#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3u s ASN 3489N 0.00 6.27 -0.00 4.52 2.47 -1.26 -4.96 114.94 121.97 3n3u s ASN 3489Ca 0.00 0.31 0.12 0.00 0.42 0.00 0.00 52.86 53.70 3n3u s ASN 3489Cb 0.00 -2.16 -0.14 0.00 -1.45 0.00 0.00 41.25 37.51 3n3u s ASN 3489CO 0.00 0.03 0.46 -1.22 -3.72 0.00 0.00 177.10 172.65 3n3u n TYR 3490N 4.21 0.00 -0.31 0.43 4.02 -1.26 -4.74 117.16 119.51 3n3u n TYR 3490Ca -0.12 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.92 3n3u n TYR 3490Cb 0.52 -0.04 0.32 0.00 -0.02 0.00 0.00 39.34 40.11 3n3u n TYR 3490CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3n3u h GLN 3491N 0.00 0.20 -0.01 -0.72 4.20 -2.02 -1.08 115.11 115.68 3n3u h GLN 3491Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3n3u h GLN 3491Cb 0.32 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3n3u h GLN 3491CO 0.00 0.13 -0.18 -0.25 -0.67 0.00 0.00 178.83 177.86 3n3u n ASP 3492N -5.22 1.07 -4.76 1.46 10.43 -1.26 -4.83 116.55 113.43 3n3u n ASP 3492Ca 0.23 -0.99 -0.39 0.00 2.57 0.00 0.00 54.79 56.21 3n3u n ASP 3492Cb 0.74 0.08 -0.05 0.00 1.84 0.00 0.00 41.12 43.73 3n3u n ASP 3492CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3n3u s LEU 3493N -2.38 4.46 0.29 0.64 1.43 -0.41 -5.02 118.68 117.69 3n3u s LEU 3493Ca 0.28 2.04 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 3n3u s LEU 3493Cb 0.20 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 3n3u s LEU 3493CO 0.47 -0.10 1.12 -0.70 0.23 0.00 0.00 176.35 177.37 3n3u s GLU 3494N -1.68 4.60 -0.17 1.70 2.12 -1.26 -5.03 118.70 118.98 3n3u s GLU 3494Ca 0.47 1.85 -0.08 0.00 0.36 0.00 0.00 54.97 57.57 3n3u s GLU 3494Cb -0.26 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.03 3n3u s GLU 3494CO 0.32 0.16 0.39 0.34 -0.54 0.00 0.00 175.26 175.94 3n3u s ASP 3495N -0.84 -0.34 0.00 -1.70 2.15 -1.26 -5.00 116.67 109.67 3n3u s ASP 3495Ca 0.45 0.87 0.00 0.00 0.43 0.00 0.00 52.55 54.30 3n3u s ASP 3495Cb -0.33 0.92 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 3n3u s ASP 3495CO 0.42 -0.21 0.46 -3.20 -0.17 0.00 0.00 175.17 172.48 3n3u n ASN 3496N 4.71 0.90 -0.37 -0.34 4.05 -1.26 -4.61 115.26 118.34 3n3u n ASN 3496Ca -0.17 -1.10 0.14 0.00 0.45 0.00 0.00 54.58 53.89 3n3u n ASN 3496Cb 0.53 0.00 0.47 0.00 1.23 0.00 0.00 39.78 42.01 3n3u n ASN 3496CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3n3u n LEU 3497N -0.05 1.26 -3.44 1.20 4.77 -1.26 -4.91 117.00 114.58 3n3u n LEU 3497Ca 0.00 -0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 3n3u n LEU 3497Cb 0.08 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3n3u n LEU 3497CO 0.00 0.22 0.06 -3.20 -1.33 0.00 0.00 177.39 173.14 3n3u n ASN 3498N -0.20 -5.29 0.29 -1.43 5.15 -1.26 -1.07 115.26 111.45 3n3u n ASN 3498Ca 0.16 -0.48 0.14 0.00 -0.60 0.00 0.00 54.58 53.80 3n3u n ASN 3498Cb 0.35 -4.25 0.86 0.00 -0.53 0.00 0.00 39.78 36.21 3n3u n ASN 3498CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3n3u h LEU 3499N -1.71 0.00 -0.25 1.20 5.85 -1.92 -1.47 115.31 117.02 3n3u h LEU 3499Ca -0.53 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 57.99 3n3u h LEU 3499Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3n3u h LEU 3499CO 0.59 0.02 -0.72 0.11 -0.34 0.00 0.00 178.44 178.10 3n3u h LYS 3500N 0.00 0.71 -0.17 1.25 1.57 -1.97 0.25 116.57 118.21 3n3u h LYS 3500Ca -0.00 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 3n3u h LYS 3500Cb 0.06 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3n3u h LYS 3500CO 0.00 1.17 0.08 0.78 -0.57 0.00 0.00 179.45 180.91 3n3u h GLY 3501N 0.76 0.27 0.30 3.86 0.00 -1.72 -1.37 103.07 105.17 3n3u h GLY 3501Ca -0.04 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.22 3n3u h GLY 3501CO 0.15 0.13 -0.11 -2.00 0.00 0.00 0.00 176.54 174.71 3n3u h LEU 3502N 0.14 -0.40 -1.19 3.11 5.85 -1.17 0.75 115.31 122.39 3n3u h LEU 3502Ca 0.06 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3n3u h LEU 3502Cb 0.15 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3n3u h LEU 3502CO -0.01 -0.15 0.53 0.40 -0.34 0.00 0.00 178.44 178.88 3n3u h ILE 3503N -0.05 1.21 -0.38 4.05 2.04 -0.84 -1.23 117.51 122.31 3n3u h ILE 3503Ca 0.16 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3n3u h ILE 3503Cb 0.29 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3n3u h ILE 3503CO -0.35 0.21 0.13 -1.28 0.00 0.00 0.00 178.15 176.85 3n3u h SER 3504N 1.10 0.54 -0.36 1.72 0.87 -0.23 0.60 113.55 117.78 3n3u h SER 3504Ca 0.30 -0.19 0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3n3u h SER 3504Cb -0.12 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 61.63 3n3u h SER 3504CO -0.06 0.58 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.61 3n3u h LEU 3505N 0.46 -0.49 -0.68 2.23 4.07 -0.19 -1.72 115.31 118.99 3n3u h LEU 3505Ca 0.12 0.13 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 3n3u h LEU 3505Cb 0.23 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3n3u h LEU 3505CO -0.01 -0.18 -0.02 -0.33 -1.08 0.00 0.00 178.44 176.83 3n3u h GLU 3506N -0.07 1.01 -0.49 1.13 4.39 -0.98 -1.79 114.58 117.77 3n3u h GLU 3506Ca 0.18 -0.32 0.05 0.00 0.34 0.00 0.00 59.36 59.62 3n3u h GLU 3506Cb 0.35 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3n3u h GLU 3506CO -0.41 1.00 0.21 -0.44 -1.16 0.00 0.00 179.01 178.20 3n3u h ASP 3507N 0.92 0.27 -0.25 1.42 3.32 -0.40 0.21 116.42 121.90 3n3u h ASP 3507Ca 0.16 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3n3u h ASP 3507Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3n3u h ASP 3507CO 0.03 0.19 -0.07 0.44 -1.72 0.00 0.00 179.24 178.11 3n3u h ASP 3508N 0.41 0.50 -0.11 6.45 3.45 -1.09 -0.25 116.42 125.79 3n3u h ASP 3508Ca 0.23 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 3n3u h ASP 3508Cb 0.19 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3n3u h ASP 3508CO -0.20 0.76 0.06 -0.09 -1.57 0.00 0.00 179.24 178.20 3n3u h ARG 3509N 0.24 0.14 -0.98 3.56 2.43 -1.12 -2.44 114.38 116.21 3n3u h ARG 3509Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3n3u h ARG 3509Cb 0.54 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 3n3u h ARG 3509CO 0.03 0.13 0.63 -0.97 -1.51 0.00 0.00 179.97 178.28 3n3u h ASN 3510N 0.11 1.15 0.47 -3.80 -1.24 -0.52 -1.74 115.58 110.02 3n3u h ASN 3510Ca 0.04 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3n3u h ASN 3510Cb 0.03 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 3n3u h ASN 3510CO -0.01 0.85 -0.17 0.00 -1.29 0.00 0.00 177.43 176.82 3n3u h ALA 3511N 1.35 1.25 -0.58 1.57 0.00 -0.83 -2.47 119.26 119.55 3n3u h ALA 3511Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3n3u h ALA 3511Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n3u h ALA 3511CO -0.07 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.48 3n3u n ASN 3512N -3.65 3.55 -0.18 0.00 3.02 -0.79 -4.60 115.26 112.62 3n3u n ASN 3512Ca -0.01 -1.99 -0.08 0.00 -0.03 0.00 0.00 54.58 52.46 3n3u n ASN 3512Cb 0.29 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 3n3u n ASN 3512CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3n3u h PHE 3513N 3.46 0.81 -0.53 3.10 3.57 -0.84 -0.68 116.94 125.83 3n3u h PHE 3513Ca 0.00 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3n3u h PHE 3513Cb 0.89 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3n3u h PHE 3513CO 0.39 0.70 0.34 1.49 -2.23 0.00 0.00 178.31 179.00 3n3u h GLU 3514N 0.69 0.68 -0.27 1.11 4.81 -1.81 0.24 114.58 120.02 3n3u h GLU 3514Ca 0.16 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3n3u h GLU 3514Cb 0.26 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3n3u h GLU 3514CO -0.01 0.45 -0.27 1.03 -0.73 0.00 0.00 179.01 179.48 3n3u h SER 3515N 0.70 0.70 1.28 1.04 0.87 -1.83 0.18 113.55 116.49 3n3u h SER 3515Ca 0.20 -0.47 -0.15 0.00 -1.23 0.00 0.00 61.79 60.14 3n3u h SER 3515Cb -0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3n3u h SER 3515CO -0.06 1.03 -0.72 0.78 -0.53 0.00 0.00 176.83 177.33 3n3u h ASN 3516N 0.39 0.00 0.00 6.23 2.35 -0.98 -3.32 115.58 120.25 3n3u h ASN 3516Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3n3u h ASN 3516Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3n3u h ASN 3516CO 0.07 0.69 -0.01 0.52 -1.65 0.00 0.00 177.43 177.04 3n3u n VAL 3517N -3.26 0.22 -0.07 2.81 0.31 0.06 -4.48 118.33 113.93 3n3u n VAL 3517Ca 0.01 0.10 0.10 0.00 -0.01 0.00 0.00 64.34 64.54 3n3u n VAL 3517Cb 0.82 -1.15 0.48 0.00 -0.91 0.00 0.00 33.84 33.08 3n3u n VAL 3517CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n3u h LEU 3518N -0.01 0.39 -2.58 7.52 3.38 -1.46 -1.32 115.31 121.23 3n3u h LEU 3518Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n3u h LEU 3518Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3n3u h LEU 3518CO 0.00 0.25 0.00 0.29 0.09 0.00 0.00 178.44 179.07 3n3u n LYS 3519N -4.47 2.54 -2.30 1.13 5.02 0.62 -4.81 118.16 115.88 3n3u n LYS 3519Ca 0.09 -2.26 -0.42 0.00 -2.02 0.00 0.00 58.31 53.70 3n3u n LYS 3519Cb 0.31 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3n3u n LYS 3519CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3n3u s ASN 3520N -1.12 6.92 0.30 4.39 3.84 -0.50 -4.93 114.94 123.85 3n3u s ASN 3520Ca 0.35 2.03 0.09 0.00 0.21 0.00 0.00 52.86 55.54 3n3u s ASN 3520Cb 0.19 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.81 3n3u s ASN 3520CO 0.26 -0.66 1.70 -0.08 -2.79 0.00 0.00 177.10 175.52 3n3u h GLU 3521N 7.61 0.12 -0.50 0.43 4.57 -1.92 -0.94 114.58 123.94 3n3u h GLU 3521Ca -0.37 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.63 3n3u h GLU 3521Cb 1.