#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy n PHE 4018N 0.00 0.00 0.31 1.39 3.01 -1.26 -4.81 117.46 116.10 1vsy n PHE 4018Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1vsy n PHE 4018Cb 0.00 0.00 0.50 0.00 -0.01 0.00 0.00 39.48 39.97 1vsy n PHE 4018CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1vsy h GLN 4019N 0.00 0.00 0.01 -1.08 1.08 -2.03 -2.44 115.11 110.66 1vsy h GLN 4019Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1vsy h GLN 4019Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1vsy h GLN 4019CO 0.00 0.00 -0.32 0.28 -0.95 0.00 0.00 178.83 177.84 1vsy h VAL 4020N 0.00 0.30 -0.51 -0.54 2.07 -1.99 -2.74 116.25 112.85 1vsy h VAL 4020Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1vsy h VAL 4020Cb 1.09 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1vsy h VAL 4020CO 0.00 0.00 0.34 -0.33 0.02 0.00 0.00 177.57 177.60 1vsy h GLU 4021N -0.48 0.47 -0.24 1.57 4.39 -1.85 -2.12 114.58 116.32 1vsy h GLU 4021Ca 0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1vsy h GLU 4021Cb 0.56 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1vsy h GLU 4021CO -0.26 0.31 0.11 1.88 -1.16 0.00 0.00 179.01 179.89 1vsy h TYR 4022N 0.48 0.35 -0.45 4.33 -1.99 -1.66 -2.64 116.97 115.40 1vsy h TYR 4022Ca 0.22 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1vsy h TYR 4022Cb 0.26 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1vsy h TYR 4022CO -0.00 0.35 0.29 0.00 -0.00 0.00 0.00 178.16 178.79 1vsy h ALA 4023N 0.97 0.57 0.00 3.88 0.00 -1.30 0.12 119.26 123.49 1vsy h ALA 4023Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vsy h ALA 4023Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vsy h ALA 4023CO -0.01 0.03 0.36 1.25 0.00 0.00 0.00 179.25 180.88 1vsy h LEU 4024N 0.60 0.00 -0.12 0.00 5.85 -1.18 0.43 115.31 120.89 1vsy h LEU 4024Ca 0.16 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1vsy h LEU 4024Cb -0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1vsy h LEU 4024CO -0.03 0.00 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.40 1vsy h GLU 4025N 0.00 0.45 -0.67 1.25 4.39 -0.61 -3.23 114.58 116.15 1vsy h GLU 4025Ca 0.00 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.39 1vsy h GLU 4025Cb 0.71 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1vsy h GLU 4025CO 0.00 0.93 0.44 0.00 -1.16 0.00 0.00 179.01 179.23 1vsy h ALA 4026N 0.51 1.54 -0.33 3.43 0.00 -0.13 -0.97 119.26 123.32 1vsy h ALA 4026Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1vsy h ALA 4026Cb 0.96 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1vsy h ALA 4026CO 0.07 0.42 -0.23 0.28 0.00 0.00 0.00 179.25 179.80 1vsy h VAL 4027N 0.89 0.00 -0.85 0.00 2.07 -1.53 -2.08 116.25 114.75 1vsy h VAL 4027Ca 0.25 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.90 1vsy h VAL 4027Cb -0.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.55 1vsy h VAL 4027CO -0.06 0.00 -0.34 0.29 0.02 0.00 0.00 177.57 177.49 1vsy n LYS 4028N -3.84 -0.20 0.15 1.57 5.02 -0.38 -1.16 118.16 119.32 1vsy n LYS 4028Ca 0.00 1.31 0.13 0.00 -2.02 0.00 0.00 58.31 57.73 1vsy n LYS 4028Cb 0.11 -1.95 0.52 0.00 -0.02 0.00 0.00 35.03 33.69 1vsy n LYS 4028CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1vsy h ARG 4029N 0.00 0.00 -7.08 1.97 -0.00 -1.25 -1.81 114.38 106.21 1vsy h ARG 4029Ca 0.29 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.81 1vsy h ARG 4029Cb 0.51 0.00 0.06 0.00 -0.00 0.00 0.00 29.97 30.53 1vsy h ARG 4029CO -0.85 0.00 0.13 0.20 -0.00 0.00 0.00 179.97 179.46 1vsy s GLY 4030N -3.64 1.64 -0.21 0.08 0.00 -0.31 -4.81 107.32 100.08 1vsy s GLY 4030Ca 0.04 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 1vsy s GLY 4030CO 0.42 -0.55 0.74 -1.30 0.00 0.00 0.00 173.10 172.40 1vsy n THR 4031N -2.57 0.00 -2.42 0.90 -2.24 -1.26 -2.91 114.28 103.77 1vsy n THR 4031Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1vsy n THR 4031Cb 0.58 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1vsy n THR 4031CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy s ALA 4033N -0.25 1.23 0.28 0.00 0.00 -0.75 -2.85 121.76 119.43 1vsy s ALA 4033Ca 0.51 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1vsy s ALA 4033Cb -0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1vsy s ALA 4033CO 0.37 0.19 0.13 0.54 0.00 0.00 0.00 175.76 176.99 1vsy s VAL 4034N 0.25 0.42 -0.11 0.00 0.11 0.51 -0.92 120.40 120.66 1vsy s VAL 4034Ca -0.06 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.68 1vsy s VAL 4034Cb -0.12 -2.56 0.10 0.00 -1.53 0.00 0.00 36.38 32.28 1vsy s VAL 4034CO 0.02 0.00 0.86 -0.83 -3.33 0.00 0.00 175.10 171.82 1vsy s GLY 4035N -3.35 -0.41 -0.20 6.54 0.00 -0.52 -2.51 107.32 106.88 1vsy s GLY 4035Ca 0.36 1.71 -0.05 0.00 0.00 0.00 0.00 44.72 46.75 1vsy s GLY 4035CO 0.16 1.00 0.36 0.14 0.00 0.00 0.00 173.10 174.75 1vsy s VAL 4036N -1.15 -0.57 0.77 1.40 1.01 -0.49 -2.14 120.40 119.23 1vsy s VAL 4036Ca -0.06 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1vsy s VAL 4036Cb -0.00 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1vsy s VAL 4036CO 0.05 -0.01 1.09 -0.75 0.00 0.00 0.00 175.10 175.48 1vsy s LYS 4037N 2.53 2.28 0.30 2.72 2.20 -0.94 -2.75 119.74 126.08 1vsy s LYS 4037Ca 0.05 1.20 0.05 0.00 -0.36 0.00 0.00 55.97 56.91 1vsy s LYS 4037Cb -0.14 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.27 1vsy s LYS 4037CO -0.13 -1.63 0.29 0.41 -0.36 0.00 0.00 175.35 173.93 1vsy n GLY 4038N -1.12 2.86 0.25 5.54 0.00 -0.62 -4.71 105.19 107.39 1vsy n GLY 4038Ca 0.09 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 1vsy n GLY 4038CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vsy h LYS 4039N 0.00 0.44 -0.08 1.61 3.64 -1.72 -3.37 116.57 117.09 1vsy h LYS 4039Ca -0.22 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 58.87 1vsy h LYS 4039Cb 1.07 -0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.70 1vsy h LYS 4039CO 0.31 0.55 -0.39 0.27 -2.27 0.00 0.00 179.45 177.92 1vsy n ASN 4040N -4.24 -2.60 0.00 4.20 6.94 -1.26 -4.89 115.26 113.41 1vsy n ASN 4040Ca 0.01 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 1vsy n ASN 4040Cb 0.29 1.58 0.00 0.00 -2.36 0.00 0.00 39.78 39.30 1vsy n ASN 4040CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vsy s VAL 4042N -2.00 0.12 -0.01 0.00 1.01 -0.91 -1.59 120.40 117.02 1vsy s VAL 4042Ca 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1vsy