#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 0.00 -0.24 3.17 3.14 -1.26 -4.96 118.33 118.19 1j5n n VAL 2 Ca 0.00 -0.26 -0.06 0.00 -2.96 0.00 0.00 64.34 61.06 1j5n n VAL 2 Cb 0.00 0.52 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 1j5n n VAL 2 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1j5n h THR 3 N 6.18 0.10 -2.31 1.55 2.02 -2.12 -3.35 112.91 114.98 1j5n h THR 3 Ca -0.16 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.48 1j5n h THR 3 Cb 1.44 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1j5n h THR 3 CO -0.03 0.00 1.32 -2.16 0.37 0.00 0.00 175.52 175.02 1j5n s PRO 4 N -5.91 2.94 0.56 6.66 0.04 -1.26 -4.98 135.00 133.06 1j5n s PRO 4 Ca -0.14 1.01 0.04 0.00 0.04 0.00 0.00 61.00 61.94 1j5n s PRO 4 Cb 0.15 -4.30 0.11 0.00 0.04 0.00 0.00 34.50 30.50 1j5n s PRO 4 CO 0.68 -2.33 0.78 0.54 0.04 0.00 0.00 177.00 176.70 1j5n n ARG 5 N 8.80 0.30 -3.78 4.56 5.12 -1.26 -5.12 116.66 125.28 1j5n n ARG 5 Ca 0.22 -2.48 -0.20 0.00 -1.93 0.00 0.00 57.85 53.46 1j5n n ARG 5 Cb 0.50 -0.40 -0.02 0.00 -1.16 0.00 0.00 32.46 31.38 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1j5n s GLU 6 N -4.50 3.26 0.00 5.56 8.01 -1.26 -5.11 118.70 124.66 1j5n s GLU 6 Ca 0.54 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.63 1j5n s GLU 6 Cb -0.04 -2.83 0.00 0.00 -4.31 0.00 0.00 34.13 26.95 1j5n s GLU 6 CO 0.35 0.27 0.00 -2.30 0.01 0.00 0.00 175.26 173.60 1j5n n PRO 7 N -1.48 0.86 -4.51 0.39 -0.02 -1.26 -4.98 135.00 124.00 1j5n n PRO 7 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.09 1j5n n PRO 7 Cb 0.58 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.94 1j5n n PRO 7 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1j5n s LYS 8 N -0.77 3.19 0.00 -0.52 -2.85 -1.26 -5.09 119.74 112.44 1j5n s LYS 8 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 1j5n s LYS 8 Cb 0.00 -2.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 1j5n s LYS 8 CO 0.00 0.47 0.00 1.17 0.10 0.00 0.00 175.35 177.09 1j5n n LYS 9 N 2.82 0.00 0.00 1.78 3.00 -1.26 -5.11 118.16 119.39 1j5n n LYS 9 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1j5n n LYS 9 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1j5n n LYS 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1j5n n ARG 10 N -0.05 0.00 0.00 1.64 1.74 -1.26 -4.74 116.66 113.99 1j5n n ARG 10 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1j5n n ARG 10 Cb 0.00 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 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 -2.17 0.00 -1.96 0.55 -1.04 -1.26 -4.88 114.28 103.52 1j5n n THR 11 Ca 0.00 0.83 0.14 0.00 -2.04 0.00 0.00 64.05 62.98 1j5n n THR 11 Cb 0.00 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 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 -1.76 0.00 -2.02 12.58 -1.04 -1.26 -4.89 114.28 115.88 1j5n n THR 12 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1j5n n THR 12 Cb 0.00 -0.35 0.01 0.00 -1.82 0.00 0.00 70.33 68.17 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 -3.44 -0.66 0.00 -2.82 1.85 -1.26 -4.93 116.66 105.39 1j5n n ARG 13 Ca 0.01 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1j5n n ARG 13 Cb 0.47 -0.77 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 1j5n n ARG 13 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1j5n n LYS 14 N 0.18 0.00 0.00 2.89 4.76 -1.26 -5.11 118.16 119.61 1j5n n LYS 14 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1j5n n LYS 