.28 1j5n h TRP 59 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1j5n h TRP 59 Cb 0.51 0.37 0.00 0.00 -0.00 0.00 0.00 29.16 30.04 1j5n h TRP 59 CO 0.00 -0.54 -0.11 0.87 -0.00 0.00 0.00 178.44 178.66 1j5n h LYS 60 N -0.84 0.00 -0.41 2.65 1.57 -1.39 -3.27 116.57 114.88 1j5n h LYS 60 Ca -0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1j5n h LYS 60 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1j5n h LYS 60 CO 0.01 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.82 1j5n h ALA 61 N 2.47 1.12 -2.40 3.86 0.00 -0.63 -3.33 119.26 120.36 1j5n h ALA 61 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j5n h ALA 61 Cb 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j5n h ALA 61 CO 0.00 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1j5n n LEU 62 N -4.20 0.00 0.00 0.00 4.77 -0.78 -5.04 117.00 111.74 1j5n n LEU 62 Ca 0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1j5n n LEU 62 Cb 0.32 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1j5n n LEU 62 CO 0.41 -0.10 0.00 0.41 -1.33 0.00 0.00 177.39 176.78 1j5n n THR 63 N -0.85 0.00 -0.33 -5.08 -1.04 -1.25 -4.86 114.28 100.87 1j5n n THR 63 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1j5n n THR 63 Cb 0.00 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.78 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 -0.35 -2.82 0.11 -1.93 0.55 132.00 127.60 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 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1j5n h PRO 64 CO 0.00 0.02 0.15 1.49 -0.21 0.00 0.00 178.00 179.46 1j5n h GLU 65 N 0.04 0.31 -0.06 1.05 4.81 -2.00 0.56 114.58 119.28 1j5n h GLU 65 Ca 0.57 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.80 1j5n h GLU 65 Cb 1.15 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1j5n h GLU 65 CO -0.87 0.20 0.07 0.93 -0.73 0.00 0.00 179.01 178.61 1j5n h GLU 66 N 0.32 0.00 0.00 1.92 4.39 -0.29 0.51 114.58 121.43 1j5n h GLU 66 Ca 0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 1j5n h GLU 66 Cb 0.09 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 -0.71 0.87 -1.16 0.00 0.00 179.01 177.88 1j5n h LYS 67 N 0.00 0.00 -0.56 2.33 1.57 0.45 -3.36 116.57 116.99 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 0.16 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 1j5n h LYS 67 CO -0.00 0.61 -0.15 1.04 -0.57 0.00 0.00 179.45 180.38 1j5n n GLN 68 N -3.23 -0.06 0.13 3.15 6.02 0.17 0.51 117.38 124.06 1j5n n GLN 68 Ca 0.00 0.88 -0.14 0.00 -0.01 0.00 0.00 57.00 57.73 1j5n n GLN 68 Cb 0.80 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.68 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 -0.59 0.00 -1.09 0.11 -1.76 -0.09 132.00 128.58 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 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1j5n h PRO 69 CO -0.58 -0.40 -0.07 1.88 -0.21 0.00 0.00 178.00 178.62 1j5n h TYR 70 N -0.62 0.00 -0.96 0.65 -1.99 -0.43 -1.73 116.97 111.89 1j5n h TYR 70 Ca 0.02 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.95 1j5n h TYR 70 Cb 0.63 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.18 1j5n h TYR 70 CO -0.30 0.00 -0.21 1.49 -0.00 0.00 0.00 178.16 179.13 1j5n h GLU 71 N -0.95 0.00 -0.79 4.88 4.81 -0.07 3.20 114.58 125.66 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 29.42 1j5n h GLU 71 CO 0.00 0.00 0.46 0.00 -0.73 0.00 0.00 179.01 178.75 1j5n h ALA 72 N 1.95 1.00 0.00 2.92 0.00 -1.10 0.44 119.26 124.48 1j5n h ALA 72 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j5n h ALA 72 Cb 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1j5n h ALA 72 CO -0.97 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 178.53 1j5n h LYS 73 N 1.08 0.00 -0.01 0.00 3.64 0.61 -0.81 116.57 121.08 1j5n h LYS 73 Ca 0.28 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 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 -0.16 0.00 -2.27 0.00 0.00 179.45 176.97 1j5n h ALA 74 N 2.01 0.03 -0.57 5.00 0.00 0.65 -1.11 119.26 125.27 1j5n h ALA 74 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j5n h ALA 74 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1j5n h ALA 74 CO 0.00 0.01 0.35 1.96 0.00 0.00 0.00 179.25 181.56 1j5n h GLN 75 N -0.57 0.76 -0.63 0.00 4.20 -0.80 0.46 115.11 118.54 1j5n h GLN 75 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1j5n h GLN 75 Cb 0.90 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1j5n h GLN 75 CO 0.03 0.53 0.35 0.00 -0.67 0.00 0.00 178.83 179.07 1j5n h ALA 76 N 1.60 0.80 0.00 3.87 0.00 -1.13 -1.24 119.26 123.16 1j5n h ALA 76 