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 3n3u h GLU 3521CO 0.89 0.57 -0.14 0.87 -1.18 0.00 0.00 179.01 180.02 3n3u h LYS 3522N 0.10 0.96 -0.12 1.92 1.57 -1.95 0.58 116.57 119.62 3n3u h LYS 3522Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3n3u h LYS 3522Cb 0.88 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3n3u h LYS 3522CO 0.07 1.03 0.08 0.35 -0.57 0.00 0.00 179.45 180.40 3n3u h PHE 3523N 0.85 0.16 -0.43 -1.35 3.57 -1.76 -2.01 116.94 115.96 3n3u h PHE 3523Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3n3u h PHE 3523Cb 0.69 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3n3u h PHE 3523CO 0.04 0.12 0.12 -0.07 -2.23 0.00 0.00 178.31 176.30 3n3u h LEU 3524N 0.15 0.65 -0.52 0.59 3.38 -0.99 -1.05 115.31 117.51 3n3u h LEU 3524Ca 0.05 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3n3u h LEU 3524Cb 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3n3u h LEU 3524CO -0.01 0.70 -0.25 0.44 0.09 0.00 0.00 178.44 179.42 3n3u h ASP 3525N 0.57 0.97 -0.58 -0.43 3.32 -0.88 0.08 116.42 119.46 3n3u h ASP 3525Ca 0.14 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3n3u h ASP 3525Cb 0.30 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3n3u h ASP 3525CO -0.00 1.16 0.33 -0.08 -1.72 0.00 0.00 179.24 178.93 3n3u h GLU 3526N 0.81 0.80 -0.93 3.56 4.81 -1.29 -0.22 114.58 122.11 3n3u h GLU 3526Ca 0.10 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3n3u h GLU 3526Cb 0.81 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3n3u h GLU 3526CO 0.07 0.59 0.61 0.00 -0.73 0.00 0.00 179.01 179.55 3n3u h ALA 3527N 1.16 1.18 -0.30 2.92 0.00 -0.76 0.17 119.26 123.63 3n3u h ALA 3527Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3n3u h ALA 3527Cb 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3n3u h ALA 3527CO -0.04 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 3n3u h ARG 3528N 1.26 0.53 -0.51 0.00 3.08 -0.67 -1.23 114.38 116.84 3n3u h ARG 3528Ca 0.34 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3n3u h ARG 3528Cb -0.13 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3n3u h ARG 3528CO -0.07 0.69 0.33 1.49 -1.07 0.00 0.00 179.97 181.34 3n3u h GLU 3529N 0.32 0.68 -0.48 0.04 4.81 -0.55 -1.34 114.58 118.05 3n3u h GLU 3529Ca 0.08 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3n3u h GLU 3529Cb 0.46 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3n3u h GLU 3529CO 0.02 0.46 0.09 0.82 -0.73 0.00 0.00 179.01 179.67 3n3u h ILE 3530N 0.69 1.24 -0.54 2.32 2.04 -0.59 -2.97 117.51 119.69 3n3u h ILE 3530Ca 0.19 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3n3u h ILE 3530Cb -0.06 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3n3u h ILE 3530CO -0.04 0.32 0.32 0.28 0.00 0.00 0.00 178.15 179.03 3n3u h SER 3531N 0.66 0.66 0.07 1.72 0.02 -1.04 -2.79 113.55 112.85 3n3u h SER 3531Ca 0.15 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3n3u h SER 3531Cb 0.37 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3n3u h SER 3531CO 0.01 0.53 -0.01 0.11 -1.14 0.00 0.00 176.83 176.33 3n3u h LYS 3532N 0.73 0.00 -0.42 3.45 1.57 -1.09 -2.81 116.57 118.00 3n3u h LYS 3532Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3n3u h LYS 3532Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3n3u h LYS 3532CO -0.04 0.01 0.24 0.87 -0.57 0.00 0.00 179.45 179.97 3n3u h LYS 3533N 0.00 0.58 0.39 3.15 1.57 -1.40 -3.19 116.57 117.69 3n3u h LYS 3533Ca -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3n3u h LYS 3533Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3n3u h LYS 3533CO 0.00 0.46 -0.19 0.77 -0.57 0.00 0.00 179.45 179.92 3n3u h SER 3534N 0.55 -0.45 -3.30 0.86 0.02 -1.65 -3.45 113.55 106.14 3n3u h SER 3534Ca 0.15 -0.10 -0.57 0.00 -0.84 0.00 0.00 61.79 60.43 3n3u h SER 3534Cb 0.04 0.12 0.18 0.00 0.14 0.00 0.00 62.40 62.87 3n3u h SER 3534CO -0.03 -0.14 -0.21 -0.38 -1.14 0.00 0.00 176.83 174.94 3n3u n ILE 3535N -5.22 2.55 -1.05 3.27 5.41 -1.20 -4.94 119.36 118.17 3n3u n ILE 3535Ca -0.10 -0.45 -0.35 0.00 1.00 0.00 0.00 62.75 62.84 3n3u n ILE 3535Cb 0.28 -0.86 0.07 0.00 -0.71 0.00 0.00 39.64 38.41 3n3u n ILE 3535CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3n3u n PRO 3536N -0.76 0.01 -1.03 0.38 -0.02 -1.26 -4.86 135.00 127.47 3n3u n PRO 3536Ca 0.12 0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3n3u n PRO 3536Cb 0.49 -1.55 -0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3n3u n PRO 3536CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3n3u n GLU 3537N -0.03 -0.37 0.00 -0.52 1.02 -1.26 -3.30 120.64 116.17 3n3u n GLU 3537Ca 0.06 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3n3u n GLU 3537Cb 0.52 -3.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.31 3n3u n GLU 3537CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3n3u n ALA 3538N 1.02 0.00 0.23 0.62 0.00 -1.26 -4.98 120.51 116.14 3n3u n ALA 3538Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 3n3u n ALA 3538Cb 0.11 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.95 3n3u n ALA 3538CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3n3u h THR 3539N 0.00 0.15 0.00 0.00 2.02 -1.93 -3.31 112.91 109.85 3n3u h THR 3539Ca 0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3n3u h THR 3539Cb 0.00 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3n3u h THR 3539CO 0.00 0.07 0.00 0.52 0.37 0.00 0.00 175.52 176.48 3n3u n VAL 3540N -3.15 0.00 -0.34 3.16 0.31 -1.21 -0.54 118.33 116.57 3n3u n VAL 3540Ca 0.02 1.37 0.20 0.00 -0.01 0.00 0.00 64.34 65.93 3n3u n VAL 3540Cb 0.45 -2.37 0.45 0.00 -0.91 0.00 0.00 33.84 31.46 3n3u n VAL 3540CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3n3u h LYS 3541N 0.00 0.47 -0.19 5.55 1.57 -1.92 0.18 116.57 122.23 3n3u h LYS 3541Ca 0.00 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3n3u h LYS 3541Cb 0.00 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 3n3u h LYS 3541CO 0.00 0.31 -0.28 0.37 -0.57 0.00 0.00 179.45 179.28 3n3u h GLN 3542N 0.48 -0.30 -0.01 3.15 4.15 -1.59 -2.25 115.11 118.74 3n3u h GLN 3542Ca 0.63 0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.07 3n3u h GLN 3542Cb 1.39 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.15 3n3u h GLN 3542CO -0.40 -0.20 -0.07 -1.33 -1.93 0.00 0.00 178.83 174.90 3n3u n MET 3543N -5.39 1.13 -0.03 1.69 2.81 0.31 -3.89 117.12 113.75 3n3u n MET 3543Ca -0.02 -0.50 0.22 0.00 -1.81 0.00 0.00 57.70 55.59 3n3u n MET 3543Cb 0.31 -1.49 0.71 0.00 -0.71 0.00 0.00 33.22 32.03 3n3u n MET 3543CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3n3u h SER 3544N 1.22 0.00 0.78 7.83 0.87 -0.14 0.31 113.55 124.42 3n3u h SER 3544Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3n3u h SER 3544Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3n3u h SER 3544CO 0.00 0.00 -0.61 1.41 -0.53 0.00 0.00 176.83 177.10 3n3u n HIS 3545N -4.28 0.43 -2.06 2.24 8.25 -1.25 -4.83 115.22 113.72 3n3u n HIS 3545Ca 0.12 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 3n3u n HIS 3545Cb 0.69 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 3n3u n HIS 3545CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3n3u s LEU 3546N -3.96 4.31 0.44 2.41 1.43 0.10 -4.89 118.68 118.52 3n3u s LEU 3546Ca 0.07 2.20 0.18 0.00 -1.03 0.00 0.00 54.13 55.55 3n3u s LEU 3546Cb 0.14 -3.54 1.12 0.00 0.03 0.00 0.00 46.19 43.95 3n3u s LEU 3546CO 0.72 -0.88 1.91 -0.65 0.23 0.00 0.00 176.35 177.67 3n3u h PRO 3547N 9.11 0.33 0.00 1.29 0.11 -1.88 -1.74 132.00 139.23 3n3u h PRO 3547Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3n3u h PRO 3547Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3n3u h PRO 3547CO 0.95 0.22 -0.28 0.39 -0.21 0.00 0.00 178.00 179.07 3n3u n GLU 3548N -4.46 0.21 -0.11 1.05 4.71 -1.26 -4.47 120.64 116.32 3n3u n GLU 3548Ca 0.15 0.12 -0.05 0.00 -0.01 0.00 0.00 57.16 57.37 3n3u n GLU 3548Cb 0.61 -1.69 0.02 0.00 -1.01 0.00 0.00 31.44 29.37 3n3u n GLU 3548CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3n3u h PHE 3549N 0.00 -0.00 -0.12 -0.32 3.57 -1.58 1.00 116.94 119.49 3n3u h PHE 3549Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3n3u h PHE 3549Cb 0.68 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3n3u h PHE 3549CO 0.00 -0.06 0.32 -0.44 -2.23 0.00 0.00 178.31 175.91 3n3u h ASP 3550N 0.11 0.00 0.02 0.41 3.32 -1.80 -2.00 116.42 116.49 3n3u h ASP 3550Ca 0.18 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.83 3n3u h ASP 3550Cb 0.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3n3u h ASP 3550CO -0.29 0.00 -2.36 0.47 -1.72 0.00 0.00 179.24 175.35 3n3u n ASP 3551N -3.20 1.99 -0.34 6.45 10.43 0.18 -4.11 116.55 127.94 3n3u n ASP 3551Ca 0.01 0.04 0.23 0.00 2.57 0.00 0.00 54.79 57.63 3n3u n ASP 3551Cb 0.41 -0.59 0.48 0.00 1.84 0.00 0.00 41.12 43.26 3n3u n ASP 3551CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3n3u h ILE 3552N -0.23 0.47 0.00 0.53 2.04 -0.50 0.22 117.51 120.03 3n3u h ILE 3552Ca -0.57 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3n3u h ILE 3552Cb 1.84 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3n3u h ILE 3552CO -0.13 0.08 -0.12 -0.07 0.00 0.00 0.00 178.15 177.90 3n3u h LEU 3553N 0.41 0.00 -0.69 1.44 4.07 -1.54 -3.30 115.31 115.70 3n3u h LEU 3553Ca 0.64 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.60 3n3u h LEU 3553Cb 1.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.28 3n3u h LEU 3553CO -0.39 0.12 -0.16 0.35 -1.08 0.00 0.00 178.44 177.28 3n3u n THR 3554N -3.34 0.00 -0.19 0.22 -2.24 0.69 -4.39 114.28 105.04 3n3u n THR 3554Ca -0.00 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3n3u n THR 3554Cb 0.33 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.72 3n3u n THR 3554CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3n3u h GLU 3555N 0.85 1.01 -0.18 -0.78 4.11 -1.43 -1.61 114.58 116.55 3n3u h GLU 3555Ca 0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 3n3u h GLU 3555Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3n3u h GLU 3555CO 0.00 0.99 0.04 0.78 0.07 0.00 0.00 179.01 180.89 3n3u h GLY 3556N 1.00 0.31 1.16 1.06 0.00 -1.83 -2.07 103.07 102.70 3n3u h GLY 3556Ca 0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3n3u h GLY 3556CO 0.03 0.18 0.19 0.00 0.00 0.00 0.00 176.54 176.94 3n3u h ALA 3557N 0.85 1.06 -0.30 3.60 0.00 -1.83 -1.74 119.26 120.90 3n3u h ALA 3557Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3n3u h ALA 3557Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3n3u h ALA 3557CO 0.00 0.63 0.14 0.87 0.00 0.00 0.00 179.25 180.89 3n3u h LYS 3558N 1.01 0.44 -0.91 0.00 1.57 -1.26 -2.21 116.57 115.21 3n3u h LYS 3558Ca 0.22 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3n3u h LYS 3558Cb 0.31 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 3n3u h LYS 3558CO -0.00 0.43 0.58 0.87 -0.57 0.00 0.00 179.45 180.75 3n3u h LYS 3559N 0.35 1.05 -0.23 3.15 1.79 -1.08 -1.26 116.57 120.34 3n3u h LYS 3559Ca 0.10 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3n3u h LYS 3559Cb 0.14 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3n3u h LYS 3559CO -0.01 0.69 0.10 0.28 -1.08 0.00 0.00 179.45 179.44 3n3u h VAL 3560N 1.08 1.15 -0.49 0.50 2.07 -1.06 -1.31 116.25 118.18 3n3u h VAL 3560Ca 0.38 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 3n3u h VAL 3560Cb 0.11 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3n3u h VAL 3560CO -0.15 0.15 -0.14 -0.33 0.02 0.00 0.00 177.57 177.11 