s VAL 4042Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1vsy s VAL 4042CO 0.00 -0.57 0.09 -0.69 0.00 0.00 0.00 175.10 173.93 1vsy s VAL 4043N -2.66 0.05 0.00 2.92 1.01 -1.11 -2.25 120.40 118.35 1vsy s VAL 4043Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1vsy s VAL 4043Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1vsy s VAL 4043CO -0.05 -0.22 0.00 0.18 0.00 0.00 0.00 175.10 175.01 1vsy n LEU 4044N 2.22 0.00 0.00 3.92 4.77 -1.14 -1.40 117.00 125.37 1vsy n LEU 4044Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1vsy n LEU 4044Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1vsy n LEU 4044CO 0.22 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1vsy n GLY 4045N 5.00 2.25 0.00 -0.72 0.00 -1.04 -4.12 105.19 106.56 1vsy n GLY 4045Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vsy n GLY 4045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy n GLU 4047N -0.56 -1.20 0.00 0.00 4.07 -1.13 -3.93 120.64 117.89 1vsy n GLU 4047Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1vsy n GLU 4047Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1vsy n GLU 4047CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1vsy n ARG 4048N 0.00 0.62 -1.71 5.31 0.63 -1.23 -3.69 116.66 116.58 1vsy n ARG 4048Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1vsy n ARG 4048Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1vsy n ARG 4048CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1vsy s ARG 4049N 1.22 1.66 0.00 -0.14 6.06 -1.26 -4.71 118.95 121.78 1vsy s ARG 4049Ca 0.00 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.02 1vsy s ARG 4049Cb 0.00 -4.96 0.00 0.00 0.06 0.00 0.00 34.95 30.05 1vsy s ARG 4049CO 0.00 -4.70 0.00 0.43 -2.50 0.00 0.00 175.30 168.53 1vsy n SER 4050N 17.97 0.00 -3.64 -2.12 7.64 -1.25 -4.16 113.62 128.05 1vsy n SER 4050Ca 0.43 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.25 1vsy n SER 4050Cb 0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1vsy n SER 4050CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vsy s THR 4051N 0.00 -0.04 -1.22 0.44 2.01 -1.26 -5.03 115.64 110.53 1vsy s THR 4051Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1vsy s THR 4051Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1vsy s THR 4051CO 0.00 0.00 2.52 0.18 -0.69 0.00 0.00 174.62 176.63 1vsy n LEU 4052N 4.29 6.68 0.00 4.42 4.77 -1.26 -4.75 117.00 131.15 1vsy n LEU 4052Ca -0.20 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.22 1vsy n LEU 4052Cb 0.58 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1vsy n LEU 4052CO -0.02 1.30 0.00 0.29 -1.33 0.00 0.00 177.39 177.63 1vsy n LYS 4053N 3.88 0.00 -0.33 3.23 4.76 -1.26 -3.87 118.16 124.57 1vsy n LYS 4053Ca 0.60 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 56.15 1vsy n LYS 4053Cb 0.19 0.00 0.29 0.00 -1.84 0.00 0.00 35.03 33.67 1vsy n LYS 4053CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1vsy n LEU 4054N 0.00 3.79 -4.88 -0.35 7.94 -1.26 -4.97 117.00 117.27 1vsy n LEU 4054Ca 0.00 -1.94 -0.30 0.00 -1.11 0.00 0.00 56.01 52.66 1vsy n LEU 4054Cb 0.00 -0.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 1vsy n LEU 4054CO 0.00 0.93 0.34 0.00 -1.11 0.00 0.00 177.39 177.56 1vsy s GLN 4055N -1.06 3.78 -0.11 1.96 -2.07 -1.25 -5.02 119.66 115.90 1vsy s GLN 4055Ca 0.45 0.36 -0.29 0.00 -1.82 0.00 0.00 55.36 54.05 1vsy s GLN 4055Cb 0.24 -2.50 -0.03 0.00 -1.09 0.00 0.00 33.01 29.63 1vsy s GLN 4055CO 0.31 0.11 1.40 0.34 -1.32 0.00 0.00 175.29 176.14 1vsy s ASP 4056N -2.90 6.85 0.04 12.60 3.68 -1.26 -4.92 116.67 130.76 1vsy s ASP 4056Ca 0.49 1.92 -0.17 0.00 2.13 0.00 0.00 52.55 56.92 1vsy s ASP 4056Cb -0.11 -2.54 -0.23 0.00 -1.45 0.00 0.00 42.92 38.60 1vsy s ASP 4056CO 0.27 -0.81 1.15 0.71 0.13 0.00 0.00 175.17 176.63 1vsy h THR 4057N 5.45 1.35 -0.43 1.71 1.35 -1.98 -3.38 112.91 116.98 1vsy h THR 4057Ca -0.32 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1vsy h THR 4057Cb 1.14 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 1vsy h THR 4057CO 0.96 0.64 0.00 -2.11 -0.25 0.00 0.00 175.52 174.76 1vsy n ARG 4058N -4.05 2.20 0.00 4.72 0.00 -1.26 -4.35 116.66 113.91 1vsy n ARG 4058Ca -0.10 -1.63 0.00 0.00 -0.00 0.00 0.00 57.85 56.12 1vsy n ARG 4058Cb 0.77 -1.43 0.00 0.00 -0.00 0.00 0.00 32.46 31.80 1vsy n ARG 4058CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1vsy n ILE 4059N 0.74 0.05 -1.98 8.89 -5.35 -1.26 -4.75 119.36 115.70 1vsy n ILE 4059Ca 0.15 -0.30 0.03 0.00 -0.27 0.00 0.00 62.75 62.36 1vsy n ILE 4059Cb 0.43 1.38 0.04 0.00 -1.74 0.00 0.00 39.64 39.76 1vsy n ILE 4059CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1vsy n THR 4060N -0.02 0.42 -0.28 7.28 -1.04 -1.26 -4.94 114.28 114.45 1vsy n THR 4060Ca 0.00 -0.83 -0.06 0.00 -2.04 0.00 0.00 64.05 61.12 1vsy n THR 4060Cb 0.13 0.48 -0.02 0.00 -1.82 0.00 0.00 70.33 69.10 1vsy n THR 4060CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1vsy n PRO 4061N -0.14 0.69 -2.29 -2.82 -0.02 -1.26 -4.55 135.00 124.61 1vsy n PRO 4061Ca 0.05 -0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 60.55 1vsy n PRO 4061Cb 0.81 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1vsy n PRO 4061CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vsy n SER 4062N 3.84 7.05 0.05 2.55 3.41 -1.26 -4.85 113.62 124.41 1vsy n SER 4062Ca 0.15 -3.77 -0.02 0.00 -0.26 0.00 0.00 58.87 54.97 1vsy n SER 4062Cb 0.13 -1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 1vsy n SER 4062CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1vsy h LYS 4063N 3.40 -0.11 -5.95 4.33 1.57 -1.91 -3.42 116.57 114.48 1vsy h LYS 4063Ca 0.51 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.70 1vsy h LYS 4063Cb 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1vsy h LYS 4063CO 1.26 -0.07 -0.17 0.08 -0.57 0.00 0.00 179.45 179.97 1vsy s VAL 4064N -3.02 5.04 -0.17 0.50 1.01 -1.26 -4.69 120.40 117.81 1vsy s VAL 4064Ca -0.02 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1vsy s VAL 4064Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1vsy s VAL 4064CO 0.05 0.51 -0.03 -0.44 0.00 0.00 0.00 175.10 175.19 1vsy s SER 4065N -0.63 4.77 0.01 3.32 0.01 -0.45 -4.92 113.70 115.81 1vsy s SER 4065Ca 0.24 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.05 1vsy s SER 4065Cb -0.16 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 