14 Cb 0.29 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1j5n n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1j5n n LYS 15 N -0.03 0.00 -0.86 1.97 4.81 -1.26 -5.17 118.16 117.62 1j5n n LYS 15 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1j5n n LYS 15 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1j5n n LYS 15 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1j5n n LYS 16 N 0.00 -1.47 -0.76 1.64 2.85 -1.26 -4.99 118.16 114.17 1j5n n LYS 16 Ca 0.00 1.05 0.00 0.00 -1.05 0.00 0.00 58.31 58.31 1j5n n LYS 16 Cb 0.00 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 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 -4.26 -4.84 0.34 -5.58 9.92 -1.26 -4.63 116.55 106.24 1j5n n ASP 17 Ca -0.01 0.57 -0.13 0.00 -0.53 0.00 0.00 54.79 54.69 1j5n n ASP 17 Cb 0.59 -1.62 -0.06 0.00 -0.64 0.00 0.00 41.12 39.38 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 1.03 -0.83 0.00 -0.24 0.13 -1.96 -3.34 132.00 126.79 1j5n h PRO 18 Ca 0.00 0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 65.00 1j5n h PRO 18 Cb 0.00 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1j5n h PRO 18 CO 0.00 -0.55 -1.76 0.09 -0.23 0.00 0.00 178.00 175.55 1j5n n ASN 19 N -4.46 0.50 -2.69 1.44 3.02 -1.26 -5.03 115.26 106.78 1j5n n ASN 19 Ca -0.11 0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.45 1j5n n ASN 19 Cb 0.34 0.69 0.02 0.00 -0.61 0.00 0.00 39.78 40.22 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 -2.46 -1.86 -0.17 5.41 0.00 -1.26 -4.82 120.51 115.36 1j5n n ALA 20 Ca -0.14 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1j5n n ALA 20 Cb 0.87 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 19.11 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 1.80 0.34 -1.42 0.00 0.11 -1.93 -3.47 132.00 127.42 1j5n h PRO 21 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1j5n h PRO 21 Cb 0.93 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1j5n h PRO 21 CO 0.12 0.23 0.00 1.63 -0.21 0.00 0.00 178.00 179.77 1j5n n LYS 22 N -5.01 0.00 0.00 1.05 5.02 -1.26 -4.98 118.16 112.98 1j5n n LYS 22 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1j5n n LYS 22 Cb 0.22 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.71 0.00 -4.67 1.97 1.85 -1.26 -4.82 116.66 109.01 1j5n n ARG 23 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 1j5n n ARG 23 Cb 0.29 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.62 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 -0.58 3.80 1.00 2.89 0.00 -1.26 -4.72 121.76 122.89 1j5n s ALA 24 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1j5n s ALA 24 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1j5n s ALA 24 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 175.76 176.97 1j5n n LEU 25 N -1.18 0.00 -4.27 0.00 4.32 -1.26 -5.02 117.00 109.59 1j5n n LEU 25 Ca -0.14 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.71 1j5n n LEU 25 Cb 0.67 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.37 1j5n n LEU 25 CO 0.42 -0.79 -0.39 -0.55 -1.22 0.00 0.00 177.39 174.86 1j5n s SER 26 N -1.54 1.78 0.66 -1.43 0.15 -1.26 -4.92 113.70 107.13 1j5n s SER 26 Ca 0.00 -1.06 0.44 0.00 0.70 0.00 0.00 55.95 56.02 1j5n s SER 26 Cb 0.00 -0.00 2.34 0.00 -1.71 0.00 0.00 66.02 66.65 1j5n s SER 26 CO 0.00 -0.38 2.34 0.00 1.20 0.00 0.00 173.24 176.40 1j5n h ALA 27 N 2.71 1.01 0.00 5.45 0.00 -1.88 0.42 119.26 126.97 1j5n h ALA 27 Ca -0.37 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1j5n