3n3u h GLU 3561N 0.23 0.94 -0.82 1.57 4.39 -1.09 -1.13 114.58 118.66 3n3u h GLU 3561Ca 0.08 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 3n3u h GLU 3561Cb 0.14 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3n3u h GLU 3561CO -0.01 1.01 0.40 0.77 -1.16 0.00 0.00 179.01 180.02 3n3u h SER 3562N 0.83 1.07 0.02 1.42 0.02 -1.14 0.65 113.55 116.43 3n3u h SER 3562Ca 0.13 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n3u h SER 3562Cb 0.68 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3n3u h SER 3562CO 0.05 0.90 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.54 3n3u h ARG 3563N 1.17 -0.03 -0.52 3.45 2.43 -0.89 -1.32 114.38 118.67 3n3u h ARG 3563Ca 0.28 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3n3u h ARG 3563Cb 0.11 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3n3u h ARG 3563CO -0.04 0.14 0.29 0.82 -1.51 0.00 0.00 179.97 179.68 3n3u h ILE 3564N -0.20 1.01 -0.52 1.20 2.04 -1.03 -2.33 117.51 117.68 3n3u h ILE 3564Ca -0.00 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3n3u h ILE 3564Cb 0.19 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3n3u h ILE 3564CO 0.01 0.10 0.19 -1.13 0.00 0.00 0.00 178.15 177.32 3n3u h ASN 3565N 0.57 0.69 -0.22 1.72 -1.24 -0.74 -1.85 115.58 114.52 3n3u h ASN 3565Ca 0.22 -0.09 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 3n3u h ASN 3565Cb 0.08 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3n3u h ASN 3565CO -0.12 0.64 -0.09 0.50 -1.29 0.00 0.00 177.43 177.07 3n3u h LYS 3566N 0.75 0.58 -0.02 6.67 3.64 -0.81 -1.84 116.57 125.55 3n3u h LYS 3566Ca 0.18 -0.16 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 3n3u h LYS 3566Cb 0.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3n3u h LYS 3566CO -0.01 0.67 -0.84 0.00 -2.27 0.00 0.00 179.45 177.00 3n3u h ALA 3567N 1.37 0.53 0.00 5.00 0.00 -0.84 -3.34 119.26 121.98 3n3u h ALA 3567Ca 0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3n3u h ALA 3567Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3n3u h ALA 3567CO 0.03 0.84 -1.51 0.44 0.00 0.00 0.00 179.25 179.05 3n3u n ILE 3568N -3.73 0.31 -2.04 0.00 -6.64 -0.81 -2.15 119.36 104.30 3n3u n ILE 3568Ca -0.04 -0.53 -0.42 0.00 -1.77 0.00 0.00 62.75 59.99 3n3u n ILE 3568Cb 0.78 -0.17 -0.03 0.00 -1.44 0.00 0.00 39.64 38.78 3n3u n ILE 3568CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 3n3u s THR 3569N -3.44 3.18 -0.44 7.28 2.01 -0.70 -4.81 115.64 118.72 3n3u s THR 3569Ca -0.04 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 3n3u s THR 3569Cb 0.12 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.20 3n3u s THR 3569CO 0.85 0.02 0.98 0.12 -0.69 0.00 0.00 174.62 175.90 3n3u s PHE 3570N 2.08 2.94 -0.45 4.92 5.36 -1.26 -4.60 117.98 126.96 3n3u s PHE 3570Ca 0.69 0.57 0.05 0.00 -0.96 0.00 0.00 56.93 57.28 3n3u s PHE 3570Cb -0.38 -4.00 0.18 0.00 -0.34 0.00 0.00 43.02 38.48 3n3u s PHE 3570CO 0.30 -1.07 0.52 0.50 -1.46 0.00 0.00 175.22 174.01 3n3u s ARG 3571N 3.86 0.96 0.52 10.12 6.06 -1.26 -4.83 118.95 134.38 3n3u s ARG 3571Ca 0.40 -1.54 -0.19 0.00 -2.50 0.00 0.00 55.73 51.90 3n3u s ARG 3571Cb -0.10 -0.75 -0.07 0.00 0.06 0.00 0.00 34.95 34.09 3n3u s ARG 3571CO 0.26 -1.35 1.05 -1.25 -2.50 0.00 0.00 175.30 171.51 3n3u s PRO 3572N 0.53 3.63 0.78 5.12 0.04 -1.26 -4.91 135.00 138.93 3n3u s PRO 3572Ca 0.30 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 3n3u s PRO 3572Cb 0.01 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.53 3n3u s PRO 3572CO -0.12 -0.57 1.08 -1.54 0.04 0.00 0.00 177.00 175.90 3n3u s SER 3573N -2.28 4.53 0.28 6.66 1.04 -1.26 -4.74 113.70 117.94 3n3u s SER 3573Ca 0.66 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.73 3n3u s SER 3573Cb -0.16 -2.38 0.60 0.00 0.10 0.00 0.00 66.02 64.18 3n3u s SER 3573CO 0.26 -1.99 1.79 0.58 0.98 0.00 0.00 173.24 174.86 3n3u h VAL 3574N -1.10 0.78 -0.47 5.02 2.07 -1.96 0.27 116.25 120.85 3n3u h VAL 3574Ca -0.45 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3n3u h VAL 3574Cb 1.24 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3n3u h VAL 3574CO 0.55 0.14 0.05 -0.33 0.02 0.00 0.00 177.57 177.99 3n3u h GLU 3575N 0.77 0.75 -0.13 1.57 3.07 -2.00 -2.07 114.58 116.54 3n3u h GLU 3575Ca 0.51 -0.17 -0.22 0.00 -0.50 0.00 0.00 59.36 58.97 3n3u h GLU 3575Cb 0.67 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3n3u h GLU 3575CO -0.34 0.73 -0.78 0.93 -1.40 0.00 0.00 179.01 178.15 3n3u h GLU 3576N 0.71 0.76 -0.53 2.33 5.08 -1.32 -1.86 114.58 119.75 3n3u h GLU 3576Ca 0.15 -0.64 0.09 0.00 -1.00 0.00 0.00 59.36 57.95 3n3u h GLU 3576Cb 0.37 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 3n3u h GLU 3576CO 0.01 1.25 0.15 0.35 -1.00 0.00 0.00 179.01 179.77 3n3u h PHE 3577N 0.48 0.26 -0.19 4.33 3.57 -0.34 -0.78 116.94 124.27 3n3u h PHE 3577Ca -0.06 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.27 3n3u h PHE 3577Cb 1.42 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.13 3n3u h PHE 3577CO 0.09 0.04 -0.65 0.77 -2.23 0.00 0.00 178.31 176.33 3n3u h SER 3578N 0.31 0.90 -0.88 0.41 0.02 -1.39 -2.50 113.55 110.42 3n3u h SER 3578Ca 0.27 -0.60 0.05 0.00 -0.84 0.00 0.00 61.79 60.67 3n3u h SER 3578Cb 0.34 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 3n3u h SER 3578CO -0.31 1.34 0.56 -0.08 -1.14 0.00 0.00 176.83 177.20 3n3u h GLU 3579N 0.50 1.01 -0.70 3.45 4.81 -1.02 -1.35 114.58 121.29 3n3u h GLU 3579Ca -0.03 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3n3u h GLU 3579Cb 1.27 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3n3u h GLU 3579CO 0.14 0.67 0.22 0.82 -0.73 0.00 0.00 179.01 180.12 3n3u h ILE 3580N 1.04 1.26 -0.11 2.32 2.04 -1.10 -0.75 117.51 122.22 3n3u h ILE 3580Ca 0.37 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.37 3n3u h ILE 3580Cb 0.10 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3n3u h ILE 3580CO -0.15 0.35 -0.10 1.56 0.00 0.00 0.00 178.15 179.81 3n3u h GLN 3581N 1.03 -0.11 -0.44 2.37 1.08 -0.83 -1.94 115.11 116.27 3n3u h GLN 3581Ca 0.23 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3n3u h GLN 3581Cb 0.31 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3n3u h GLN 3581CO -0.01 -0.08 0.09 -0.44 -0.95 0.00 0.00 178.83 177.45 3n3u h ASP 3582N -0.12 0.68 -0.61 1.46 3.32 -1.15 -3.16 116.42 116.84 3n3u h ASP 3582Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3n3u h ASP 3582Cb 0.22 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3n3u h ASP 3582CO -0.18 0.75 0.35 -0.07 -1.72 0.00 0.00 179.24 178.38 3n3u h LEU 3583N 0.58 0.77 -1.12 1.55 3.38 -0.88 -2.07 115.31 117.52 3n3u h LEU 3583Ca 0.14 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3n3u h LEU 3583Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3n3u h LEU 3583CO 0.00 0.62 -0.25 0.58 0.09 0.00 0.00 178.44 179.48 3n3u h VAL 3584N 0.88 1.25 0.00 1.22 2.07 -1.33 -2.15 116.25 118.19 3n3u h VAL 3584Ca 0.23 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3n3u h VAL 3584Cb 0.01 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3n3u h VAL 3584CO -0.04 0.36 -0.07 0.11 0.02 0.00 0.00 177.57 177.95 3n3u h LYS 3585N 0.28 0.00 -0.10 1.57 1.57 -1.38 -2.68 116.57 115.83 3n3u h LYS 3585Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3n3u h LYS 3585Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3n3u h LYS 3585CO 0.04 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 179.24 3n3u n THR 3586N -4.10 0.11 -2.44 -0.16 -2.24 -0.81 -4.95 114.28 99.69 3n3u n THR 3586Ca -0.03 -0.38 -0.40 0.00 -2.27 0.00 0.00 64.05 60.97 3n3u n THR 3586Cb 0.15 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 3n3u n THR 3586CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n3u s LEU 3587N -1.83 4.52 0.26 3.22 1.02 -1.01 -4.85 118.68 120.01 3n3u s LEU 3587Ca 0.35 2.30 -0.29 0.00 0.02 0.00 0.00 54.13 56.50 3n3u s LEU 3587Cb 0.20 -3.66 -0.09 0.00 0.02 0.00 0.00 46.19 42.66 3n3u s LEU 3587CO 0.31 -0.20 1.21 -2.84 0.02 0.00 0.00 176.35 174.85 3n3u s PRO 3588N -1.53 4.49 -0.18 1.29 0.02 -1.26 -5.03 135.00 132.79 3n3u s PRO 3588Ca 0.46 1.98 -0.08 0.00 0.02 0.00 0.00 61.00 63.37 3n3u s PRO 3588Cb -0.32 -3.17 0.07 0.00 0.02 0.00 0.00 34.50 31.10 3n3u s PRO 3588CO 0.41 -0.04 0.41 0.21 -0.33 0.00 0.00 177.00 177.67 3n3u s LYS 3589N -1.03 0.37 0.54 5.54 2.20 -1.26 -4.38 119.74 121.71 3n3u s LYS 3589Ca 0.50 0.89 -0.13 0.00 -0.36 0.00 0.00 55.97 56.86 3n3u s LYS 3589Cb -0.35 0.11 -0.06 0.00 -1.51 0.00 0.00 37.83 36.02 3n3u s LYS 3589CO 0.43 -0.20 0.97 -0.08 -0.36 0.00 0.00 175.35 176.11 3n3u s THR 3590N 1.88 4.64 -0.92 3.43 -1.32 0.02 -4.98 115.64 118.39 3n3u s THR 3590Ca -0.06 0.98 0.20 0.00 -1.21 0.00 0.00 61.69 61.60 3n3u s THR 3590Cb -0.10 -3.78 -0.23 0.00 -1.51 0.00 0.00 72.50 66.88 3n3u s THR 3590CO -0.13 -0.85 0.85 0.29 -2.21 0.00 0.00 174.62 172.57 3n3u n LYS 3591N -2.01 0.24 -2.60 7.08 5.02 -1.26 -4.81 118.16 119.82 3n3u n LYS 3591Ca 0.06 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 3n3u n LYS 3591Cb 0.54 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 3n3u n LYS 3591CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3n3u s VAL 3592N -2.97 3.86 -1.13 -0.18 0.11 -1.26 -4.96 120.40 113.87 3n3u s VAL 3592Ca 0.07 1.77 -0.20 0.00 -2.93 0.00 0.00 61.98 60.69 3n3u s VAL 3592Cb 0.15 -4.13 0.07 0.00 -1.53 0.00 0.00 36.38 30.94 3n3u s VAL 3592CO 0.85 0.38 1.54 -0.63 -3.33 0.00 0.00 175.10 173.91 3n3u s ILE 3593N -0.86 4.10 0.27 7.04 -1.09 -1.26 -4.98 121.20 124.42 3n3u s ILE 3593Ca 0.45 -1.34 -0.30 0.00 -2.23 0.00 0.00 60.65 57.22 3n3u s ILE 3593Cb -0.29 -5.09 -0.10 0.00 -1.58 0.00 0.00 42.46 35.40 3n3u s ILE 3593CO 0.36 -1.93 1.46 -1.61 -1.23 0.00 0.00 174.94 171.98 3n3u s GLU 3594N 4.39 4.24 0.78 2.79 2.02 -1.26 -5.01 118.70 126.65 3n3u s GLU 3594Ca 0.48 2.37 -0.09 0.00 0.02 0.00 0.00 54.97 57.75 3n3u s GLU 3594Cb 0.01 -3.08 0.10 0.00 0.10 0.00 0.00 34.13 31.26 3n3u s GLU 3594CO -0.03 -0.45 1.11 0.16 0.02 0.00 0.00 175.26 176.08 3n3u s ASP 3595N 0.28 4.37 0.22 -0.19 1.47 -1.26 -4.82 116.67 116.74 3n3u s ASP 3595Ca 0.59 0.44 -0.08 0.00 1.18 0.00 0.00 52.55 54.67 3n3u s ASP 3595Cb -0.43 -0.90 0.27 0.00 -0.34 0.00 0.00 42.92 41.51 3n3u s ASP 3595CO 0.46 -1.92 1.83 0.25 0.68 0.00 0.00 175.17 176.47 3n3u h LEU 3596N -0.91 0.67 -0.80 2.11 6.46 -1.99 -1.09 115.31 119.75 3n3u h LEU 3596Ca -0.44 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.35 3n3u h LEU 3596Cb 1.30 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 3n3u h LEU 3596CO 0.56 