1vsy s SER 4065CO 0.13 0.14 1.24 -0.75 0.41 0.00 0.00 173.24 174.41 1vsy s LYS 4066N 0.53 4.37 -0.25 12.44 2.20 -1.26 -1.35 119.74 136.42 1vsy s LYS 4066Ca -0.03 1.77 -0.11 0.00 -0.36 0.00 0.00 55.97 57.24 1vsy s LYS 4066Cb -0.14 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.60 1vsy s LYS 4066CO 0.03 -0.39 -0.32 -0.89 -0.36 0.00 0.00 175.35 173.42 1vsy n ILE 4067N 4.31 1.38 -3.69 5.43 2.08 0.12 -4.95 119.36 124.04 1vsy n ILE 4067Ca 0.10 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1vsy n ILE 4067Cb 0.46 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.55 1vsy n ILE 4067CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1vsy n ASP 4068N -4.05 0.90 0.00 4.38 -0.08 -1.07 -4.63 116.55 112.00 1vsy n ASP 4068Ca -0.49 -0.69 0.10 0.00 -1.51 0.00 0.00 54.79 52.20 1vsy n ASP 4068Cb 0.86 0.00 0.46 0.00 2.34 0.00 0.00 41.12 44.78 1vsy n ASP 4068CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1vsy n SER 4069N -1.45 0.00 0.00 1.67 3.41 -1.26 -3.48 113.62 112.50 1vsy n SER 4069Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1vsy n SER 4069Cb 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1vsy n SER 4069CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vsy n HIS 4070N -1.47 0.00 -3.93 7.33 1.44 -1.26 -4.23 115.22 113.10 1vsy n HIS 4070Ca 0.06 -0.12 -0.16 0.00 -2.01 0.00 0.00 57.72 55.48 1vsy n HIS 4070Cb 0.24 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.18 1vsy n HIS 4070CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1vsy s VAL 4071N -0.24 0.15 0.37 0.61 1.01 -1.23 -3.53 120.40 117.55 1vsy s VAL 4071Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1vsy s VAL 4071Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 1vsy s VAL 4071CO 0.00 0.12 0.04 0.68 0.00 0.00 0.00 175.10 175.95 1vsy s VAL 4072N 0.85 1.44 -0.30 2.92 -7.23 -0.90 0.13 120.40 117.31 1vsy s VAL 4072Ca -0.08 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 1vsy s VAL 4072Cb -0.12 -2.81 0.15 0.00 0.56 0.00 0.00 36.38 34.17 1vsy s VAL 4072CO -0.02 0.00 0.78 -0.22 -0.31 0.00 0.00 175.10 175.34 1vsy s LEU 4073N -3.60 -0.94 0.36 1.32 0.20 -0.46 -2.18 118.68 113.38 1vsy s LEU 4073Ca 0.33 1.18 0.08 0.00 0.69 0.00 0.00 54.13 56.42 1vsy s LEU 4073Cb 0.08 2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 47.83 1vsy s LEU 4073CO 0.16 -0.18 0.19 -0.94 -0.29 0.00 0.00 176.35 175.29 1vsy s SER 4074N 2.74 4.73 0.03 3.68 1.04 -0.55 -1.34 113.70 124.03 1vsy s SER 4074Ca -0.02 -0.80 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 1vsy s SER 4074Cb -0.10 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.35 1vsy s SER 4074CO -0.18 -0.39 0.29 0.72 0.98 0.00 0.00 173.24 174.66 1vsy s PHE 4075N -2.45 -0.11 -0.15 5.02 -0.12 -1.26 -0.02 117.98 118.88 1vsy s PHE 4075Ca 0.40 0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 57.31 1vsy s PHE 4075Cb -0.02 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 1vsy s PHE 4075CO 0.24 -0.46 -0.14 -1.12 -0.05 0.00 0.00 175.22 173.69 1vsy s SER 4076N -1.85 3.81 0.00 1.98 0.01 -0.12 -4.72 113.70 112.82 1vsy s SER 4076Ca -0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1vsy s SER 4076Cb -0.02 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1vsy s SER 4076CO -0.01 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1vsy n GLY 4077N 3.96 0.31 3.61 3.44 0.00 -1.26 -1.93 105.19 113.33 1vsy n GLY 4077Ca -0.19 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1vsy n GLY 4077CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsy s LEU 4078N 0.00 3.58 0.40 0.99 1.43 -0.69 -4.44 118.68 119.95 1vsy s LEU 4078Ca 0.00 1.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.98 1vsy s LEU 4078Cb 0.00 -3.52 0.86 0.00 0.03 0.00 0.00 46.19 43.56 1vsy s LEU 4078CO 0.00 -1.77 2.01 0.78 0.23 0.00 0.00 176.35 177.60 1vsy h ASN 4079N 13.83 0.51 0.26 2.29 2.35 -1.97 -1.04 115.58 131.80 1vsy h ASN 4079Ca -0.39 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1vsy h ASN 4079Cb 1.22 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1vsy h ASN 4079CO 0.98 0.34 0.00 0.00 -1.65 0.00 0.00 177.43 177.10 1vsy n ALA 4080N -2.48 2.23 -0.06 -0.83 0.00 -1.26 -3.06 120.51 115.05 1vsy n ALA 4080Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1vsy n ALA 4080Cb 0.18 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 1vsy n ALA 4080CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vsy n ASP 4081N -1.17 2.19 0.01 0.00 -0.08 -0.42 -4.44 116.55 112.62 1vsy n ASP 4081Ca 0.13 -0.01 -0.11 0.00 -1.51 0.00 0.00 54.79 53.30 1vsy n ASP 4081Cb 0.14 0.71 -0.05 0.00 2.34 0.00 0.00 41.12 44.25 1vsy n ASP 4081CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1vsy h SER 4082N 0.00 -0.08 -1.05 1.67 4.64 -1.40 -3.04 113.55 114.29 1vsy h SER 4082Ca -0.32 0.02 0.30 0.00 -0.47 0.00 0.00 61.79 61.33 1vsy h SER 4082Cb 1.70 0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 63.72 1vsy h SER 4082CO 0.01 -0.03 0.64 0.03 -0.87 0.00 0.00 176.83 176.61 1vsy h ARG 4083N -0.00 0.38 0.00 4.77 3.08 -1.78 0.96 114.38 121.79 1vsy h ARG 4083Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1vsy h ARG 4083Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1vsy h ARG 4083CO -0.08 0.25 -0.09 0.82 -1.07 0.00 0.00 179.97 179.80 1vsy h ILE 4084N 0.39 0.26 0.00 2.04 5.03 -1.79 -2.33 117.51 121.11 1vsy h ILE 4084Ca 0.68 -0.65 -0.12 0.00 -0.12 0.00 0.00 64.86 64.65 1vsy h ILE 4084Cb 1.61 1.51 -0.02 0.00 -3.03 0.00 0.00 36.82 36.90 1vsy h ILE 4084CO -0.46 0.09 -0.73 -0.07 -0.68 0.00 0.00 178.15 176.29 1vsy h LEU 4085N 0.00 0.00 0.00 1.44 3.38 0.77 -3.14 115.31 117.77 1vsy h LEU 4085Ca -0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1vsy h LEU 4085Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1vsy h LEU 4085CO 0.01 1.18 0.03 -0.38 0.09 0.00 0.00 178.44 179.38 1vsy n ILE 4086N -4.53 0.96 -0.07 1.22 5.41 -0.07 -1.40 119.36 120.88 1vsy n ILE 4086Ca -0.20 0.27 -0.07 0.00 1.00 0.00 0.00 62.75 63.74 1vsy n ILE 4086Cb 0.52 -1.27 -0.02 0.00 -0.71 0.00 0.00 39.64 38.15 1vsy n ILE 4086CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1vsy n GLU 4087N -1.21 0.44 -0.07 0.38 4.07 -0.89 -3.50 120.64 119.85 1vsy n GLU 4087Ca 0.00 0.17 0.25 0.00 -0.06 0.00 0.00 57.16 57.52 1vsy n GLU 4087Cb 0.03 -1.26 0.58 0.00 -0.06 0.00 0.00 31.44 30.72 1vsy n GLU 4087CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1vsy