h ALA 27 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1j5n h ALA 27 CO 0.64 0.00 -0.44 -0.92 0.00 0.00 0.00 179.25 178.53 1j5n h TYR 28 N 0.00 0.00 0.10 0.00 5.03 -1.95 -2.18 116.97 117.97 1j5n h TYR 28 Ca -0.00 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 1j5n h TYR 28 Cb 0.05 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.34 1j5n h TYR 28 CO 0.00 0.40 -0.67 0.52 -1.32 0.00 0.00 178.16 177.09 1j5n h MET 29 N 0.00 0.21 -0.30 1.82 0.00 -1.32 0.43 114.93 115.77 1j5n h MET 29 Ca -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 59.70 59.28 1j5n h MET 29 Cb 1.31 0.13 -0.01 0.00 0.00 0.00 0.00 31.60 33.04 1j5n h MET 29 CO 0.05 1.17 -0.01 0.74 0.00 0.00 0.00 176.91 178.86 1j5n h PHE 30 N -0.54 0.59 0.32 -0.22 0.04 -1.56 0.23 116.94 115.80 1j5n h PHE 30 Ca -0.13 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1j5n h PHE 30 Cb 1.48 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.49 1j5n h PHE 30 CO 0.21 0.68 -0.16 0.35 -0.60 0.00 0.00 178.31 178.79 1j5n h PHE 31 N 0.32 -0.40 -0.26 -0.55 3.57 -1.53 -2.49 116.94 115.61 1j5n h PHE 31 Ca 0.08 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1j5n h PHE 31 Cb 0.45 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1j5n h PHE 31 CO 0.04 -0.07 0.33 0.00 -2.23 0.00 0.00 178.31 176.37 1j5n h ALA 32 N -0.26 1.87 -0.04 2.41 0.00 -0.91 0.11 119.26 122.44 1j5n h ALA 32 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j5n h ALA 32 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j5n h ALA 32 CO 0.07 -0.46 -0.00 -0.91 0.00 0.00 0.00 179.25 177.95 1j5n h ASN 33 N 0.00 0.07 -0.31 0.00 2.35 -0.13 0.24 115.58 117.80 1j5n h ASN 33 Ca 0.12 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 1j5n h ASN 33 Cb 0.77 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1j5n h ASN 33 CO -0.00 0.39 0.15 -0.33 -1.65 0.00 0.00 177.43 175.99 1j5n h GLU 34 N -0.25 0.44 0.00 0.81 5.08 -0.43 -3.32 114.58 116.91 1j5n h GLU 34 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j5n h GLU 34 Cb 0.36 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1j5n h GLU 34 CO 0.00 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 1j5n n ASN 35 N -4.77 0.00 0.00 1.42 5.03 -0.28 -2.27 115.26 114.38 1j5n n ASN 35 Ca -0.02 0.69 0.00 0.00 0.87 0.00 0.00 54.58 56.12 1j5n n ASN 35 Cb 0.10 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.32 0.00 0.21 3.52 0.63 0.83 0.41 116.66 120.93 1j5n n ARG 36 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1j5n n ARG 36 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.47 0.00 6.15 3.32 -1.66 -1.78 116.42 121.99 1j5n h ASP 37 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1j5n h ASP 37 Cb 0.00 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1j5n h ASP 37 CO 0.00 -0.13 0.00 -0.38 -1.72 0.00 0.00 179.24 177.01 1j5n n ILE 38 N -5.22 0.00 -0.27 0.35 -0.00 1.36 0.28 119.36 115.86 1j5n n ILE 38 Ca -0.10 1.50 -0.08 0.00 -0.00 0.00 0.00 62.75 64.07 1j5n n ILE 38 Cb 0.29 -2.48 -0.07 0.00 -0.00 0.00 0.00 39.64 37.38 1j5n n ILE 38 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1j5n h VAL 39 N 0.00 0.00 0.00 1.39 2.07 -0.22 0.57 116.25 120.06 1j5n h VAL 39 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j5n h VAL 39 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1j5n h VAL 39 CO 0.00 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.42 1j5n h ARG 40 N -0.04 0.00 0.00 1.57 2.43 -1.39 -0.62 114.38 116.33 1j5n h ARG 40 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1j5n h ARG 40 Cb 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1j5n h ARG 40 CO -0.64 0.08 -0.24 0.77 -1.51 0.00 0.00 179.97 178.44 1j5n h SER 41 N 0.00 0.00 0.54 -3.80 0.02 0.46 0.36 113.55 111.13 1j5n h SER 41 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1j5n h SER 41 Cb 0.