0.43 0.53 -1.28 -0.62 0.00 0.00 178.44 178.06 3n3u h SER 3597N 0.80 0.91 -0.20 1.25 0.87 -1.98 0.48 113.55 115.68 3n3u h SER 3597Ca 0.32 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3n3u h SER 3597Cb 0.16 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3n3u h SER 3597CO -0.17 0.65 0.04 0.74 -0.53 0.00 0.00 176.83 177.56 3n3u h THR 3598N 1.07 1.22 -0.37 2.23 2.02 -1.74 -1.38 112.91 115.96 3n3u h THR 3598Ca 0.30 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3n3u h THR 3598Cb -0.10 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3n3u h THR 3598CO -0.07 0.22 0.15 0.11 0.37 0.00 0.00 175.52 176.29 3n3u h LYS 3599N 0.13 0.55 -0.52 6.66 1.57 -0.88 -1.69 116.57 122.39 3n3u h LYS 3599Ca 0.06 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3n3u h LYS 3599Cb 0.29 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3n3u h LYS 3599CO 0.00 0.53 0.20 1.15 -0.57 0.00 0.00 179.45 180.76 3n3u h THR 3600N 0.44 0.85 -0.65 -0.16 2.02 0.03 -1.45 112.91 114.00 3n3u h THR 3600Ca 0.12 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 3n3u h THR 3600Cb 0.18 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3n3u h THR 3600CO -0.01 0.07 0.05 0.78 0.37 0.00 0.00 175.52 176.79 3n3u h ASN 3601N 0.39 1.07 -0.33 4.18 2.35 -1.07 -1.51 115.58 120.67 3n3u h ASN 3601Ca 0.25 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3n3u h ASN 3601Cb 0.25 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3n3u h ASN 3601CO -0.23 1.09 0.16 -0.33 -1.65 0.00 0.00 177.43 176.47 3n3u h GLU 3602N 1.02 0.47 -0.53 0.81 5.08 -0.80 -0.58 114.58 120.06 3n3u h GLU 3602Ca 0.19 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3n3u h GLU 3602Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3n3u h GLU 3602CO 0.02 0.43 -0.10 0.82 -1.00 0.00 0.00 179.01 179.18 3n3u h ILE 3603N 0.40 1.27 -0.34 3.13 2.04 -1.22 -1.13 117.51 121.67 3n3u h ILE 3603Ca 0.11 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3n3u h ILE 3603Cb 0.11 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3n3u h ILE 3603CO -0.02 0.44 0.18 0.74 0.00 0.00 0.00 178.15 179.49 3n3u h THR 3604N 0.86 1.15 -0.75 -0.27 2.02 -1.13 -0.93 112.91 113.86 3n3u h THR 3604Ca 0.14 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3n3u h THR 3604Cb 0.66 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3n3u h THR 3604CO 0.05 0.15 0.29 -0.33 0.37 0.00 0.00 175.52 176.05 3n3u h GLU 3605N 0.41 1.12 -0.78 6.66 4.39 -0.99 -0.69 114.58 124.70 3n3u h GLU 3605Ca 0.12 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3n3u h GLU 3605Cb 0.08 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3n3u h GLU 3605CO -0.02 0.92 0.36 0.00 -1.16 0.00 0.00 179.01 179.11 3n3u h ALA 3606N 1.15 1.16 -0.32 3.43 0.00 -0.95 -1.60 119.26 122.13 3n3u h ALA 3606Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3n3u h ALA 3606Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n3u h ALA 3606CO -0.02 0.63 -0.11 1.25 0.00 0.00 0.00 179.25 181.00 3n3u h LEU 3607N 1.12 0.65 -1.85 0.00 5.85 -0.72 -2.97 115.31 117.38 3n3u h LEU 3607Ca 0.27 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3n3u h LEU 3607Cb 0.14 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3n3u h LEU 3607CO -0.03 0.88 -0.13 0.00 -0.34 0.00 0.00 178.44 178.82 3n3u h ALA 3608N 0.78 1.54 0.00 1.25 0.00 -0.81 -1.80 119.26 120.23 3n3u h ALA 3608Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3n3u h ALA 3608Cb 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3n3u h ALA 3608CO 0.04 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.35 3n3u h ALA 3609N 1.87 1.03 -0.57 0.00 0.00 -1.13 -2.93 119.26 117.52 3n3u h ALA 3609Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3n3u h ALA 3609Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3n3u h ALA 3609CO 0.02 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.65 3n3u n THR 3610N -3.26 1.30 -3.65 0.00 -2.24 -0.68 -4.87 114.28 100.89 3n3u n THR 3610Ca 0.00 -0.93 -0.03 0.00 -2.27 0.00 0.00 64.05 60.83 3n3u n THR 3610Cb 0.36 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 3n3u n THR 3610CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n3u s SER 3611N -0.88 -1.06 0.29 3.42 0.15 -1.11 -5.03 113.70 109.48 3n3u s SER 3611Ca 0.42 1.54 0.10 0.00 0.70 0.00 0.00 55.95 58.71 3n3u s SER 3611Cb 0.26 2.05 0.41 0.00 -1.71 0.00 0.00 66.02 67.03 3n3u s SER 3611CO 0.23 -0.22 1.65 0.11 1.20 0.00 0.00 173.24 176.20 3n3u h LYS 3612N 7.78 0.02 -0.55 5.44 1.57 -1.89 -2.85 116.57 126.08 3n3u h LYS 3612Ca -0.21 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 3n3u h LYS 3612Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3n3u h LYS 3612CO 0.12 0.58 0.06 1.15 -0.57 0.00 0.00 179.45 180.79 3n3u h THR 3613N 0.01 1.26 -0.46 -0.16 2.02 -1.95 -1.46 112.91 112.18 3n3u h THR 3613Ca -0.01 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 3n3u h THR 3613Cb 1.02 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3n3u h THR 3613CO 0.08 0.37 0.10 0.40 0.37 0.00 0.00 175.52 176.83 3n3u h ILE 3614N 0.82 1.24 -0.47 3.11 2.04 -1.85 -0.90 117.51 121.49 3n3u h ILE 3614Ca 0.16 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3n3u h ILE 3614Cb 0.45 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3n3u h ILE 3614CO 0.02 0.30 0.31 1.56 0.00 0.00 0.00 178.15 180.34 3n3u h GLN 3615N 0.61 0.53 0.00 2.37 4.20 -1.30 -2.92 115.11 118.60 3n3u h GLN 3615Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3n3u h GLN 3615Cb 0.34 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3n3u h GLN 3615CO 0.00 0.35 -1.00 0.54 -0.67 0.00 0.00 178.83 178.05 3n3u n ARG 3616N -4.47 0.33 -3.92 1.46 1.74 -0.57 -4.71 116.66 106.51 3n3u n ARG 3616Ca 0.05 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 3n3u n ARG 3616Cb 0.13 -1.62 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 3n3u n ARG 3616CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3n3u s THR 3617N -3.22 2.72 0.29 0.55 2.01 -0.37 -4.98 115.64 112.63 3n3u s THR 3617Ca 0.03 -2.78 0.01 0.00 0.31 0.00 0.00 61.69 59.25 3n3u s THR 3617Cb 0.14 -2.90 0.28 0.00 0.01 0.00 0.00 72.50 70.03 3n3u s THR 3617CO 0.79 -0.73 1.87 -0.65 -0.69 0.00 0.00 174.62 175.22 3n3u h PRO 3618N 7.14 1.01 -0.09 4.92 0.11 -1.84 -1.97 132.00 141.28 3n3u h PRO 3618Ca -0.06 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3n3u h PRO 3618Cb 0.96 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3n3u h PRO 3618CO 0.63 0.67 -0.38 1.49 -0.21 0.00 0.00 178.00 180.21 3n3u h GLU 3619N 1.04 0.18 -0.10 1.05 4.81 -1.93 -1.16 114.58 118.48 3n3u h GLU 3619Ca 0.44 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3n3u h GLU 3619Cb 0.32 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3n3u h GLU 3619CO -0.20 0.54 -0.11 1.25 -0.73 0.00 0.00 179.01 179.76 3n3u h LEU 3620N 0.15 0.26 -0.74 1.64 5.85 -1.76 -2.77 115.31 117.95 3n3u h LEU 3620Ca 0.02 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.31 3n3u h LEU 3620Cb 0.74 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3n3u h LEU 3620CO 0.06 0.71 0.41 0.50 -0.34 0.00 0.00 178.44 179.78 3n3u h LYS 3621N -0.18 0.71 -0.57 1.25 3.64 -1.12 -1.17 116.57 119.13 3n3u h LYS 3621Ca 0.01 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3n3u h LYS 3621Cb 0.64 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3n3u h LYS 3621CO 0.03 0.47 -0.01 1.49 -2.27 0.00 0.00 179.45 179.16 3n3u h GLU 3622N 0.73 1.01 0.00 1.90 4.57 -1.23 -0.79 114.58 120.77 3n3u h GLU 3622Ca 0.34 -0.33 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 3n3u h GLU 3622Cb 0.26 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3n3u h GLU 3622CO -0.21 1.01 -0.70 1.96 -1.18 0.00 0.00 179.01 179.89 3n3u h GLN 3623N 0.90 0.00 -0.59 1.92 4.20 -1.18 -2.21 115.11 118.15 3n3u h GLN 3623Ca 0.16 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 3n3u h GLN 3623Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3n3u h GLN 3623CO 0.03 0.70 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.79 3n3u h LEU 3624N 0.00 1.05 -0.93 1.46 3.38 -1.06 -2.49 115.31 116.72 3n3u h LEU 3624Ca -0.01 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3n3u h LEU 3624Cb 1.29 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3n3u h LEU 3624CO 0.09 1.12 0.60 0.50 0.09 0.00 0.00 178.44 180.85 3n3u h LYS 3625N 0.96 1.13 -0.38 1.13 3.64 -0.86 -1.08 116.57 121.11 3n3u h LYS 3625Ca 0.16 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3n3u h LYS 3625Cb 0.61 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3n3u h LYS 3625CO 0.04 0.75 0.12 1.15 -2.27 0.00 0.00 179.45 179.24 3n3u h THR 3626N 1.16 1.21 -0.81 1.00 2.02 -1.24 -0.17 112.91 116.09 3n3u h THR 3626Ca 0.38 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3n3u h THR 3626Cb 0.02 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3n3u h THR 3626CO -0.13 0.24 0.47 0.00 0.37 0.00 0.00 175.52 176.47 3n3u h ALA 3627N 0.97 1.31 -0.42 6.16 0.00 -1.03 -0.28 119.26 125.97 3n3u h ALA 3627Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3n3u h ALA 3627Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3n3u h ALA 3627CO -0.00 0.58 0.01 0.82 0.00 0.00 0.00 179.25 180.66 3n3u h ILE 3628N 1.12 1.26 -0.09 0.00 2.04 -0.92 -1.41 117.51 119.51 3n3u h ILE 3628Ca 0.29 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3n3u h ILE 3628Cb -0.02 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3n3u h ILE 3628CO -0.05 0.34 0.05 -0.08 0.00 0.00 0.00 178.15 178.41 3n3u h GLU 3629N 0.57 0.13 -0.49 2.37 4.81 -0.60 -0.60 114.58 120.76 3n3u h GLU 3629Ca 0.12 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3n3u h GLU 3629Cb 0.47 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 3n3u h GLU 3629CO 0.02 0.14 0.17 -0.44 -0.73 0.00 0.00 179.01 178.18 3n3u h ASP 3630N 0.08 0.17 -0.36 1.04 5.19 -1.01 0.45 116.42 121.98 3n3u h ASP 3630Ca 0.03 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3n3u h ASP 3630Cb 0.05 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3n3u h ASP 3630CO -0.01 0.13 0.18 0.15 -3.12 0.00 0.00 179.24 176.57 3n3u h PHE 3631N 0.35 0.52 -0.55 4.55 3.57 -0.98 -0.96 116.94 123.44 3n3u h PHE 3631Ca 0.24 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3n3u h PHE 3631Cb 0.25 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3n3u h PHE 3631CO -0.16 0.44 0.14 -0.07 -2.23 0.00 0.00 178.31 176.42 3n3u h LEU 3632N 0.45 0.83 -0.19 0.59 3.38 -0.85 -2.21 115.31 117.31 3n3u h LEU 3632Ca 0.13 