h LYS 4088N -0.82 0.00 0.00 5.31 1.57 -1.38 0.45 116.57 121.70 1vsy h LYS 4088Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1vsy h LYS 4088Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1vsy h LYS 4088CO 0.00 0.00 -0.85 0.00 -0.57 0.00 0.00 179.45 178.03 1vsy h ALA 4089N 0.95 0.16 -0.42 3.86 0.00 -1.45 -2.75 119.26 119.61 1vsy h ALA 4089Ca 0.36 -0.91 0.12 0.00 0.00 0.00 0.00 54.91 54.48 1vsy h ALA 4089Cb 2.11 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 20.42 1vsy h ALA 4089CO -0.00 0.51 0.61 0.00 0.00 0.00 0.00 179.25 180.37 1vsy h ARG 4090N -1.00 0.00 0.00 0.00 3.08 -1.04 -0.19 114.38 115.23 1vsy h ARG 4090Ca -0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1vsy h ARG 4090Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1vsy h ARG 4090CO -0.13 0.00 -0.59 0.28 -1.07 0.00 0.00 179.97 178.46 1vsy h VAL 4091N 0.00 0.53 0.00 2.04 2.07 -1.13 -3.28 116.25 116.48 1vsy h VAL 4091Ca 0.20 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1vsy h VAL 4091Cb 1.41 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1vsy h VAL 4091CO -0.00 0.18 0.13 -0.08 0.02 0.00 0.00 177.57 177.82 1vsy h GLU 4092N -1.00 0.00 -0.41 1.57 4.57 -1.14 0.20 114.58 118.38 1vsy h GLU 4092Ca -0.11 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 1vsy h GLU 4092Cb 0.74 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1vsy h GLU 4092CO -0.07 0.00 -0.23 0.00 -1.18 0.00 0.00 179.01 177.53 1vsy h ALA 4093N 1.73 0.82 0.05 2.92 0.00 -1.14 -1.86 119.26 121.78 1vsy h ALA 4093Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1vsy h ALA 4093Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1vsy h ALA 4093CO 0.00 0.64 -0.66 1.96 0.00 0.00 0.00 179.25 181.20 1vsy h GLN 4094N 0.72 0.11 0.00 0.00 1.08 -0.94 -3.20 115.11 112.87 1vsy h GLN 4094Ca 0.09 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1vsy h GLN 4094Cb 0.76 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1vsy h GLN 4094CO 0.06 1.09 0.00 0.45 -0.95 0.00 0.00 178.83 179.48 1vsy n SER 4095N -4.35 0.00 -0.10 1.46 2.88 0.46 -0.63 113.62 113.35 1vsy n SER 4095Ca -0.18 0.03 -0.22 0.00 -1.33 0.00 0.00 58.87 57.18 1vsy n SER 4095Cb 0.67 -0.12 -0.12 0.00 -0.75 0.00 0.00 64.21 63.89 1vsy n SER 4095CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1vsy n HIS 4096N -1.12 0.42 0.28 0.66 -0.00 -0.70 -3.67 115.22 111.09 1vsy n HIS 4096Ca 0.02 0.12 0.18 0.00 -0.00 0.00 0.00 57.72 58.04 1vsy n HIS 4096Cb 0.02 -1.05 0.96 0.00 -0.00 0.00 0.00 29.99 29.92 1vsy n HIS 4096CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vsy h ARG 4097N -0.36 0.00 0.04 1.57 3.08 -0.86 -2.01 114.38 115.84 1vsy h ARG 4097Ca -0.55 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.16 1vsy h ARG 4097Cb 1.78 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.79 1vsy h ARG 4097CO -0.15 0.00 -2.06 -0.11 -1.07 0.00 0.00 179.97 176.58 1vsy n LEU 4098N -3.50 1.65 -0.66 3.04 7.94 -0.06 -1.72 117.00 123.68 1vsy n LEU 4098Ca -0.01 0.18 0.08 0.00 -1.11 0.00 0.00 56.01 55.14 1vsy n LEU 4098Cb 0.20 -0.37 0.09 0.00 0.53 0.00 0.00 43.42 43.87 1vsy n LEU 4098CO 0.24 0.66 0.53 0.35 -1.11 0.00 0.00 177.39 178.05 1vsy n THR 4099N -3.17 0.15 -0.94 1.96 -2.24 -1.15 -4.46 114.28 104.43 1vsy n THR 4099Ca -0.30 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1vsy n THR 4099Cb 1.06 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.49 1vsy n THR 4099CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vsy n LEU 4100N 0.88 0.00 -3.19 3.22 7.99 -0.77 -5.06 117.00 120.07 1vsy n LEU 4100Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.79 1vsy n LEU 4100Cb 0.41 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.74 1vsy n LEU 4100CO 0.10 0.05 -0.23 1.21 -1.51 0.00 0.00 177.39 177.01 1vsy n GLU 4101N 0.00 -1.56 0.00 3.23 2.13 -0.70 -4.96 120.64 118.78 1vsy n GLU 4101Ca 0.00 1.09 0.00 0.00 0.66 0.00 0.00 57.16 58.91 1vsy n GLU 4101Cb 0.13 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.14 1vsy n GLU 4101CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1vsy n ASP 4102N -0.35 0.00 -4.50 4.31 8.00 -1.25 -5.01 116.55 117.75 1vsy n ASP 4102Ca -0.11 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.98 1vsy n ASP 4102Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1vsy n ASP 4102CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1vsy n PRO 4103N 0.00 0.77 -1.72 -0.24 -0.02 -1.26 -4.08 135.00 128.44 1vsy n PRO 4103Ca 0.00 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 1vsy n PRO 4103Cb 0.00 -1.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1vsy n PRO 4103CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1vsy n VAL 4104N -0.81 3.00 -3.03 -1.45 0.24 -1.26 -4.82 118.33 110.19 1vsy n VAL 4104Ca 0.11 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.55 1vsy n VAL 4104Cb 0.40 -1.64 -0.06 0.00 -1.47 0.00 0.00 33.84 31.07 1vsy n VAL 4104CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vsy s THR 4105N -1.24 4.49 0.41 3.34 -4.23 -1.26 -4.72 115.64 112.43 1vsy s THR 4105Ca 0.64 1.40 0.11 0.00 -1.18 0.00 0.00 61.69 62.67 1vsy s THR 4105Cb -0.47 -3.89 0.32 0.00 1.34 0.00 0.00 72.50 69.80 1vsy s THR 4105CO 0.55 0.19 1.96 0.58 -0.54 0.00 0.00 174.62 177.36 1vsy h VAL 4106N 2.70 0.91 -0.63 2.29 2.07 -1.91 0.39 116.25 122.07 1vsy h VAL 4106Ca -0.48 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1vsy h VAL 4106Cb 1.19 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1vsy h VAL 4106CO 0.65 0.10 0.18 -0.08 0.02 0.00 0.00 177.57 178.43 1vsy h GLU 4107N 0.53 1.00 -0.17 1.57 4.81 -1.97 -2.18 114.58 118.17 1vsy h GLU 4107Ca 0.31 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1vsy h GLU 4107Cb 0.51 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1vsy h GLU 4107CO -0.10 0.89 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.79 1vsy h TYR 4108N 0.92 0.70 -0.76 0.92 5.03 -0.72 0.60 116.97 123.66 1vsy h TYR 4108Ca 0.20 -0.26 0.09 0.00 2.58 0.00 0.00 58.73 61.34 1vsy h TYR 4108Cb 0.33 -0.13 -0.07 0.00 1.55 0.00 0.00 36.73 38.41 1vsy h TYR 4108CO 0.02 1.00 0.42 1.25 -1.32 0.00 0.00 178.16 179.53 1vsy h LEU 4109N 0.20 0.59 0.21 2.82 7.12 -0.98 0.11 115.31 125.38 1vsy h LEU 4109Ca 0.00 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1vsy h LEU 4109Cb 0.96 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1vsy h LEU 