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1j5n h SER 41 CO 0.01 0.24 -1.50 -0.62 -1.14 0.00 0.00 176.83 173.82 1j5n n GLU 42 N -3.62 0.63 -3.10 3.45 1.02 -0.25 -4.48 120.64 114.29 1j5n n GLU 42 Ca -0.01 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1j5n n GLU 42 Cb 0.37 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.56 1.83 0.08 1.62 3.02 -0.55 -4.92 115.26 113.78 1j5n n ASN 43 Ca -0.05 -3.18 0.05 0.00 -0.03 0.00 0.00 54.58 51.37 1j5n n ASN 43 Cb 0.64 -0.60 0.29 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.13 0.07 -0.04 3.52 -0.02 0.12 -2.32 135.00 136.46 1j5n n PRO 44 Ca 0.26 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1j5n n PRO 44 Cb 0.59 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 1j5n n PRO 44 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j5n h ASP 45 N 0.00 -0.04 -1.95 2.55 3.32 -1.91 -3.46 116.42 114.93 1j5n h ASP 45 Ca 0.00 -0.55 -0.64 0.00 0.02 0.00 0.00 57.03 55.86 1j5n h ASP 45 Cb 0.06 0.01 0.10 0.00 0.22 0.00 0.00 39.33 39.72 1j5n h ASP 45 CO 0.00 0.71 0.05 2.30 -1.72 0.00 0.00 179.24 180.58 1j5n n ILE 46 N -4.73 1.52 -1.70 0.35 -5.35 -0.98 -4.99 119.36 103.48 1j5n n ILE 46 Ca -0.06 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1j5n n ILE 46 Cb 0.28 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 0.69 0.00 -0.04 7.28 -1.04 -1.26 -4.61 114.28 115.30 1j5n n THR 47 Ca 0.13 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.24 1j5n n THR 47 Cb 0.27 -1.58 0.49 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.49 0.43 0.00 -1.42 3.57 -1.97 -0.57 116.94 116.48 1j5n h PHE 48 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1j5n h PHE 48 Cb 0.00 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1j5n h PHE 48 CO 0.00 0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.72 1j5n n GLY 49 N -1.51 -1.11 0.72 2.40 0.00 -1.26 -1.27 105.19 103.16 1j5n n GLY 49 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.33 0.18 -0.25 1.61 0.00 -0.55 -4.31 117.38 112.74 1j5n n GLN 50 Ca 0.10 0.07 0.05 0.00 0.00 0.00 0.00 57.00 57.22 1j5n n GLN 50 Cb 0.20 -0.82 0.29 0.00 0.00 0.00 0.00 30.24 29.91 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 -0.35 1.05 0.00 -0.39 3.04 -1.29 -0.18 116.25 118.13 1j5n h VAL 51 Ca -0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1j5n h VAL 51 Cb 0.36 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1j5n h VAL 51 CO -0.00 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 1j5n n GLY 52 N -1.42 -0.91 0.29 3.17 0.00 -0.40 -1.26 105.19 104.67 1j5n n GLY 52 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1j5n n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j5n h LYS 53 N 0.00 0.27 -0.85 1.61 1.57 -1.64 0.54 116.57 118.06 1j5n h LYS 53 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1j5n h LYS 53 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1j5n h LYS 53 CO 0.00 0.18 0.55 0.87 -0.57 0.00 0.00 179.45 180.48 1j5n h LYS 54 N 0.28 1.13 -0.01 3.15 1.79 -1.15 -2.51 116.57 119.25 1j5n h LYS 54 Ca 0.49 