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3n3u h LEU 3632Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3n3u h LEU 3632CO -0.02 0.84 0.07 -0.61 0.09 0.00 0.00 178.44 178.82 3n3u h GLN 3633N 0.77 0.17 0.00 1.13 5.75 -0.70 -2.43 115.11 119.81 3n3u h GLN 3633Ca 0.17 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3n3u h GLN 3633Cb 0.34 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3n3u h GLN 3633CO 0.00 0.11 -0.10 -0.91 -2.65 0.00 0.00 178.83 175.28 3n3u h ASN 3634N 0.17 0.00 -0.01 -0.69 2.35 -1.09 -3.26 115.58 113.05 3n3u h ASN 3634Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3n3u h ASN 3634Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3n3u h ASN 3634CO -0.08 0.10 -0.47 -1.54 -1.65 0.00 0.00 177.43 173.79 3n3u n SER 3635N -3.17 1.71 -4.72 5.81 3.41 -0.84 -4.87 113.62 110.96 3n3u n SER 3635Ca 0.02 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.86 3n3u n SER 3635Cb 0.46 0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 3n3u n SER 3635CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3n3u s GLN 3636N -2.28 4.24 -1.49 4.33 0.74 -0.93 -2.48 119.66 121.79 3n3u s GLN 3636Ca 0.15 2.29 0.00 0.00 0.05 0.00 0.00 55.36 57.85 3n3u s GLN 3636Cb 0.15 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 31.08 3n3u s GLN 3636CO 0.53 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 3n3u n GLY 3637N 3.70 -0.33 3.02 2.59 0.00 -1.26 -4.96 105.19 107.95 3n3u n GLY 3637Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3n3u n GLY 3637CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n3u s LYS 3638N -4.91 0.38 0.31 1.61 2.20 -1.04 -5.13 119.74 113.16 3n3u s LYS 3638Ca 0.00 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 3n3u s LYS 3638Cb 0.00 0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 36.36 3n3u s LYS 3638CO 0.00 -0.07 1.38 -2.14 -0.36 0.00 0.00 175.35 174.16 3n3u s PRO 3639N -1.79 4.29 0.39 4.03 0.02 -1.26 -4.92 135.00 135.75 3n3u s PRO 3639Ca -0.13 2.30 -0.27 0.00 0.02 0.00 0.00 61.00 62.91 3n3u s PRO 3639Cb -0.07 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3n3u s PRO 3639CO -0.02 -0.32 1.44 -1.17 -0.33 0.00 0.00 177.00 176.60 3n3u s LEU 3640N -1.34 4.29 0.19 -5.54 0.20 -1.26 -5.01 118.68 110.21 3n3u s LEU 3640Ca 0.53 2.95 0.08 0.00 0.69 0.00 0.00 54.13 58.38 3n3u s LEU 3640Cb -0.41 -3.73 -0.04 0.00 -0.43 0.00 0.00 46.19 41.57 3n3u s LEU 3640CO 0.51 -0.88 -0.16 0.42 -0.29 0.00 0.00 176.35 175.94 3n3u s THR 3641N -1.15 1.82 0.32 3.68 -4.23 -1.26 -4.92 115.64 109.91 3n3u s THR 3641Ca 0.54 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3n3u s THR 3641Cb -0.44 -1.97 0.27 0.00 1.34 0.00 0.00 72.50 71.70 3n3u s THR 3641CO 0.59 -0.47 1.96 0.58 -0.54 0.00 0.00 174.62 176.74 3n3u h VAL 3642N 2.82 1.12 -0.95 2.29 2.07 -1.95 -2.30 116.25 119.34 3n3u h VAL 3642Ca -0.40 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3n3u h VAL 3642Cb 1.22 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3n3u h VAL 3642CO 0.57 0.17 0.63 -0.61 0.02 0.00 0.00 177.57 178.35 3n3u h GLN 3643N 0.96 1.20 -0.76 1.57 5.75 -1.99 0.94 115.11 122.77 3n3u h GLN 3643Ca 0.32 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3n3u h GLN 3643Cb 0.06 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 3n3u h GLN 3643CO -0.09 0.79 0.44 0.52 -2.65 0.00 0.00 178.83 177.83 3n3u h MET 3644N 1.23 1.05 -0.32 1.69 2.86 -1.83 -1.15 114.93 118.47 3n3u h MET 3644Ca 0.37 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 3n3u h MET 3644Cb -0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 3n3u h MET 3644CO -0.11 0.77 -0.42 0.82 1.06 0.00 0.00 176.91 179.03 3n3u h ILE 3645N 1.05 1.28 -0.10 -1.22 2.04 -1.10 -1.16 117.51 118.30 3n3u h ILE 3645Ca 0.27 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.54 3n3u h ILE 3645Cb 0.01 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3n3u h ILE 3645CO -0.05 0.52 0.02 -0.33 0.00 0.00 0.00 178.15 178.32 3n3u h GLU 3646N 0.64 0.07 -0.32 2.37 5.08 -0.59 0.41 114.58 122.23 3n3u h GLU 3646Ca 0.05 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3n3u h GLU 3646Cb 0.99 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3n3u h GLU 3646CO 0.09 0.04 0.05 -0.91 -1.00 0.00 0.00 179.01 177.29 3n3u h ASN 3647N 0.07 0.44 -0.15 1.42 2.35 -1.10 -1.49 115.58 117.12 3n3u h ASN 3647Ca 0.04 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3n3u h ASN 3647Cb 0.03 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3n3u h ASN 3647CO -0.06 0.47 -0.03 0.25 -1.65 0.00 0.00 177.43 176.41 3n3u h LEU 3648N 0.47 0.28 -0.35 1.61 5.85 -0.85 -1.00 115.31 121.32 3n3u h LEU 3648Ca 0.11 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3n3u h LEU 3648Cb 0.23 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3n3u h LEU 3648CO 0.00 0.57 0.14 -1.13 -0.34 0.00 0.00 178.44 177.69 3n3u h ASN 3649N -0.02 0.17 -0.53 1.25 -0.73 -0.62 0.22 115.58 115.32 3n3u h ASN 3649Ca 0.04 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.28 3n3u h ASN 3649Cb 0.45 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.00 3n3u h ASN 3649CO 0.01 0.14 0.28 -0.74 -0.37 0.00 0.00 177.43 176.75 3n3u h HIS 3650N 0.30 0.51 0.00 0.67 2.76 -1.25 -2.27 115.15 115.87 3n3u h HIS 3650Ca 0.16 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3n3u h HIS 3650Cb 0.11 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3n3u h HIS 3650CO -0.13 0.26 -0.22 0.78 -1.30 0.00 0.00 177.93 177.31 3n3u h GLY 3651N 0.54 0.00 -0.87 5.26 0.00 -0.52 -2.73 103.07 104.75 3n3u h GLY 3651Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3n3u h GLY 3651CO -0.15 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.43 3n3u n LEU 3652N -3.67 1.45 -2.36 3.11 4.77 0.00 -4.16 117.00 116.15 3n3u n LEU 3652Ca -0.01 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.05 3n3u n LEU 3652Cb 0.35 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3n3u n LEU 3652CO 0.33 0.35 0.15 0.54 -1.33 0.00 0.00 177.39 177.43 3n3u n ARG 3653N 0.25 3.19 0.04 3.23 1.74 -1.03 -4.81 116.66 119.27 3n3u n ARG 3653Ca 0.12 -4.23 0.08 0.00 -0.77 0.00 0.00 57.85 53.05 3n3u n ARG 3653Cb 0.25 -2.13 0.36 0.00 -1.02 0.00 0.00 32.46 29.92 3n3u n ARG 3653CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3n3u n PRO 3654N -0.53 0.06 -0.14 5.56 -0.04 -1.26 -2.22 135.00 136.43 3n3u n PRO 3654Ca 0.36 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 64.15 3n3u n PRO 3654Cb 0.79 -1.61 0.11 0.00 -0.04 0.00 0.00 33.50 32.75 3n3u n PRO 3654CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3n3u n ASP 3655N -1.71 1.41 -4.39 3.54 3.85 -1.26 -4.82 116.55 113.18 3n3u n ASP 3655Ca 0.03 -2.03 -0.26 0.00 -0.71 0.00 0.00 54.79 51.82 3n3u n ASP 3655Cb 0.19 -0.20 -0.12 0.00 -1.35 0.00 0.00 41.12 39.64 3n3u n ASP 3655CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3n3u s GLU 3656N -1.67 1.42 0.80 0.11 2.02 -0.94 -5.14 118.70 115.30 3n3u s GLU 3656Ca 0.16 -1.43 -0.12 0.00 0.02 0.00 0.00 54.97 53.61 3n3u s GLU 3656Cb 0.09 -1.74 0.08 0.00 0.10 0.00 0.00 34.13 32.66 3n3u s GLU 3656CO 0.10 0.39 1.13 0.20 0.02 0.00 0.00 175.26 177.10 3n3u s GLY 3657N -2.45 1.83 0.84 -1.39 0.00 -1.26 -5.01 107.32 99.88 3n3u s GLY 3657Ca 0.17 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 3n3u s GLY 3657CO 0.08 0.87 1.09 -0.54 0.00 0.00 0.00 173.10 174.60 3n3u s GLU 3658N -4.59 1.68 0.00 2.90 0.41 -1.26 -3.54 118.70 114.30 3n3u s GLU 3658Ca 0.65 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 3n3u s GLU 3658Cb -0.21 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 3n3u s GLU 3658CO 0.53 -1.99 0.00 0.41 -0.49 0.00 0.00 175.26 173.73 3n3u n GLY 3659N -1.18 0.70 3.76 -1.39 0.00 -1.26 -5.03 105.19 100.78 3n3u n GLY 3659Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3n3u n GLY 3659CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3n3u s ARG 3660N -0.11 2.58 0.18 1.61 1.70 -1.23 -4.97 118.95 118.70 3n3u s ARG 3660Ca 0.00 1.47 -0.31 0.00 -0.47 0.00 0.00 55.73 56.43 3n3u s ARG 3660Cb 0.00 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.38 3n3u s ARG 3660CO 0.00 -1.44 1.39 -0.51 -1.08 0.00 0.00 175.30 173.66 3n3u s LEU 3661N -5.01 4.39 0.00 -1.89 1.43 -1.26 -4.97 118.68 111.37 3n3u s LEU 3661Ca 0.68 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 3n3u s LEU 3661Cb -0.22 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3n3u s LEU 3661CO 0.43 -0.63 0.12 -0.11 0.23 0.00 0.00 176.35 176.39 3n3u n LEU 3662N 3.16 0.99 -4.82 1.79 7.94 -1.26 -4.38 117.00 120.42 3n3u n LEU 3662Ca 0.09 0.38 -0.33 0.00 -1.11 0.00 0.00 56.01 55.03 3n3u n LEU 3662Cb 0.42 -0.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 3n3u n LEU 3662CO 0.59 -0.31 0.64 -0.31 -1.11 0.00 0.00 177.39 176.90 3n3u s TYR 3663N -0.85 3.34 0.58 1.96 2.02 -1.26 -1.21 117.35 121.94 3n3u s TYR 3663Ca 0.00 1.61 -0.18 0.00 -0.37 0.00 0.00 57.07 58.13 3n3u s TYR 3663Cb 0.00 -2.84 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3n3u s TYR 3663CO 0.00 -0.08 1.13 -1.59 -1.57 0.00 0.00 175.55 173.44 3n3u s LYS 3664N -3.09 3.15 -0.01 -0.62 -2.85 -0.74 -4.30 119.74 111.27 3n3u s LYS 3664Ca 0.61 1.55 0.16 0.00 -1.00 0.00 0.00 55.97 57.29 3n3u s LYS 3664Cb -0.10 -1.98 -0.22 0.00 -2.06 0.00 0.00 37.83 33.47 3n3u s LYS 3664CO 0.14 -1.00 0.49 0.36 0.10 0.00 0.00 175.35 175.44 3n3u n LYS 3665N -1.68 1.02 -3.86 1.78 2.85 -1.26 -4.78 118.16 112.24 3n3u n LYS 3665Ca 0.11 -0.09 -0.08 0.00 -1.05 0.00 0.00 58.31 57.21 3n3u n LYS 3665Cb 0.51 -1.33 -0.01 0.00 -0.65 0.00 0.00 35.03 33.55 3n3u n LYS 3665CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3n3u s GLU 3666N -2.87 1.92 0.00 -1.58 -1.05 -1.26 -4.85 118.70 109.01 3n3u s GLU 3666Ca -0.01 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 3n3u s GLU 3666Cb 0.11 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.40 3n3u s GLU 3666CO 0.67 -0.88 0.00 0.09 0.95 0.00 0.00 175.26 176.09 3n3u n ASN 3667N -0.77 0.61 0.00 0.83 3.02 -1.26 -4.95 115.26 112.74 3n3u n ASN 3667Ca -0.05 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3n3u n ASN 3667Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3n3u n ASN 3667CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3u n ALA 3673N -3.00 -0.86 -3.32 5.41 0.00 -1.26 -5.18 120.51 112.30 3n3u n ALA 3673Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3n3u n ALA 3673Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3n3u n ALA 3673CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n3u s VAL 3674N 