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j5n h ALA 76 Cb -0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1j5n h ALA 76 CO -0.04 0.31 -0.07 0.22 0.00 0.00 0.00 179.25 179.68 1j5n h ASP 77 N 0.85 0.00 -0.07 0.00 1.82 -0.06 -2.35 116.42 116.61 1j5n h ASP 77 Ca 0.22 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1j5n h ASP 77 Cb 0.03 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 1j5n h ASP 77 CO -0.04 0.07 0.03 0.11 -1.61 0.00 0.00 179.24 177.80 1j5n h LYS 78 N 0.00 0.11 -0.27 0.28 1.57 0.11 -2.46 116.57 115.91 1j5n h LYS 78 Ca -0.00 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 1j5n h LYS 78 Cb 0.83 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1j5n h LYS 78 CO 0.01 0.21 -0.60 1.57 -0.57 0.00 0.00 179.45 180.07 1j5n h LYS 79 N -0.02 0.87 -0.82 3.15 5.09 -1.44 -1.00 116.57 122.40 1j5n h LYS 79 Ca 0.02 -0.58 0.08 0.00 0.09 0.00 0.00 60.65 60.26 1j5n h LYS 79 Cb 0.14 0.08 -0.10 0.00 0.10 0.00 0.00 32.23 32.44 1j5n h LYS 79 CO -0.00 1.21 -0.53 -0.09 -2.09 0.00 0.00 179.45 177.95 1j5n h ARG 80 N 0.65 -0.06 -0.19 0.07 9.65 -1.24 0.64 114.38 123.90 1j5n h ARG 80 Ca 0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1j5n h ARG 80 Cb 1.21 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1j5n h ARG 80 CO 0.13 -0.04 -0.62 -0.92 2.80 0.00 0.00 179.97 181.32 1j5n h TYR 81 N -0.06 0.87 -1.49 2.20 5.03 -1.50 -3.09 116.97 118.93 1j5n h TYR 81 Ca 0.13 -0.33 0.49 0.00 2.58 0.00 0.00 58.73 61.59 1j5n h TYR 81 Cb 0.40 -0.15 -0.12 0.00 1.55 0.00 0.00 36.73 38.41 1j5n h TYR 81 CO -0.97 1.12 1.00 -1.91 -1.32 0.00 0.00 178.16 176.08 1j5n n GLU 82 N -3.95 -0.02 0.12 1.82 2.13 0.14 0.19 120.64 121.06 1j5n n GLU 82 Ca -0.05 1.15 -0.13 0.00 0.66 0.00 0.00 57.16 58.80 1j5n n GLU 82 Cb 0.66 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 1j5n n GLU 82 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1j5n h SER 83 N 0.00 -0.28 -0.80 4.31 0.02 -1.25 -1.89 113.55 113.67 1j5n h SER 83 Ca 0.86 -0.23 0.23 0.00 -0.84 0.00 0.00 61.79 61.81 1j5n h SER 83 Cb 2.99 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 65.57 1j5n h SER 83 CO -0.32 0.13 0.83 -0.08 -1.14 0.00 0.00 176.83 176.26 1j5n h GLU 84 N -0.73 0.00 0.10 3.45 4.57 0.20 0.86 114.58 123.04 1j5n h GLU 84 Ca -0.03 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1j5n h GLU 84 Cb 0.49 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1j5n h GLU 84 CO 0.05 0.00 -0.73 1.57 -1.18 0.00 0.00 179.01 178.73 1j5n h LYS 85 N 0.00 0.31 -0.97 1.92 2.10 -0.85 -1.11 116.57 117.96 1j5n h LYS 85 Ca 0.38 -0.47 0.25 0.00 -2.00 0.00 0.00 60.65 58.81 1j5n h LYS 85 Cb 2.04 0.17 -0.07 0.00 -0.90 0.00 0.00 32.23 33.47 1j5n h LYS 85 CO -0.00 1.20 0.66 1.05 -2.00 0.00 0.00 179.45 180.35 1j5n h GLU 86 N -0.34 0.27 0.16 0.07 4.11 0.15 0.14 114.58 119.15 1j5n h GLU 86 Ca -0.12 -0.02 -0.27 0.00 0.07 0.00 0.00 59.36 59.02 1j5n h GLU 86 Cb 1.54 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.74 1j5n h GLU 86 CO 0.14 0.18 -1.29 1.25 0.07 0.00 0.00 179.01 179.36 1j5n h LEU 87 N 0.28 0.54 -0.86 3.06 6.46 -1.40 -1.42 115.31 121.97 1j5n h LEU 87 Ca 0.51 -0.91 0.36 0.00 -0.12 0.00 0.00 57.88 57.72 1j5n h LEU 87 Cb 1.50 -0.18 -0.15 0.00 -0.73 0.00 0.00 40.66 41.10 1j5n h LEU 87 CO -0.16 1.59 0.47 0.00 -0.62 0.00 0.00 178.44 179.72 1j5n n TYR 88 N -3.90 0.99 -0.05 1.25 9.36 0.43 0.21 117.16 125.45 1j5n n TYR 88 Ca -0.20 1.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.93 1j5n n TYR 88 Cb 0.94 -1.42 -0.15 0.00 -0.63 0.00 0.00 39.34 38.09 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 -4.92 0.54 0.00 2.98 3.02 -0.80 -1.72 115.26 114.36 1j5n n ASN 89 Ca 0.33 0.26 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 1j5n n ASN 89 Cb 1.11 0.35 0.43 0.00 -0.61 0.00 0.00 39.78 41.06 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 -2.63 2.35 0.00 5.41 0.00 0.57 -1.64 120.51 124.57 1j5n n ALA 90 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1j5n n ALA 90 Cb 1.09 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.80 0.00 0.12 0.00 5.66 0.25 -4.83 114.28 114.68 1j5n n THR 91 Ca 0.11 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.09 1j5n n THR 91 Cb 0.05 -0.58 0.18 0.00 -1.55 0.00 0.00 70.33 68.43 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 0.12 0.00 1.09 8.10 -1.43 -3.51 115.31 119.69 1j5n h LEU 92 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1j5n h LEU 92 Cb 0.31 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1j5n h LEU 92 CO 0.00 0.66 0.00 0.00 -4.11 0.00 0.00 178.44 174.99