4109CO 0.08 0.35 -0.10 0.74 -0.13 0.00 0.00 178.44 179.38 1vsy h THR 4110N 0.72 0.87 -0.31 1.05 2.02 -1.08 -1.55 112.91 114.65 1vsy h THR 4110Ca 0.36 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1vsy h THR 4110Cb 0.32 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1vsy h THR 4110CO -0.24 0.10 0.21 -0.09 0.37 0.00 0.00 175.52 175.88 1vsy h ARG 4111N -0.51 0.23 -0.19 6.66 2.43 0.63 -0.62 114.38 123.02 1vsy h ARG 4111Ca -0.03 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1vsy h ARG 4111Cb 0.38 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1vsy h ARG 4111CO 0.05 0.15 -0.30 -0.92 -1.51 0.00 0.00 179.97 177.44 1vsy h TYR 4112N 0.24 0.66 0.41 2.20 3.20 -0.58 -0.21 116.97 122.89 1vsy h TYR 4112Ca 0.13 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1vsy h TYR 4112Cb 0.23 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1vsy h TYR 4112CO -0.00 0.94 -0.20 0.28 -1.64 0.00 0.00 178.16 177.55 1vsy h VAL 4113N 0.19 0.60 -0.77 1.81 2.07 -0.70 -2.61 116.25 116.85 1vsy h VAL 4113Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1vsy h VAL 4113Cb 0.88 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1vsy h VAL 4113CO 0.07 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.15 1vsy h ALA 4114N 0.05 0.98 0.00 1.67 0.00 -1.19 -1.46 119.26 119.31 1vsy h ALA 4114Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vsy h ALA 4114Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vsy h ALA 4114CO 0.09 0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.53 1vsy h GLY 4115N 1.04 0.00 0.61 0.00 0.00 -0.95 -2.22 103.07 101.55 1vsy h GLY 4115Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.29 1vsy h GLY 4115CO -0.06 0.00 -1.69 -2.08 0.00 0.00 0.00 176.54 172.71 1vsy h VAL 4116N 0.00 0.85 -0.02 4.60 2.07 -0.87 -3.08 116.25 119.79 1vsy h VAL 4116Ca 0.00 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 65.14 1vsy h VAL 4116Cb 0.10 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1vsy h VAL 4116CO 0.00 0.78 0.02 1.56 0.02 0.00 0.00 177.57 179.94 1vsy h GLN 4117N -0.14 0.00 -0.26 1.57 4.20 -1.19 -2.13 115.11 117.17 1vsy h GLN 4117Ca -0.36 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.27 1vsy h GLN 4117Cb 1.90 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 1vsy h GLN 4117CO 0.07 0.00 -0.15 0.37 -0.67 0.00 0.00 178.83 178.45 1vsy h GLN 4118N 0.00 0.55 0.00 1.46 -0.00 -1.52 -2.84 115.11 112.77 1vsy h GLN 4118Ca 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 1vsy h GLN 4118Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1vsy h GLN 4118CO -0.00 0.82 0.00 -2.13 0.00 0.00 0.00 178.83 177.52 1vsy n ARG 4119N -4.44 0.69 -1.91 1.69 0.63 -0.84 -3.08 116.66 109.41 1vsy n ARG 4119Ca -0.04 0.01 -0.40 0.00 -0.92 0.00 0.00 57.85 56.51 1vsy n ARG 4119Cb 0.37 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.82 1vsy n ARG 4119CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1vsy n TYR 4120N -1.06 2.96 0.09 -0.14 4.02 -0.97 -4.33 117.16 117.72 1vsy n TYR 4120Ca 0.17 -2.32 0.00 0.00 -0.01 0.00 0.00 57.90 55.74 1vsy n TYR 4120Cb 0.11 -1.20 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 1vsy n TYR 4120CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1vsy n THR 4121N -0.52 0.00 1.44 -0.72 -2.24 -1.18 -3.06 114.28 108.01 1vsy n THR 4121Ca 0.54 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.41 1vsy n THR 4121Cb 0.24 -0.03 0.53 0.00 -2.10 0.00 0.00 70.33 68.97 1vsy n THR 4121CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy n GLN 4122N -2.88 0.72 -4.08 -0.78 10.64 -1.25 -4.07 117.38 115.68 1vsy n GLN 4122Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 1vsy n GLN 4122Cb 0.00 -1.39 -0.11 0.00 -0.86 0.00 0.00 30.24 27.88 1vsy n GLN 4122CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1vsy s SER 4123N -1.84 0.92 0.00 2.61 1.04 -1.26 -4.84 113.70 110.33 1vsy s SER 4123Ca 0.27 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1vsy s SER 4123Cb 0.12 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1vsy s SER 4123CO 0.21 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1vsy n GLY 4124N 1.25 0.25 1.23 7.32 0.00 -1.26 -3.65 105.19 110.33 1vsy n GLY 4124Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1vsy n GLY 4124CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsy n GLY 4125N 0.00 -0.21 3.37 -0.02 0.00 -1.26 -5.12 105.19 101.95 1vsy n GLY 4125Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1vsy n GLY 4125CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 4126N -2.16 1.49 0.39 1.61 1.01 -1.24 -5.10 120.40 116.40 1vsy s VAL 4126Ca 0.00 -2.12 -0.25 0.00 0.00 0.00 0.00 61.98 59.61 1vsy s VAL 4126Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1vsy s VAL 4126CO 0.00 -0.41 1.12 0.00 0.00 0.00 0.00 175.10 175.81 1vsy s ARG 4127N -3.74 4.13 0.69 2.72 1.70 -1.26 -4.15 118.95 119.04 1vsy s ARG 4127Ca 0.27 1.71 -0.06 0.00 -0.47 0.00 0.00 55.73 57.18 1vsy s ARG 4127Cb 0.03 -2.66 0.06 0.00 -0.57 0.00 0.00 34.95 31.81 1vsy s ARG 4127CO 0.09 -0.22 0.99 -2.14 -1.08 0.00 0.00 175.30 172.95 1vsy s PRO 4128N -2.31 2.22 0.22 3.89 0.02 -1.17 -4.81 135.00 133.05 1vsy s PRO 4128Ca 0.56 -0.32 -0.24 0.00 0.02 0.00 0.00 61.00 61.03 1vsy s PRO 4128Cb -0.27 -2.20 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 1vsy s PRO 4128CO 0.34 -1.20 0.80 -0.06 -0.33 0.00 0.00 177.00 176.56 1vsy s PHE 4129N -3.20 3.77 -0.39 6.54 0.08 -1.26 -4.97 117.98 118.56 1vsy s PHE 4129Ca 0.60 1.59 -0.02 0.00 0.12 0.00 0.00 56.93 59.22 1vsy s PHE 4129Cb -0.11 -2.76 0.19 0.00 -0.57 0.00 0.00 43.02 39.78 1vsy s PHE 4129CO 0.44 0.39 2.23 0.41 -0.10 0.00 0.00 175.22 178.59 1vsy n GLY 4130N 1.06 4.33 2.90 4.36 0.00 -1.26 -4.56 105.19 112.01 1vsy n GLY 4130Ca -0.03 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1vsy n GLY 4130CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 4131N -2.51 -0.00 0.06 1.61 -7.23 -1.26 -1.71 120.40 109.36 1vsy s VAL 4131Ca 0.42 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.62 1vsy s VAL 4131Cb 0.31 -0.06 -0.04 0.00 0.56 0.00 0.00 36.38 37.15 1vsy s VAL 4131CO -0.07 0.00 0.07 -0.44 -0.31 0.00 0.00 175.10 174.35 1vsy s SER 4132N 0.08 5.48 0.08 4.85 0.01 -0.81 -3.61 113.70 119.77 1vsy s SER 4132Ca -0.01 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.31 1vsy s SER 4132Cb -0.01 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 