0.00 3.62 0.44 0.00 0.11 -1.22 -4.83 120.40 118.52 3n3u s VAL 3674Ca 0.00 -1.15 0.04 0.00 -2.93 0.00 0.00 61.98 57.94 3n3u s VAL 3674Cb 0.00 -3.04 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 3n3u s VAL 3674CO 0.00 -0.14 0.63 -0.36 -3.33 0.00 0.00 175.10 171.90 3n3u s PHE 3675N 1.38 3.01 0.84 1.54 0.08 -1.26 -4.73 117.98 118.83 3n3u s PHE 3675Ca -0.02 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 3n3u s PHE 3675Cb -0.19 -2.37 0.10 0.00 -0.57 0.00 0.00 43.02 39.99 3n3u s PHE 3675CO 0.02 -0.43 1.16 -1.12 -0.10 0.00 0.00 175.22 174.75 3n3u s SER 3676N -4.29 3.50 0.87 1.36 0.01 -1.09 -4.99 113.70 109.07 3n3u s SER 3676Ca 0.51 2.22 -0.11 0.00 1.31 0.00 0.00 55.95 59.88 3n3u s SER 3676Cb -0.10 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.68 3n3u s SER 3676CO 0.35 -2.72 1.10 -0.94 0.41 0.00 0.00 173.24 171.45 3n3u s SER 3677N -2.52 3.53 0.18 2.44 1.04 -1.26 -4.74 113.70 112.36 3n3u s SER 3677Ca 0.69 1.84 -0.15 0.00 0.48 0.00 0.00 55.95 58.80 3n3u s SER 3677Cb -0.25 -2.44 0.14 0.00 0.10 0.00 0.00 66.02 63.57 3n3u s SER 3677CO 0.54 -2.65 1.68 -0.65 0.98 0.00 0.00 173.24 173.14 3n3u h PRO 3678N -1.56 0.08 -0.21 4.02 0.11 -1.88 0.64 132.00 133.20 3n3u h PRO 3678Ca -0.46 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3n3u h PRO 3678Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3n3u h PRO 3678CO 0.49 0.05 -0.47 1.49 -0.21 0.00 0.00 178.00 179.35 3n3u h GLU 3679N 0.08 0.68 -0.70 1.05 4.57 -1.92 -1.80 114.58 116.55 3n3u h GLU 3679Ca 0.22 -0.46 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 3n3u h GLU 3679Cb 0.32 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 3n3u h GLU 3679CO -0.39 1.08 0.46 0.00 -1.18 0.00 0.00 179.01 178.99 3n3u h ALA 3680N 0.60 1.60 -0.47 2.92 0.00 -1.87 -0.41 119.26 121.63 3n3u h ALA 3680Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3n3u h ALA 3680Cb 1.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3n3u h ALA 3680CO 0.10 0.33 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 3n3u h ALA 3681N 1.59 0.69 -0.14 0.00 0.00 -0.64 -1.79 119.26 118.97 3n3u h ALA 3681Ca 0.28 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n3u h ALA 3681Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3n3u h ALA 3681CO -0.08 0.67 0.03 0.87 0.00 0.00 0.00 179.25 180.74 3n3u h LYS 3682N 0.84 0.24 -0.37 0.00 1.57 -0.67 0.34 116.57 118.52 3n3u h LYS 3682Ca 0.10 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3n3u h LYS 3682Cb 0.81 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3n3u h LYS 3682CO 0.07 0.41 0.10 0.82 -0.57 0.00 0.00 179.45 180.28 3n3u h ILE 3683N 0.02 0.85 0.00 1.86 2.04 -1.06 -2.66 117.51 118.56 3n3u h ILE 3683Ca 0.04 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3n3u h ILE 3683Cb 0.29 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3n3u h ILE 3683CO 0.00 0.04 -0.25 1.56 0.00 0.00 0.00 178.15 179.50 3n3u h GLN 3684N 0.23 0.00 -0.37 2.37 4.20 -1.26 -2.35 115.11 117.94 3n3u h GLN 3684Ca 0.17 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3n3u h GLN 3684Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3n3u h GLN 3684CO -0.20 0.00 0.04 1.25 -0.67 0.00 0.00 178.83 179.24 3n3u h LEU 3685N 0.00 0.60 -0.86 1.46 5.85 -0.72 -1.00 115.31 120.64 3n3u h LEU 3685Ca 0.00 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3n3u h LEU 3685Cb 0.81 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3n3u h LEU 3685CO 0.00 0.73 0.38 0.00 -0.34 0.00 0.00 178.44 179.21 3n3u h ALA 3686N 0.89 1.10 -0.46 1.25 0.00 -1.25 -1.56 119.26 119.23 3n3u h ALA 3686Ca 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3n3u h ALA 3686Cb 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3n3u h ALA 3686CO 0.01 0.67 0.02 0.93 0.00 0.00 0.00 179.25 180.88 3n3u h GLU 3687N 1.19 0.74 -0.26 0.00 5.08 -1.33 -1.79 114.58 118.21 3n3u h GLU 3687Ca 0.28 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3n3u h GLU 3687Cb 0.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3n3u h GLU 3687CO -0.03 0.74 -0.30 1.15 -1.00 0.00 0.00 179.01 179.57 3n3u h THR 3688N 0.70 1.28 -0.39 1.13 2.02 -0.61 0.13 112.91 117.17 3n3u h THR 3688Ca 0.14 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 3n3u h THR 3688Cb 0.40 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3n3u h THR 3688CO 0.01 0.44 0.16 0.58 0.37 0.00 0.00 175.52 177.08 3n3u h VAL 3689N 0.46 1.19 -0.59 3.16 2.07 -1.01 -0.30 116.25 121.23 3n3u h VAL 3689Ca 0.06 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3n3u h VAL 3689Cb 0.75 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3n3u h VAL 3689CO 0.06 0.21 0.33 0.44 0.02 0.00 0.00 177.57 178.63 3n3u h ASP 3690N 0.49 0.51 -0.02 0.57 3.32 -0.86 -1.87 116.42 118.57 3n3u h ASP 3690Ca 0.13 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3n3u h ASP 3690Cb 0.18 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3n3u h ASP 3690CO -0.01 0.35 -0.04 0.15 -1.72 0.00 0.00 179.24 177.96 3n3u h PHE 3691N 0.64 -0.10 -0.43 4.55 3.57 -0.39 -0.16 116.94 124.61 3n3u h PHE 3691Ca 0.25 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3n3u h PHE 3691Cb 0.10 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3n3u h PHE 3691CO -0.08 -0.07 0.12 0.82 -2.23 0.00 0.00 178.31 176.87 3n3u h ILE 3692N -0.07 0.81 -0.13 1.41 2.04 -0.81 0.48 117.51 121.23 3n3u h ILE 3692Ca 0.02 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3n3u h ILE 3692Cb 0.10 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3n3u h ILE 3692CO -0.06 0.05 -0.02 0.78 0.00 0.00 0.00 178.15 178.90 3n3u h ASN 3693N 0.26 0.25 -0.64 1.72 2.35 -1.13 -2.65 115.58 115.75 3n3u h ASN 3693Ca 0.21 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3n3u h ASN 3693Cb 0.24 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3n3u h ASN 3693CO -0.25 0.54 0.20 -0.09 -1.65 0.00 0.00 177.43 176.18 3n3u h ARG 3694N -0.04 1.03 -0.89 0.81 2.43 -0.85 -1.51 114.38 115.35 3n3u h ARG 3694Ca 0.04 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3n3u h ARG 3694Cb 0.43 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3n3u h ARG 3694CO 0.01 0.89 0.59 0.00 -1.51 0.00 0.00 179.97 179.95 3n3u h ALA 3695N 1.22 1.13 -0.26 2.80 0.00 -0.87 -0.88 119.26 122.41 3n3u h ALA 3695Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3n3u h ALA 3695Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3n3u h ALA 3695CO -0.01 0.54 0.02 -0.22 0.00 0.00 0.00 179.25 179.58 3n3u h LYS 3696N 1.21 0.44 0.00 0.00 3.64 -1.09 0.26 116.57 121.03 3n3u h LYS 3696Ca 0.33 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3n3u h LYS 3696Cb -0.14 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3n3u h LYS 3696CO -0.07 0.59 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.76 3n3u h ASN 3697N 0.23 0.00 -0.36 4.20 2.35 -0.85 -1.81 115.58 119.34 3n3u h ASN 3697Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3n3u h ASN 3697Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3n3u h ASN 3697CO 0.01 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.19 3n3u n GLU 3698N -3.82 2.32 -3.67 0.81 1.02 -0.37 -4.98 120.64 111.94 3n3u n GLU 3698Ca -0.03 -2.11 -0.25 0.00 -0.02 0.00 0.00 57.16 54.76 3n3u n GLU 3698Cb 0.11 -1.42 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3n3u n GLU 3698CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n3u n GLY 3699N 1.16 -0.50 3.74 0.62 0.00 -0.57 -4.96 105.19 104.68 3n3u n GLY 3699Ca 0.16 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 3n3u n GLY 3699CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n3u s ILE 3700N -3.34 4.15 -0.39 -0.61 1.01 -0.03 -4.66 121.20 117.33 3n3u s ILE 3700Ca 0.51 1.90 -0.40 0.00 0.00 0.00 0.00 60.65 62.66 3n3u s ILE 3700Cb -0.23 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 37.87 3n3u s ILE 3700CO 0.76 0.35 2.04 1.21 0.00 0.00 0.00 174.94 179.30 3n3u n GLU 3701N 2.26 0.70 -0.19 2.79 4.07 -0.23 -4.77 120.64 125.27 3n3u n GLU 3701Ca 0.01 0.22 0.10 0.00 -0.06 0.00 0.00 57.16 57.43 3n3u n GLU 3701Cb 0.47 -2.03 0.41 0.00 -0.06 0.00 0.00 31.44 30.23 3n3u n GLU 3701CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3n3u h PRO 3702N 9.72 0.61 -0.50 5.31 0.11 -1.91 -2.14 132.00 143.20 3n3u h PRO 3702Ca -0.27 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3n3u h PRO 3702Cb 1.35 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3n3u h PRO 3702CO 1.03 0.40 0.10 0.66 -0.21 0.00 0.00 178.00 179.98 3n3u h SER 3703N 0.63 0.73 -0.10 -2.05 4.64 -1.91 0.12 113.55 115.61 3n3u h SER 3703Ca 0.36 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.35 3n3u h SER 3703Cb 0.54 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3n3u h SER 3703CO -0.13 0.73 -0.69 0.58 -0.87 0.00 0.00 176.83 176.45 3n3u h VAL 3704N 0.75 1.32 -0.52 0.95 2.07 -1.78 -2.61 116.25 116.43 3n3u h VAL 3704Ca 0.16 -1.96 0.05 0.00 0.82 0.00 0.00 66.70 65.77 3n3u h VAL 3704Cb 0.31 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 3n3u h VAL 3704CO 0.00 0.60 0.24 0.58 0.02 0.00 0.00 177.57 179.02 3n3u h VAL 3705N 0.30 0.92 -0.61 2.57 2.07 -1.11 -1.51 116.25 118.88 3n3u h VAL 3705Ca -0.06 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3n3u h VAL 3705Cb 1.34 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3n3u h VAL 3705CO 0.14 0.09 0.37 1.23 0.02 0.00 0.00 177.57 179.42 3n3u h GLY 3706N 0.47 0.87 0.99 2.17 0.00 -0.76 0.47 103.07 107.28 3n3u h GLY 3706Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3n3u h GLY 3706CO -0.19 0.24 0.18 0.00 0.00 0.00 0.00 176.54 176.77 3n3u h ALA 3707N 1.27 0.35 -0.48 3.60 0.00 -1.06 -0.50 119.26 122.44 3n3u h ALA 3707Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3n3u h ALA 3707Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3n3u h ALA 3707CO -0.10 -0.16 0.10 -0.07 0.00 0.00 0.00 179.25 179.02 3n3u h LEU 3708N 0.36 0.75 -0.68 0.00 3.38 -0.97 -2.42 115.31 115.74 3n3u h LEU 3708Ca 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3n3u h LEU 3708Cb -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3n3u h LEU 3708CO -0.02 0.80 0.33 0.58 0.09 0.00 0.00 178.44 180.22 3n3u h VAL 3709N 0.66 1.22 0.02 1.22 2.07 -0.78 -2.22 116.25 118.46 3n3u h VAL 3709Ca 0.15 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3n3u h VAL 3709Cb 0.36 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3n3u h VAL 3709CO 0.00 0.26 -0.28 0.22 0.02 0.00 0.00 177.57 177.80 3n3u h TYR 3710N 0.94 -0.74 -0.09 1.57 5.03 -0.89 -1.29 116.97 121.49 3n3u h TYR 3710Ca 0.23 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.57 3n3u h TYR 3710Cb 0.11 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 3n3u h TYR 3710CO 0.00 -0.37 0.03 0.37 -1.32 0.00 0.00 178.16 176.87 3n3u h GLN 3711N -0.43 0.07 0.00 1.82 4.15 -1.25 -2.68 115.11 116.79 3n3u h GLN 3711Ca 0.06 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.29 3n3u h GLN 3711Cb 0.51 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3n3u h GLN 3711CO -0.22 0.04 -0.86 0.07 -1.93 0.00 0.00 178.83 175.93 3n3u h ARG 3712N 0.07 0.04 -0.57 1.69 0.11 -1.33 -0.92 114.38 113.47 3n3u h ARG 3712Ca 0.04 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 3n3u h ARG 3712Cb 0.02 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 3n3u h ARG 3712CO -0.04 0.88 0.04 -0.07 0.10 0.00 0.00 179.97 180.88 3n3u h LEU 3713N 0.02 0.92 -0.58 0.08 3.38 -1.23 0.15 115.31 118.05 3n3u h LEU 3713Ca -0.02 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 3n3u h LEU 3713Cb 1.