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.91 1j5n h LYS 54 Cb 0.91 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.27 1j5n h LYS 54 CO -0.56 0.76 -0.20 1.25 -1.08 0.00 0.00 179.45 179.62 1j5n h LEU 55 N 1.16 -0.58 0.27 2.94 6.46 0.15 -1.31 115.31 124.39 1j5n h LEU 55 Ca 0.31 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1j5n h LEU 55 Cb -0.11 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1j5n h LEU 55 CO -0.06 -0.26 -0.27 1.23 -0.62 0.00 0.00 178.44 178.45 1j5n h GLY 56 N -0.32 -0.61 -0.01 3.75 0.00 -1.08 0.44 103.07 105.24 1j5n h GLY 56 Ca 0.06 0.32 0.15 0.00 0.00 0.00 0.00 47.33 47.86 1j5n h GLY 56 CO -0.19 -0.25 0.18 1.05 0.00 0.00 0.00 176.54 177.33 1j5n h GLU 57 N -0.58 0.27 0.00 4.80 4.11 -1.31 0.35 114.58 122.22 1j5n h GLU 57 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 1j5n h GLU 57 Cb 0.53 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1j5n h GLU 57 CO -0.06 0.18 -0.41 0.87 0.07 0.00 0.00 179.01 179.66 1j5n h LYS 58 N 0.28 0.00 0.16 1.06 1.79 -0.87 -0.70 116.57 118.29 1j5n h LYS 58 Ca 0.40 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.88 1j5n h LYS 58 Cb 0.66 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 1j5n h LYS 58 CO -0.48 0.41 -0.24 2.35 -1.08 0.00 0.00 179.45 180.40 1j5n h TRP 59 N 0.00 -0.64 0.00 -1.35 -0.00 0.41 -2.05 115.95 112.31 1j5n h TRP 59 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j5n h TRP 59 Cb 0.90 0.26 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 1j5n h TRP 59 CO 0.00 -0.35 -0.32 0.87 -0.00 0.00 0.00 178.44 178.65 1j5n h LYS 60 N -0.47 0.00 -0.46 2.65 1.57 -1.46 -3.30 116.57 115.11 1j5n h LYS 60 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1j5n h LYS 60 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1j5n h LYS 60 CO -0.11 0.00 0.07 0.00 -0.57 0.00 0.00 179.45 178.84 1j5n h ALA 61 N 2.28 1.27 -2.11 3.86 0.00 -0.56 -3.31 119.26 120.69 1j5n h ALA 61 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1j5n h ALA 61 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j5n h ALA 61 CO 0.00 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1j5n n LEU 62 N -4.27 0.00 0.00 0.00 4.77 -0.82 -5.04 117.00 111.64 1j5n n LEU 62 Ca 0.03 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1j5n n LEU 62 Cb 0.24 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1j5n n LEU 62 CO 0.40 -0.15 0.00 0.41 -1.33 0.00 0.00 177.39 176.72 1j5n n THR 63 N -1.04 0.00 -0.33 -5.08 -1.04 -1.25 -4.85 114.28 100.70 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 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.03 -0.30 -2.82 0.11 -1.93 0.59 132.00 127.68 1j5n h PRO 64 Ca 0.00 -0.00 0.03 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 0.02 0.13 1.49 -0.21 0.00 0.00 178.00 179.44 1j5n h GLU 65 N 0.04 0.28 -0.07 1.05 4.57 -2.00 0.37 114.58 118.82 1j5n h GLU 65 Ca 0.61 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.79 1j5n h GLU 65 Cb 1.30 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1j5n h GLU 65 CO -0.87 0.18 0.07 0.93 -1.18 0.00 0.00 179.01 178.15 1j5n h GLU 66 N 0.29 0.00 0.00 1.92 4.39 -0.20 0.49 114.58 121.47 1j5n h GLU 66 Ca 0.13 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.70 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 -0.71 0.87 -1.16 0.00 0.00 179.01 177.91 1j5n h LYS 67 N 0.00 0.00 -0.58 2.33 1.57 0.39 -3.37 116.57 116.92 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 0.18 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 