1vsy s SER 4132CO -0.00 0.20 -0.14 0.42 0.41 0.00 0.00 173.24 174.13 1vsy s THR 4133N -1.32 1.12 -0.05 1.44 -4.23 -0.71 -0.94 115.64 110.95 1vsy s THR 4133Ca 0.27 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1vsy s THR 4133Cb -0.12 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1vsy s THR 4133CO 0.19 -0.27 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.08 1vsy s LEU 4134N -1.86 2.63 -0.07 4.79 1.02 0.96 -0.27 118.68 125.88 1vsy s LEU 4134Ca -0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 1vsy s LEU 4134Cb -0.09 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1vsy s LEU 4134CO 0.02 0.33 -0.01 -0.63 0.02 0.00 0.00 176.35 176.08 1vsy s ILE 4135N -0.64 0.44 0.31 -0.59 1.01 -0.78 -1.48 121.20 119.46 1vsy s ILE 4135Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1vsy s ILE 4135Cb -0.11 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 1vsy s ILE 4135CO 0.01 0.26 0.10 0.00 0.00 0.00 0.00 174.94 175.30 1vsy s ALA 4136N 1.79 2.16 0.00 9.38 0.00 -0.93 -1.53 121.76 132.63 1vsy s ALA 4136Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1vsy s ALA 4136Cb -0.13 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1vsy s ALA 4136CO -0.05 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1vsy n GLY 4137N -0.62 2.40 3.63 0.00 0.00 -1.08 -2.12 105.19 107.39 1vsy n GLY 4137Ca -0.02 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1vsy n GLY 4137CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsy s PHE 4138N -1.72 3.22 1.05 1.61 0.40 -1.23 -2.42 117.98 118.89 1vsy s PHE 4138Ca 0.00 0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.19 1vsy s PHE 4138Cb 0.00 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.54 1vsy s PHE 4138CO 0.00 0.18 -0.13 -0.25 0.70 0.00 0.00 175.22 175.72 1vsy n ASP 4139N 3.32 -2.65 -4.72 1.36 8.00 -1.26 -4.86 116.55 115.74 1vsy n ASP 4139Ca -0.17 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 1vsy n ASP 4139Cb 0.52 -0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1vsy n ASP 4139CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1vsy s PRO 4140N -3.22 4.42 0.00 -0.24 0.04 -1.26 -4.20 135.00 130.54 1vsy s PRO 4140Ca 0.53 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1vsy s PRO 4140Cb -0.12 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1vsy s PRO 4140CO 0.68 -0.25 0.00 0.54 0.04 0.00 0.00 177.00 178.01 1vsy n ARG 4141N 3.43 0.00 -0.92 4.56 1.74 -1.26 -4.94 116.66 119.27 1vsy n ARG 4141Ca 0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 1vsy n ARG 4141Cb 0.45 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 1vsy n ARG 4141CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vsy n ASP 4142N 3.28 -0.84 -0.56 0.55 2.03 -1.26 -4.87 116.55 114.88 1vsy n ASP 4142Ca 0.00 0.74 0.06 0.00 0.52 0.00 0.00 54.79 56.11 1vsy n ASP 4142Cb 0.00 -0.63 0.19 0.00 -0.72 0.00 0.00 41.12 39.97 1vsy n ASP 4142CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1vsy n ASP 4143N 1.32 2.50 -4.53 1.67 3.85 -1.26 -4.40 116.55 115.70 1vsy n ASP 4143Ca 0.12 -3.41 -0.42 0.00 -0.71 0.00 0.00 54.79 50.37 1vsy n ASP 4143Cb 0.17 -0.52 -0.08 0.00 -1.35 0.00 0.00 41.12 39.34 1vsy n ASP 4143CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1vsy s GLU 4144N -3.03 3.45 0.36 0.11 2.12 -1.26 -4.91 118.70 115.54 1vsy s GLU 4144Ca 0.38 -0.36 -0.26 0.00 0.36 0.00 0.00 54.97 55.09 1vsy s GLU 4144Cb 0.34 -3.86 -0.12 0.00 0.26 0.00 0.00 34.13 30.74 1vsy s GLU 4144CO 0.01 -0.72 0.93 -2.30 -0.54 0.00 0.00 175.26 172.64 1vsy n PRO 4145N 5.73 1.21 -4.34 4.30 -0.02 -1.26 -4.54 135.00 136.07 1vsy n PRO 4145Ca -0.06 0.43 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 1vsy n PRO 4145Cb 0.48 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 1vsy n PRO 4145CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1vsy s LYS 4146N -1.75 0.85 -0.02 -0.52 -0.14 -1.01 -5.03 119.74 112.12 1vsy s LYS 4146Ca 0.61 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1vsy s LYS 4146Cb -0.63 -0.80 0.03 0.00 -1.68 0.00 0.00 37.83 34.75 1vsy s LYS 4146CO 0.58 0.11 0.03 -1.17 -0.76 0.00 0.00 175.35 174.14 1vsy s LEU 4147N 0.14 1.13 0.25 3.17 0.20 -1.26 -2.65 118.68 119.65 1vsy s LEU 4147Ca -0.02 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1vsy s LEU 4147Cb -0.07 -0.07 -0.05 0.00 -0.43 0.00 0.00 46.19 45.57 1vsy s LEU 4147CO 0.00 -0.12 0.07 -0.31 -0.29 0.00 0.00 176.35 175.70 1vsy s TYR 4148N 1.02 1.53 -0.07 5.38 1.51 -0.58 -1.61 117.35 124.51 1vsy s TYR 4148Ca -0.08 -1.12 -0.05 0.00 -1.01 0.00 0.00 57.07 54.81 1vsy s TYR 4148Cb -0.12 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1vsy s TYR 4148CO -0.03 -0.27 0.18 -1.14 -1.11 0.00 0.00 175.55 173.19 1vsy s GLN 4149N -3.99 0.17 0.27 -0.62 0.74 -0.47 -1.87 119.66 113.88 1vsy s GLN 4149Ca 0.35 0.34 0.11 0.00 0.05 0.00 0.00 55.36 56.21 1vsy s GLN 4149Cb 0.07 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 1vsy s GLN 4149CO 0.12 -0.09 -0.13 0.95 -0.55 0.00 0.00 175.29 175.59 1vsy s THR 4150N 0.63 2.83 0.02 -0.34 -4.23 0.63 -2.24 115.64 112.93 1vsy s THR 4150Ca -0.04 -2.20 -0.14 0.00 -1.18 0.00 0.00 61.69 58.12 1vsy s THR 4150Cb -0.06 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1vsy s THR 4150CO -0.03 -0.37 0.30 -1.83 -0.54 0.00 0.00 174.62 172.15 1vsy s GLU 4151N -3.50 0.74 0.62 3.99 -1.05 -1.19 -1.74 118.70 116.57 1vsy s GLU 4151Ca 0.30 -0.36 0.19 0.00 -0.15 0.00 0.00 54.97 54.95 1vsy s GLU 4151Cb -0.06 0.32 0.71 0.00 -0.44 0.00 0.00 34.13 34.67 1vsy s GLU 4151CO 0.16 -0.22 1.27 -1.35 0.95 0.00 0.00 175.26 176.07 1vsy h PRO 4152N 3.53 0.00 0.34 -4.83 0.11 -1.80 -0.24 132.00 129.11 1vsy h PRO 4152Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1vsy h PRO 4152Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vsy h PRO 4152CO 0.43 0.00 -0.16 1.03 -0.21 0.00 0.00 178.00 179.09 1vsy h SER 4153N 0.00 -0.39 0.00 -2.05 0.87 -1.92 -3.40 113.55 106.66 1vsy h SER 4153Ca 0.31 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1vsy h SER 4153Cb 2.47 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.53 1vsy h SER 4153CO -0.00 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 1vsy n GLY 4154N -0.34 0.02 3.69 5.77 0.00 -0.10 -3.99 105.19 110.24 1vsy n GLY 4154Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1vsy n GLY 4154CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsy s ILE 4155N -0.46 5.18 -0.05 -0.61 1.09 -1.24 -4.64 121.20 120.46 1vsy s ILE 4155Ca 0.00 0.85 0.04 0.00 -1.10 0.00 0.00 60.65 60.44 1vsy s ILE 4155Cb 0.00 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1vsy s ILE 4155CO 0.00 0.27 -0.18 -0.72 -0.10 0.00 0.00 174.94 174.21 1vsy s TYR 4156N 1.09 2.61 0.03 3.97 1.13 -1.26 -3.18 117.35 121.74 1vsy s TYR 4156Ca 0.23 -0.35 0.02 0.00 -1.41 0.00 0.00 57.07 55.56 1vsy s TYR 4156Cb -0.15 -1.63 -0.02 0.00 -1.10 0.00 0.00 41.96 39.07 1vsy s TYR 4156CO 0.09 0.04 -0.07 -1.54 -2.51 0.00 0.00 175.55 171.56 1vsy s SER 4157N -0.50 0.73 -0.08 -0.18 1.04 -0.95 -4.98 113.70 108.79 1vsy s SER 4157Ca 0.06 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 1vsy s SER 4157Cb -0.12 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 1vsy s SER 4157CO 0.01 -0.13 0.25 -0.94 0.98 0.00 0.00 173.24 173.42 1vsy s SER 4158N -1.14 6.55 -0.00 7.02 1.04 -1.26 -1.37 113.70 124.54 1vsy s SER 4158Ca -0.07 0.66 0.04 0.00 0.48 0.00 0.00 55.95 57.06 1vsy s SER 4158Cb -0.08 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 1vsy s SER 4158CO 0.00 0.35 -0.13 0.26 0.98 0.00 0.00 173.24 174.71 1vsy s TRP 4159N -0.91 1.13 0.30 5.02 0.52 -0.63 -4.98 118.94 119.38 1vsy s TRP 4159Ca 0.18 -0.23 0.27 0.00 0.02 0.00 0.00 56.10 56.34 1vsy s TRP 4159Cb -0.14 -0.72 1.28 0.00 -1.15 0.00 0.00 33.47 32.74 1vsy s TRP 4159CO 0.08 -0.01 1.98 0.77 0.02 0.00 0.00 176.95 179.79 1vsy h SER 4160N 5.69 0.00 -4.18 2.95 0.02 -1.98 -3.40 113.55 112.65 1vsy h SER 4160Ca -0.34 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 60.96 1vsy h SER 4160Cb 1.17 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.51 1vsy h SER 4160CO 0.48 0.15 1.00 0.00 -1.14 0.00 0.00 176.83 177.32 1vsy s ALA 4161N -3.95 -2.25 0.02 3.77 0.00 -1.26 -2.22 121.76 115.87 1vsy s ALA 4161Ca -0.01 1.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1vsy s ALA 4161Cb 0.12 -0.37 0.10 0.00 0.00 0.00 0.00 23.12 22.97 1vsy s ALA 4161CO 0.60 -0.59 1.11 -1.14 0.00 0.00 0.00 175.76 175.74 1vsy s GLN 4162N -2.00 0.71 -0.02 0.00 2.00 -0.91 -5.02 119.66 114.42 1vsy s GLN 4162Ca 0.12 -0.36 -0.08 0.00 -2.00 0.00 0.00 55.36 53.04 1vsy s GLN 4162Cb -0.00 0.26 0.01 0.00 0.80 0.00 0.00 33.01 34.08 1vsy s GLN 4162CO -0.02 -0.32 0.18 -0.08 -0.50 0.00 0.00 175.29 174.54 1vsy s THR 4163N -2.80 0.06 0.02 -0.34 -1.32 -1.26 -1.43 115.64 108.57 1vsy s THR 4163Ca 0.12 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1vsy s THR 4163Cb 0.01 -0.43 -0.02 0.00 -1.51 0.00 0.00 72.50 70.55 1vsy s THR 4163CO -0.03 -0.28 -0.04 -0.51 -2.21 0.00 0.00 174.62 171.56 1vsy s ILE 4164N -1.04 0.18 -0.87 5.08 1.10 -0.10 -4.86 121.20 120.69 1vsy s ILE 4164Ca -0.11 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.08 1vsy s ILE 4164Cb -0.06 -0.33 0.00 0.00 0.15 0.00 0.00 42.46 42.22 1vsy s ILE 4164CO 0.02 -0.49 0.00 0.61 -2.11 0.00 0.00 174.94 172.97 1vsy n GLY 4165N 1.56 0.43 3.69 1.50 0.00 -1.26 -1.81 105.19 109.30 1vsy n GLY 4165Ca -0.24 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 1vsy n GLY 4165CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vsy s ARG 4166N -1.57 4.14 -1.49 1.61 1.70 -0.68 -3.66 118.95 119.00 1vsy s ARG 4166Ca 0.00 -0.14 -0.06 0.00 -0.47 0.00 0.00 55.73 55.07 1vsy s ARG 4166Cb 0.00 -3.49 0.02 0.00 -0.57 0.00 0.00 34.95 30.91 1vsy s ARG 4166CO 0.00 0.14 0.58 0.09 -1.08 0.00 0.00 175.30 175.02 1vsy n ASN 4167N 4.01 -5.56 0.19 -2.89 5.03 -1.26 -4.71 115.26 110.07 1vsy n ASN 4167Ca -0.14 -0.31 0.06 0.00 0.87 0.00 0.00 54.58 55.06 1vsy n ASN 4167Cb 0.52 -4.51 0.34 0.00 -1.02 0.00 0.00 39.78 35.11 1vsy n ASN 4167CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1vsy h SER 4168N -1.28 0.00 0.05 6.41 4.64 -1.91 -3.06 113.55 118.40 1vsy h SER 4168Ca -0.51 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 1vsy h SER 4168Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1vsy h SER 4168CO 0.56 0.37 -0.33 0.50 -0.87 0.00 0.00 176.83 177.06 1vsy h LYS 4169N 0.00 0.40 -0.24 4.77 3.64 -1.90 -0.88 116.57 122.37 1vsy h LYS 4169Ca -0.00 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1vsy h LYS 4169Cb 0.89 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1vsy h LYS 4169CO 0.05 0.69 -0.04 1.15 -2.27 0.00 0.00 179.45 179.03 1vsy h THR 4170N 0.35 1.17 0.10 1.00 2.02 -1.93 -2.37 112.91 113.25 1vsy h THR 4170Ca 0.04 -0.70 -0.19 0.00 0.77 0.00 0.00 66.41 66.33 1vsy h THR 4170Cb 0.76 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1vsy h THR 4170CO 0.06 0.23 -0.94 0.58 0.37 0.00 0.00 175.52 175.82 1vsy h VAL 4171N 0.35 1.33 -0.30 3.16 2.07 -1.53 -2.05 116.25 119.29 1vsy h VAL 4171Ca 0.08 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 65.21 1vsy h VAL 4171Cb 0.30 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1vsy h VAL 4171CO 0.01 0.66 0.20 -0.09 0.02 0.00 0.00 177.57 178.37 1vsy h ARG 4172N -0.50 0.24 -0.08 1.57 2.43 -1.15 0.30 114.38 117.19 1vsy h ARG 4172Ca -0.20 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 1vsy h ARG 4172Cb 1.56 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1vsy h ARG 4172CO 0.06 0.16 -0.20 1.49 -1.51 0.00 0.00 179.97 179.97 1vsy h GLU 4173N 0.24 0.28 0.05 0.20 4.57 -1.48 -2.46 114.58 115.98 1vsy h GLU 4173Ca 0.13 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1vsy h GLU 4173Cb 0.20 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1vsy h GLU 4173CO -0.02 0.80 -0.29 0.35 -1.18 0.00 0.00 179.01 178.67 1vsy h PHE 4174N -0.19 -0.78 -0.27 0.92 3.57 -0.49 -3.14 116.94 116.56 1vsy h PHE 4174Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1vsy h PHE 4174Cb 0.80 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1vsy h PHE 4174CO 0.12 -0.38 0.16 -0.07 -2.23 0.00 0.00 178.31 175.90 1vsy h LEU 4175N -0.46 0.27 -0.96 0.59 3.38 -0.51 -2.53 115.31 115.09 1vsy h LEU 4175Ca 0.05 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1vsy h LEU 4175Cb 0.52 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 1vsy h LEU 4175CO -0.21 0.20 0.54 -0.33 0.09 0.00 0.00 178.44 178.72 1vsy h GLU 4176N 0.33 0.61 -0.58 1.13 5.08 -1.43 0.27 114.58 119.99 1vsy h GLU 4176Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vsy h GLU 4176Cb -0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1vsy h GLU 4176CO -0.04 0.40 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 1vsy