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3n3u h LEU 3713CO 0.12 0.95 -0.33 0.40 0.09 0.00 0.00 178.44 179.67 3n3u h ILE 3714N 0.89 1.28 -0.32 1.22 2.04 -1.30 -0.70 117.51 120.62 3n3u h ILE 3714Ca 0.17 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 3n3u h ILE 3714Cb 0.47 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3n3u h ILE 3714CO 0.02 0.49 -0.19 0.00 0.00 0.00 0.00 178.15 178.47 3n3u h ALA 3715N 0.97 0.46 -0.07 1.87 0.00 -0.85 -3.28 119.26 118.36 3n3u h ALA 3715Ca 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3n3u h ALA 3715Cb 0.87 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3n3u h ALA 3715CO 0.08 0.40 -0.06 1.88 0.00 0.00 0.00 179.25 181.55 3n3u h TYR 3716N 0.46 0.19 -5.71 0.00 0.05 -0.69 -2.89 116.97 108.38 3n3u h TYR 3716Ca 0.07 -0.05 -0.32 0.00 0.05 0.00 0.00 58.73 58.47 3n3u h TYR 3716Cb 0.74 -0.04 0.15 0.00 1.01 0.00 0.00 36.73 38.59 3n3u h TYR 3716CO 0.06 0.58 -0.85 1.58 -1.05 0.00 0.00 178.16 178.48 3n3u n HIS 3717N -4.73 -2.24 0.17 4.88 -0.00 -0.27 -3.42 115.22 109.61 3n3u n HIS 3717Ca -0.07 0.81 0.02 0.00 0.46 0.00 0.00 57.72 58.94 3n3u n HIS 3717Cb 0.29 -4.26 0.31 0.00 -0.12 0.00 0.00 29.99 26.21 3n3u n HIS 3717CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3n3u h PRO 3718N -1.50 0.00 -6.45 1.57 0.11 -1.86 -3.46 132.00 120.41 3n3u h PRO 3718Ca -0.61 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.02 3n3u h PRO 3718Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 3n3u h PRO 3718CO 0.48 0.45 -0.24 -0.06 -0.21 0.00 0.00 178.00 178.42 3n3u s PHE 3719N -3.84 3.49 0.40 0.65 0.08 -1.26 -1.80 117.98 115.70 3n3u s PHE 3719Ca -0.02 0.28 0.12 0.00 0.12 0.00 0.00 56.93 57.44 3n3u s PHE 3719Cb 0.13 -1.83 0.82 0.00 -0.57 0.00 0.00 43.02 41.56 3n3u s PHE 3719CO 0.72 0.19 1.90 0.00 -0.10 0.00 0.00 175.22 177.93 3n3u h ALA 3720N 0.86 1.51 -2.96 5.36 0.00 -1.35 -3.37 119.26 119.31 3n3u h ALA 3720Ca -0.50 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.19 3n3u h ALA 3720Cb 1.22 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3n3u h ALA 3720CO 0.61 0.36 0.16 -2.00 0.00 0.00 0.00 179.25 178.38 3n3u s GLU 3721N -4.51 1.61 -0.93 0.00 2.56 -1.26 -4.92 118.70 111.24 3n3u s GLU 3721Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 54.97 54.03 3n3u s GLU 3721Cb 0.15 0.58 0.00 0.00 2.00 0.00 0.00 34.13 36.86 3n3u s GLU 3721CO 0.72 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 175.12 3n3u n GLY 3722N -0.42 0.75 0.17 -1.50 0.00 -1.26 -4.93 105.19 98.01 3n3u n GLY 3722Ca -0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 3n3u n GLY 3722CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3n3u h ASN 3723N 0.00 0.53 -0.25 1.61 4.21 -1.94 -1.73 115.58 118.01 3n3u h ASN 3723Ca -0.20 -0.36 0.01 0.00 1.21 0.00 0.00 56.30 56.96 3n3u h ASN 3723Cb 0.78 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.82 3n3u h ASN 3723CO 0.27 0.76 0.15 1.23 -1.29 0.00 0.00 177.43 178.55 3n3u h GLY 3724N 0.28 0.35 0.80 2.83 0.00 -1.95 -0.76 103.07 104.62 3n3u h GLY 3724Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.30 3n3u h GLY 3724CO 0.02 0.11 -0.05 3.21 0.00 0.00 0.00 176.54 179.83 3n3u h ARG 3725N 0.31 -0.07 -0.41 4.80 3.08 -1.96 -2.34 114.38 117.79 3n3u h ARG 3725Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3n3u h ARG 3725Cb -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3n3u h ARG 3725CO -0.04 -0.04 0.19 1.98 -1.07 0.00 0.00 179.97 180.99 3n3u h MET 3726N -0.07 0.60 -0.74 0.04 4.05 -1.20 -2.46 114.93 115.15 3n3u h MET 3726Ca 0.04 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3n3u h MET 3726Cb 0.13 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 3n3u h MET 3726CO -0.09 0.53 0.48 0.00 0.23 0.00 0.00 176.91 178.05 3n3u h ALA 3727N 1.04 0.95 -0.51 0.39 0.00 -1.07 -1.63 119.26 118.43 3n3u h ALA 3727Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3n3u h ALA 3727Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3n3u h ALA 3727CO -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.53 3n3u h ARG 3728N 0.96 0.87 -0.25 0.00 3.08 -1.23 -0.82 114.38 116.99 3n3u h ARG 3728Ca 0.28 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3n3u h ARG 3728Cb -0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3n3u h ARG 3728CO -0.08 0.88 -0.12 0.28 -1.07 0.00 0.00 179.97 179.86 3n3u h VAL 3729N 0.80 1.30 -0.30 2.04 2.07 -1.10 -1.59 116.25 119.48 3n3u h VAL 3729Ca 0.15 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3n3u h VAL 3729Cb 0.50 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3n3u h VAL 3729CO 0.03 0.37 0.12 0.40 0.02 0.00 0.00 177.57 178.51 3n3u h ILE 3730N 0.24 1.17 -0.81 4.57 2.04 -1.15 -1.15 117.51 122.42 3n3u h ILE 3730Ca 0.06 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3n3u h ILE 3730Cb 0.62 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3n3u h ILE 3730CO 0.04 0.18 0.51 0.58 0.00 0.00 0.00 178.15 179.46 3n3u h VAL 3731N 0.34 1.22 0.00 1.67 2.07 -1.15 -2.55 116.25 117.84 3n3u h VAL 3731Ca 0.10 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 3n3u h VAL 3731Cb 0.17 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3n3u h VAL 3731CO -0.01 0.22 -0.43 0.78 0.02 0.00 0.00 177.57 178.15 3n3u h ASN 3732N 1.11 0.00 -0.44 0.57 2.35 -1.02 -0.83 115.58 117.31 3n3u h ASN 3732Ca 0.30 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 3n3u h ASN 3732Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3n3u h ASN 3732CO -0.06 0.43 0.17 0.50 -1.65 0.00 0.00 177.43 176.82 3n3u h LYS 3733N 0.00 0.67 -0.30 0.81 3.64 -0.86 0.11 116.57 120.64 3n3u h LYS 3733Ca -0.00 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3n3u h LYS 3733Cb 0.91 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3n3u h LYS 3733CO 0.06 0.62 0.15 0.82 -2.27 0.00 0.00 179.45 178.83 3n3u h ILE 3734N 0.58 0.99 0.12 2.00 2.04 -1.03 -0.42 117.51 121.78 3n3u h ILE 3734Ca 0.15 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3n3u h ILE 3734Cb 0.21 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3n3u h ILE 3734CO -0.01 0.06 -0.06 -0.07 0.00 0.00 0.00 178.15 178.07 3n3u h LEU 3735N 0.31 -0.14 -1.28 1.44 3.38 -1.04 -3.17 115.31 114.81 3n3u h LEU 3735Ca 0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3n3u h LEU 3735Cb 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3n3u h LEU 3735CO -0.09 0.10 -0.13 -0.07 0.09 0.00 0.00 178.44 178.35 3n3u h LEU 3736N -0.38 0.32 -2.14 1.67 3.38 -0.70 -0.55 115.31 116.90 3n3u h LEU 3736Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3n3u h LEU 3736Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3n3u h LEU 3736CO 0.03 0.48 0.00 0.44 0.09 0.00 0.00 178.44 179.48 3n3u h ASP 3737N 0.31 0.00 -0.01 -0.43 3.32 -1.07 -1.80 116.42 116.74 3n3u h ASP 3737Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3n3u h ASP 3737Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3n3u h ASP 3737CO 0.02 0.00 -0.74 0.00 -1.72 0.00 0.00 179.24 176.80 3n3u n ALA 3738N -2.05 4.17 -0.02 3.45 0.00 -0.32 -4.97 120.51 120.79 3n3u n ALA 3738Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3n3u n ALA 3738Cb 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3n3u n ALA 3738CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3u n GLY 3739N 1.46 0.68 3.85 0.00 0.00 -0.68 -4.90 105.19 105.61 3n3u n GLY 3739Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3n3u n GLY 3739CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n3u s TYR 3740N -2.02 3.44 0.86 1.61 2.02 -0.61 -0.80 117.35 121.86 3n3u s TYR 3740Ca 0.00 1.31 -0.11 0.00 -0.37 0.00 0.00 57.07 57.90 3n3u s TYR 3740Cb 0.00 -2.65 0.11 0.00 -0.40 0.00 0.00 41.96 39.02 3n3u s TYR 3740CO 0.00 -0.23 1.09 -1.25 -1.57 0.00 0.00 175.55 173.59 3n3u s PRO 3741N -3.87 1.51 0.43 -1.71 0.04 -1.26 -3.79 135.00 126.35 3n3u s PRO 3741Ca 0.56 0.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 3n3u s PRO 3741Cb -0.10 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 3n3u s PRO 3741CO 0.29 -2.09 1.15 0.00 0.04 0.00 0.00 177.00 176.39 3n3u s ALA 3742N -2.93 3.06 0.06 8.56 0.00 -1.26 -4.77 121.76 124.48 3n3u s ALA 3742Ca 0.63 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 3n3u s ALA 3742Cb -0.18 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3n3u s ALA 3742CO 0.57 -0.54 0.56 0.12 0.00 0.00 0.00 175.76 176.47 3n3u s PHE 3743N -1.51 3.78 0.00 0.00 5.36 -1.26 -5.04 117.98 119.31 3n3u s PHE 3743Ca 0.60 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 3n3u s PHE 3743Cb -0.28 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.91 3n3u s PHE 3743CO 0.35 0.56 0.00 0.25 -1.46 0.00 0.00 175.22 174.92 3n3u n THR 3744N 1.86 0.00 -3.68 0.12 -2.24 -1.26 -4.85 114.28 104.23 3n3u n THR 3744Ca -0.10 0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3n3u n THR 3744Cb 0.51 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 3n3u n THR 3744CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3n3u s LYS 3745N -0.11 1.38 0.92 -0.78 2.20 -1.26 -4.93 119.74 117.16 3n3u s LYS 3745Ca 0.00 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 54.70 3n3u s LYS 3745Cb 0.00 0.54 0.14 0.00 -1.51 0.00 0.00 37.83 37.00 3n3u s LYS 3745CO 0.00 -0.59 1.11 -0.06 -0.36 0.00 0.00 175.35 175.45 3n3u s PHE 3746N -3.85 2.43 0.88 4.03 0.08 -1.26 -5.01 117.98 115.29 3n3u s PHE 3746Ca 0.07 0.97 -0.13 0.00 0.12 0.00 0.00 56.93 57.96 3n3u s PHE 3746Cb -0.01 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 39.19 3n3u s PHE 