1j5n h LYS 67 CO -0.00 0.57 -0.15 1.04 -0.57 0.00 0.00 179.45 180.34 1j5n n GLN 68 N -3.21 -0.06 0.12 3.15 6.02 0.16 0.50 117.38 124.07 1j5n n GLN 68 Ca 0.00 0.90 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1j5n n GLN 68 Cb 0.79 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.15 132.00 128.54 1j5n h PRO 69 Ca 0.27 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.42 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 -0.09 1.88 -0.21 0.00 0.00 178.00 178.61 1j5n h TYR 70 N -0.59 0.00 -0.98 0.65 -1.99 -0.43 -1.76 116.97 111.87 1j5n h TYR 70 Ca 0.02 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.96 1j5n h TYR 70 Cb 0.62 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.16 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 -0.93 0.00 -0.71 4.88 4.81 -0.08 3.29 114.58 125.85 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 0.09 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1j5n h GLU 71 CO 0.00 0.00 0.41 0.00 -0.73 0.00 0.00 179.01 178.69 1j5n h ALA 72 N 1.98 0.90 0.00 2.92 0.00 -1.11 0.41 119.26 124.36 1j5n h ALA 72 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j5n h ALA 72 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j5n h ALA 72 CO -1.00 0.40 0.01 -0.22 0.00 0.00 0.00 179.25 178.44 1j5n h LYS 73 N 0.97 0.00 -0.00 0.00 3.64 0.63 -0.70 116.57 121.11 1j5n h LYS 73 Ca 0.25 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1j5n h LYS 73 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1j5n h LYS 73 CO -0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.07 1j5n h ALA 74 N 1.97 0.01 -0.28 5.00 0.00 0.62 -1.29 119.26 125.30 1j5n h ALA 74 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1j5n h ALA 74 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j5n h ALA 74 CO 0.00 -0.06 0.18 1.96 0.00 0.00 0.00 179.25 181.34 1j5n h GLN 75 N -0.72 0.31 -0.22 0.00 4.20 -0.75 0.40 115.11 118.34 1j5n h GLN 75 Ca -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1j5n h GLN 75 Cb 0.84 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1j5n h GLN 75 CO 0.01 0.21 0.07 0.00 -0.67 0.00 0.00 178.83 178.45 1j5n h ALA 76 N 1.83 0.28 0.00 3.87 0.00 -1.10 -2.07 119.26 122.07 1j5n h ALA 76 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j5n h ALA 76 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j5n h ALA 76 CO -0.02 -0.10 -0.05 0.22 0.00 0.00 0.00 179.25 179.30 1j5n h ASP 77 N 0.18 0.00 -0.07 0.00 1.82 -0.13 -2.43 116.42 115.78 1j5n h ASP 77 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1j5n h ASP 77 Cb 0.23 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 1j5n h ASP 77 CO -0.00 0.05 0.02 0.50 -1.61 0.00 0.00 179.24 178.20 1j5n h LYS 78 N 0.00 0.11 -0.66 0.28 3.64 0.41 -2.44 116.57 117.91 1j5n h LYS 78 Ca -0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1j5n h LYS 78 Cb 0.63 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1j5n h LYS 78 CO 0.01 0.27 0.09 -0.22 -2.27 0.00 0.00 179.45 177.32 1j5n h LYS 79 N -0.07 1.11 -0.74 1.90 1.63 -1.31 -0.35 116.57 118.74 1j5n h LYS 79 Ca 0.02 -0.31 0.07 0.00 -0.85 0.00 0.00 60.65 59.59 1j5n h LYS 79 Cb 0.20 -0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 31.60 1j5n h LYS 79 CO -0.00 1.03 -0.57 -0.09 -3.45 0.00 0.00 179.45 176.37 1j5n h ARG 80 N 1.03 -0.17 0.00 1.90 9.65 -1.14 0.51 114.38 126.16 1j5n h ARG 80 Ca 0.20 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1j5n h ARG 80 Cb 0.47 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1j5n h ARG 80 CO 0.02 -0.11 -0.43 -0.92 2.80 0.00 0.00 179.97 181.33 1j5n h TYR 81 N -0.17 0.00 -0.19 2.20 5.03 -1.35 -2.68 116.97 119.80 1j5n h TYR 81 Ca 0.13 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.49 1j5n h TYR 81 Cb 0.49 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1j5n h TYR 81 CO -0.89 0.43 0.25 1.49 -1.32 0.00 0.00 178.16 178.11 1j5n h GLU 82 N 0.00 0.00 0.04 1.82 4.81 0.18 0.49 114.58 121.91 1j5n h GLU 82 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1j5n h GLU 82 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1j5n h GLU 82 CO 0.06 0.00 -1.01 1.03 -0.73 0.00 0.00 179.01 178.36 1j5n h SER 83 N 0.00 0.39 0.16 1.04 0.87 -0.79 -1.57 113.55 113.65 1j5n h SER 83 Ca 0.09 -0.35 -0.10 0.00 -1.23 0.00 0.00 61.79 60.20 1j5n h SER 83 Cb 0.58 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1j5n h SER 83 CO -0.00 1.18 -0.37 -0.08 -0.53 0.00 0.00 176.83 177.03 1j5n h GLU 84 N 0.14 0.30 0.02 2.24 4.57 -0.18 -1.79 114.58 119.88 1j5n h GLU 84 Ca -0.08 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 57.86 1j5n h GLU 84 Cb 1.68 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.27 1j5n h GLU 84 CO 0.16 0.63 -0.43 1.57 -1.18 0.00 0.00 179.01 179.77 1j5n h LYS 85 N 0.25 0.25 -0.81 1.92 2.10 -1.18 0.44 116.57 119.55 1j5n h LYS 85 Ca 0.03 -0.30 0.17 0.00 -2.00 0.00 0.00 60.65 58.55 1j5n h LYS 85 Cb 0.78 0.09 -0.06 0.00 -0.90 0.00 0.00 32.23 32.14 1j5n h LYS 85 CO 0.06 1.04 0.54 1.05 -2.00 0.00 0.00 179.45 180.14 1j5n h GLU 86 N -0.41 0.38 0.00 0.07 4.11 -1.23 0.60 114.58 118.10 1j5n h GLU 86 Ca -0.06 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.21 1j5n h GLU 86 Cb 1.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1j5n h GLU 86 CO 0.08 0.25 -1.07 1.25 0.07 0.00 0.00 179.01 179.59 1j5n h LEU 87 N 0.39 0.00 -0.98 3.06 6.46 -1.30 -1.79 115.31 121.14 1j5n h LEU 87 Ca 0.41 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 58.38 1j5n h LEU 87 Cb 1.01 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.82 1j5n h LEU 87 CO -0.13 0.50 0.57 0.22 -0.62 0.00 0.00 178.44 178.98 1j5n h TYR 88 N 0.00 0.99 0.01 1.25 5.03 0.50 0.61 116.97 125.36 1j5n h TYR 88 Ca -0.10 0.04 -0.33 0.00 2.58 0.00 0.00 58.73 60.92 1j5n h TYR 88 Cb 1.47 -0.29 -0.06 0.00 1.55 0.00 0.00 36.73 39.41 1j5n h TYR 88 CO 0.00 0.13 -1.97 0.27 -1.32 0.00 0.00 178.16 175.26 1j5n n ASN 89 N -4.85 0.72 0.02 -2.11 0.23 -0.83 -0.77 115.26 107.66 1j5n n ASN 89 Ca 0.24 0.25 0.04 0.00 -0.53 0.00 0.00 54.58 54.59 1j5n n ASN 89 Cb 0.65 0.21 0.20 0.00 -2.08 0.00 0.00 39.78 38.76 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 -2.67 1.32 0.00 -2.53 0.00 -0.28 -2.28 120.51 114.07 1j5n n ALA 90 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1j5n n ALA 90 Cb 1.08 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.60 0.00 -0.26 0.00 5.66 0.20 -4.74 114.28 113.53 1j5n n THR 91 Ca 0.01 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.08 1j5n n THR 91 Cb 0.09 -0.51 0.19 0.00 -1.55 0.00 0.00 70.33 68.55 1j5n n THR 91 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1j5n h LEU 92 N 0.00 -0.21 0.00 1.09 7.12 -0.89 -3.51 115.31 118.91 1j5n h LEU 92 Ca 0.00 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1j5n h LEU 92 Cb 0.83 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1j5n h LEU 92 CO 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 178.44 178.16