3746CO -0.04 -2.42 0.63 -1.13 -0.10 0.00 0.00 175.22 172.16 3n3u n SER 3747N -3.84 -1.18 0.31 1.36 3.41 -1.26 -4.71 113.62 107.71 3n3u n SER 3747Ca 0.06 0.43 0.18 0.00 -0.26 0.00 0.00 58.87 59.28 3n3u n SER 3747Cb 0.58 -1.29 0.96 0.00 -0.26 0.00 0.00 64.21 64.21 3n3u n SER 3747CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3n3u h ASP 3748N -1.29 0.00 0.00 4.04 5.19 -2.02 -2.56 116.42 119.78 3n3u h ASP 3748Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3n3u h ASP 3748Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3n3u h ASP 3748CO 0.38 0.00 -0.07 -1.84 -3.12 0.00 0.00 179.24 174.59 3n3u n GLU 3749N -3.13 1.48 -0.01 3.56 0.00 -1.26 -4.49 120.64 116.80 3n3u n GLU 3749Ca -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 57.16 55.22 3n3u n GLU 3749Cb 0.27 -1.16 -0.02 0.00 0.00 0.00 0.00 31.44 30.52 3n3u n GLU 3749CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3n3u n PHE 3750N -0.89 0.00 -0.23 -1.84 -0.00 -0.99 -4.73 117.46 108.78 3n3u n PHE 3750Ca 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.57 3n3u n PHE 3750Cb 0.53 -0.10 0.14 0.00 -0.00 0.00 0.00 39.48 40.05 3n3u n PHE 3750CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3n3u h GLU 3751N 0.00 0.21 0.00 -4.13 4.57 -1.72 0.08 114.58 113.60 3n3u h GLU 3751Ca -0.03 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3n3u h GLU 3751Cb 0.57 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3n3u h GLU 3751CO 0.00 0.14 -0.04 -1.35 -1.18 0.00 0.00 179.01 176.58 3n3u h PRO 3752N 0.22 0.00 0.00 0.92 0.11 -1.85 -3.01 132.00 128.39 3n3u h PRO 3752Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3n3u h PRO 3752Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3n3u h PRO 3752CO -0.50 0.04 0.00 1.96 -0.21 0.00 0.00 178.00 179.29 3n3u h GLN 3753N 0.00 0.00 0.00 1.05 4.20 -1.18 -3.35 115.11 115.83 3n3u h GLN 3753Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3n3u h GLN 3753Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3n3u h GLN 3753CO 0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 3n3u n ILE 3754N -3.09 0.47 -4.26 2.54 -5.35 -1.14 0.34 119.36 108.87 3n3u n ILE 3754Ca 0.03 -0.10 -0.16 0.00 -0.27 0.00 0.00 62.75 62.24 3n3u n ILE 3754Cb 0.44 -0.66 -0.10 0.00 -1.74 0.00 0.00 39.64 37.57 3n3u n ILE 3754CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3n3u s ILE 3755N -3.09 1.32 0.32 7.28 -4.36 -1.26 -4.87 121.20 116.56 3n3u s ILE 3755Ca 0.11 -1.96 -0.28 0.00 -0.26 0.00 0.00 60.65 58.26 3n3u s ILE 3755Cb 0.14 -1.76 -0.13 0.00 1.25 0.00 0.00 42.46 41.96 3n3u s ILE 3755CO 0.53 -0.60 1.14 -2.65 0.24 0.00 0.00 174.94 173.60 3n3u n PRO 3756N 0.03 1.72 -4.72 0.37 -0.02 -1.26 -4.86 135.00 126.26 3n3u n PRO 3756Ca -0.12 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 3n3u n PRO 3756Cb 0.59 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 3n3u n PRO 3756CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3n3u s GLN 3757N -1.75 3.27 0.31 -0.52 -1.52 -1.26 -3.41 119.66 114.78 3n3u s GLN 3757Ca 0.57 -0.74 0.07 0.00 -1.95 0.00 0.00 55.36 53.32 3n3u s GLN 3757Cb -0.63 -2.59 0.84 0.00 -0.22 0.00 0.00 33.01 30.41 3n3u s GLN 3757CO 0.61 0.12 1.68 1.79 -0.25 0.00 0.00 175.29 179.25 3n3u h THR 3758N 5.56 0.41 -2.91 -0.19 1.35 -1.94 -3.41 112.91 111.79 3n3u h THR 3758Ca -0.28 -0.13 -0.52 0.00 -0.55 0.00 0.00 66.41 64.93 3n3u h THR 3758Cb 1.21 0.00 0.06 0.00 -1.73 0.00 0.00 68.15 67.69 3n3u h THR 3758CO 0.55 0.07 0.94 -0.75 -0.25 0.00 0.00 175.52 176.08 3n3u s LYS 3759N -5.82 4.15 0.06 4.72 2.20 -1.26 -4.94 119.74 118.85 3n3u s LYS 3759Ca -0.11 2.53 -0.32 0.00 -0.36 0.00 0.00 55.97 57.71 3n3u s LYS 3759Cb 0.27 -3.08 -0.17 0.00 -1.51 0.00 0.00 37.83 33.34 3n3u s LYS 3759CO 0.78 -0.67 1.49 0.00 -0.36 0.00 0.00 175.35 176.59 3n3u h ALA 3760N 6.20 -1.22 -3.00 3.13 0.00 -2.06 -3.38 119.26 118.93 3n3u h ALA 3760Ca -0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3n3u h ALA 3760Cb 1.21 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3n3u h ALA 3760CO 0.90 -1.19 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 3n3u n SER 3761N -5.14 0.00 -1.72 0.00 3.41 -1.26 -4.92 113.62 103.99 3n3u n SER 3761Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3n3u n SER 3761Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3n3u n SER 3761CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3n3u n THR 3762N 0.00 -0.38 -1.70 6.66 -1.04 -1.26 -4.64 114.28 111.91 3n3u n THR 3762Ca 0.00 0.00 -0.57 0.00 -2.04 0.00 0.00 64.05 61.44 3n3u n THR 3762Cb 0.00 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 67.08 3n3u n THR 3762CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3n3u n LYS 3763N 1.93 1.23 -3.75 -2.82 5.02 -1.26 -4.93 118.16 113.58 3n3u n LYS 3763Ca 0.00 0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 56.38 3n3u n LYS 3763Cb 0.00 -2.14 -0.10 0.00 -0.02 0.00 0.00 35.03 32.76 3n3u n LYS 3763CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3n3u s SER 3764N 3.41 5.80 0.02 4.39 0.15 -1.26 -4.42 113.70 121.79 3n3u s SER 3764Ca 0.97 0.03 -0.23 0.00 0.70 0.00 0.00 55.95 57.42 3n3u s SER 3764Cb -1.04 -2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 61.18 3n3u s SER 3764CO 0.64 0.06 0.68 0.00 1.20 0.00 0.00 173.24 175.82 3n3u s ALA 3765N 1.09 3.43 0.79 5.45 0.00 0.15 -5.03 121.76 127.64 3n3u s ALA 3765Ca 0.06 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 3n3u s ALA 3765Cb -0.14 -2.87 0.07 0.00 0.00 0.00 0.00 23.12 20.18 3n3u s ALA 3765CO 0.04 0.12 1.14 -0.08 0.00 0.00 0.00 175.76 176.98 3n3u s THR 3766N -0.15 2.60 0.18 0.00 -1.32 -1.26 -4.67 115.64 111.02 3n3u s THR 3766Ca 0.35 0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 60.89 3n3u s THR 3766Cb -0.19 -3.13 0.07 0.00 -1.51 0.00 0.00 72.50 67.73 3n3u s THR 3766CO 0.20 -0.26 1.76 -1.28 -2.21 0.00 0.00 174.62 172.84 3n3u h SER 3767N -0.99 0.25 -0.65 8.08 0.87 -1.68 -0.29 113.55 119.14 3n3u h SER 3767Ca -0.46 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 3n3u h SER 3767Cb 1.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 3n3u h SER 3767CO 0.64 0.18 0.20 0.28 -0.53 0.00 0.00 176.83 177.60 3n3u h SER 3768N 0.40 0.96 -0.30 6.23 0.02 -1.88 -1.74 113.55 117.24 3n3u h SER 3768Ca 0.22 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3n3u h SER 3768Cb 0.18 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3n3u h SER 3768CO -0.19 0.92 0.04 -0.33 -1.14 0.00 0.00 176.83 176.12 3n3u h GLU 3769N 0.95 0.60 -0.44 3.45 5.08 -1.80 -0.67 114.58 121.75 3n3u h GLU 3769Ca 0.21 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3n3u h GLU 3769Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3n3u h GLU 3769CO -0.01 0.60 -0.16 0.28 -1.00 0.00 0.00 179.01 178.72 3n3u h VAL 3770N 0.58 1.27 -0.26 3.13 2.07 -0.68 -1.65 116.25 120.72 3n3u h VAL 3770Ca 0.13 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3n3u h VAL 3770Cb 0.31 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3n3u h VAL 3770CO 0.01 0.44 0.07 0.58 0.02 0.00 0.00 177.57 178.69 3n3u h VAL 3771N 0.71 1.21 -0.37 2.57 2.07 -0.92 0.70 116.25 122.21 3n3u h VAL 3771Ca 0.10 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3n3u h VAL 3771Cb 0.72 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3n3u h VAL 3771CO 0.05 0.22 0.17 0.58 0.02 0.00 0.00 177.57 178.61 3n3u h VAL 3772N 0.25 0.96 -0.59 2.57 2.07 -1.10 -0.21 116.25 120.20 3n3u h VAL 3772Ca 0.08 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3n3u h VAL 3772Cb 0.26 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3n3u h VAL 3772CO -0.00 0.07 -0.03 -0.08 0.02 0.00 0.00 177.57 177.54 3n3u h GLU 3773N 0.36 1.05 -0.35 1.57 4.57 -1.17 -1.19 114.58 119.42 3n3u h GLU 3773Ca 0.16 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3n3u h GLU 3773Cb 0.09 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3n3u h GLU 3773CO -0.13 1.04 0.21 0.35 -1.18 0.00 0.00 179.01 179.30 3n3u h PHE 3774N 0.95 0.39 -0.66 0.92 3.57 -0.45 0.56 116.94 122.22 3n3u h PHE 3774Ca 0.16 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3n3u h PHE 3774Cb 0.59 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3n3u h PHE 3774CO 0.04 0.23 0.20 -0.07 -2.23 0.00 0.00 178.31 176.48 3n3u h LEU 3775N 0.43 0.97 -0.26 0.59 3.38 -0.86 -0.65 115.31 118.90 3n3u h LEU 3775Ca 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3n3u h LEU 3775Cb -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3n3u h LEU 3775CO -0.06 0.93 0.15 0.11 0.09 0.00 0.00 178.44 179.65 3n3u h LYS 3776N 0.97 0.37 -0.76 1.13 1.57 -0.90 -0.47 116.57 118.47 3n3u h LYS 3776Ca 0.21 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3n3u h LYS 3776Cb 0.31 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3n3u h LYS 3776CO -0.00 0.32 0.50 0.93 -0.57 0.00 0.00 179.45 180.62 3n3u h GLU 3777N 0.32 1.01 -0.29 3.15 4.39 -0.63 -2.59 114.58 119.94 3n3u h GLU 3777Ca 0.09 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 3n3u h GLU 3777Cb 0.06 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3n3u h GLU 3777CO -0.02 0.68 -0.51 1.25 -1.16 0.00 0.00 179.01 179.25 3n3u h LEU 3778N 1.04 0.91 -1.28 1.33 5.85 -0.79 -2.92 115.31 119.44 3n3u h LEU 3778Ca 0.28 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3n3u h LEU 3778Cb -0.11 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.66 3n3u h LEU 3778CO -0.06 1.25 0.00 0.00 -0.34 0.00 0.00 178.44 179.29 3n3u h ALA 3779N 0.77 1.00 -0.01 1.25 0.00 -0.70 -1.28 119.26 120.29 3n3u h ALA 3779Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n3u h ALA 3779Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3n3u h ALA 3779CO 0.11 0.00 -0.16 1.63 0.00 0.00 0.00 179.25 180.83 3n3u n LYS 3780N -2.47 0.81 -0.33 0.00 5.02 -1.10 -4.30 118.16 115.79 3n3u n LYS 3780Ca 0.00 -0.38 -0.04 0.00 -2.02 0.00 0.00 58.31 55.87 3n3u n LYS 3780Cb 0.17 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 3n3u n LYS 3780CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3n3u h LYS 3781N 0.93 1.24 0.81 1.97 1.79 -1.32 -3.14 116.57 118.85 3n3u h LYS 3781Ca 0.00 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 3n3u h LYS 3781Cb 0.42 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3n3u h LYS 3781CO 0.00 0.88 -0.46 0.78 -1.08 0.00 0.00 179.45 179.57 3n3u h GLY 3782N 1.25 -1.31 0.00 3.86 0.00 -1.80 -3.53 103.07 101.55 3n3u h GLY 3782Ca 0.32 0.52 0.00 0.00 0.00 0.00 0.00 47.33 48.17 3n3u h GLY 3782CO -0.06 -0.45 0.00 1.44 0.00 0.00 0.00 176.54 177.47