n LYS 4177N -4.87 2.53 0.00 2.33 5.02 -0.97 -4.10 118.16 118.10 1vsy n LYS 4177Ca 0.23 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 1vsy n LYS 4177Cb 0.61 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1vsy n LYS 4177CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vsy n ASN 4178N 0.54 0.67 -4.67 4.39 3.02 0.70 -5.05 115.26 114.87 1vsy n ASN 4178Ca 0.15 -0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.29 1vsy n ASN 4178Cb 0.55 0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 39.89 1vsy n ASN 4178CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vsy s TYR 4179N -0.40 3.12 0.00 3.10 5.04 0.13 -5.06 117.35 123.27 1vsy s TYR 4179Ca 0.00 0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 1vsy s TYR 4179Cb 0.00 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.55 1vsy s TYR 4179CO 0.00 0.45 -0.03 0.16 -1.34 0.00 0.00 175.55 174.79 1vsy s ASP 4180N -1.02 0.40 0.25 4.32 3.84 -1.26 -4.86 116.67 118.33 1vsy s ASP 4180Ca 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 52.55 52.57 1vsy s ASP 4180Cb -0.11 -0.03 0.31 0.00 -1.38 0.00 0.00 42.92 41.71 1vsy s ASP 4180CO 0.04 0.02 1.76 0.03 -0.00 0.00 0.00 175.17 177.02 1vsy h ARG 4181N 5.94 0.85 -0.60 2.11 3.08 -2.00 -3.06 114.38 120.70 1vsy h ARG 4181Ca -0.27 -0.22 0.12 0.00 0.07 0.00 0.00 59.98 59.68 1vsy h ARG 4181Cb 1.20 -0.11 -0.12 0.00 0.08 0.00 0.00 29.97 31.03 1vsy h ARG 4181CO 0.50 0.82 -0.17 1.57 -1.07 0.00 0.00 179.97 181.62 1vsy h LYS 4182N 0.80 -0.02 -3.82 0.04 2.10 -2.06 -3.32 116.57 110.29 1vsy h LYS 4182Ca 0.16 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.20 1vsy h LYS 4182Cb 0.41 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.35 1vsy h LYS 4182CO 0.01 -0.01 -0.73 -1.21 -2.00 0.00 0.00 179.45 175.51 1vsy s GLU 4183N -6.21 1.15 0.22 0.07 0.41 -1.16 -5.12 118.70 108.06 1vsy s GLU 4183Ca -0.14 -1.60 -0.25 0.00 -0.41 0.00 0.00 54.97 52.57 1vsy s GLU 4183Cb 0.18 -2.54 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 1vsy s GLU 4183CO 0.73 -1.01 0.82 -2.14 -0.49 0.00 0.00 175.26 173.17 1vsy s PRO 4184N 1.04 4.53 -0.94 0.39 0.02 -1.23 -4.47 135.00 134.35 1vsy s PRO 4184Ca 0.12 1.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.15 1vsy s PRO 4184Cb -0.20 -3.08 -0.28 0.00 0.02 0.00 0.00 34.50 30.97 1vsy s PRO 4184CO -0.14 0.46 2.27 -2.30 -0.33 0.00 0.00 177.00 176.97 1vsy n PRO 4185N 1.16 0.15 -0.04 5.54 -0.02 -1.26 -4.39 135.00 136.14 1vsy n PRO 4185Ca -0.03 -0.18 -0.13 0.00 -2.02 0.00 0.00 63.50 61.14 1vsy n PRO 4185Cb 0.49 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 1vsy n PRO 4185CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsy h ALA 4186N 11.75 0.13 -2.83 3.55 0.00 -1.94 -2.94 119.26 126.97 1vsy h ALA 4186Ca 0.01 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 54.10 1vsy h ALA 4186Cb 1.13 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.98 1vsy h ALA 4186CO 1.46 -0.05 0.86 0.99 0.00 0.00 0.00 179.25 182.51 1vsy s THR 4187N -4.30 2.08 0.09 0.00 2.01 -1.26 -4.45 115.64 109.81 1vsy s THR 4187Ca -0.15 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 1vsy s THR 4187Cb 0.04 -3.05 -0.13 0.00 0.01 0.00 0.00 72.50 69.37 1vsy s THR 4187CO 0.72 0.01 1.49 0.58 -0.69 0.00 0.00 174.62 176.74 1vsy h VAL 4188N 3.29 0.00 -0.48 3.82 2.07 -1.92 -2.32 116.25 120.71 1vsy h VAL 4188Ca -0.48 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.14 1vsy h VAL 4188Cb 1.22 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 1vsy h VAL 4188CO 0.76 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 178.05 1vsy h GLU 4189N -0.69 -0.10 0.00 1.57 4.81 -1.97 -2.25 114.58 115.94 1vsy h GLU 4189Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1vsy h GLU 4189Cb 0.69 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1vsy h GLU 4189CO -0.24 -0.07 -0.04 1.05 -0.73 0.00 0.00 179.01 178.97 1vsy h GLU 4190N -0.11 0.00 -0.10 1.92 4.11 -1.92 -2.59 114.58 115.90 1vsy h GLU 4190Ca 0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.57 1vsy h GLU 4190Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1vsy h GLU 4190CO -0.55 0.04 -0.30 0.00 0.07 0.00 0.00 179.01 178.27 1vsy h VAL 4192N 0.17 1.34 -0.86 0.00 2.07 -1.51 -3.23 116.25 114.22 1vsy h VAL 4192Ca 0.02 -2.30 0.34 0.00 0.82 0.00 0.00 66.70 65.58 1vsy h VAL 4192Cb 0.63 2.64 -0.16 0.00 -1.52 0.00 0.00 31.29 32.88 1vsy h VAL 4192CO 0.05 0.69 0.40 1.17 0.02 0.00 0.00 177.57 179.90 1vsy n LYS 4193N -3.96 -0.05 0.07 1.57 4.81 -0.95 -0.47 118.16 119.17 1vsy n LYS 4193Ca -0.12 1.20 -0.21 0.00 -0.87 0.00 0.00 58.31 58.31 1vsy n LYS 4193Cb 0.86 -2.13 -0.15 0.00 0.02 0.00 0.00 35.03 33.63 1vsy n LYS 4193CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1vsy h LEU 4194N 0.00 0.57 -1.91 3.14 5.85 -1.56 -3.31 115.31 118.08 1vsy h LEU 4194Ca 0.70 -0.94 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1vsy h LEU 4194Cb 1.82 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 1vsy h LEU 4194CO -0.69 1.50 -0.10 0.74 -0.34 0.00 0.00 178.44 179.56 1vsy h THR 4195N -0.23 0.90 0.47 1.05 2.02 -0.79 -2.89 112.91 113.44 1vsy h THR 4195Ca -0.19 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1vsy h THR 4195Cb 1.80 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1vsy h THR 4195CO 0.18 0.10 -0.22 0.58 0.37 0.00 0.00 175.52 176.52 1vsy h VAL 4196N 0.00 0.00 -0.95 3.16 2.07 -1.56 -3.19 116.25 115.77 1vsy h VAL 4196Ca -0.00 -0.24 0.37 0.00 0.82 0.00 0.00 66.70 67.65 1vsy h VAL 4196Cb 0.19 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.79 1vsy h VAL 4196CO 0.01 0.00 0.41 0.54 0.02 0.00 0.00 177.57 178.55 1vsy n ARG 4197N -4.35 -0.06 0.04 1.57 1.74 -1.11 -0.25 116.66 114.25 1vsy n ARG 4197Ca -0.08 1.34 0.12 0.00 -0.77 0.00 0.00 57.85 58.46 1vsy n ARG 4197Cb 0.25 -2.35 0.47 0.00 -1.02 0.00 0.00 32.46 29.81 1vsy n ARG 4197CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsy n SER 4198N -5.22 0.29 -0.04 0.55 3.41 -1.11 -2.70 113.62 108.80 1vsy n SER 4198Ca 0.33 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1vsy n SER 4198Cb 1.12 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1vsy n SER 4198CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vsy n LEU 4199N -1.79 0.00 0.27 1.04 4.77 0.66 -4.32 117.00 117.63 1vsy n LEU 4199Ca 0.05 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 1vsy n LEU 4199Cb 0.30 0.20 0.93 0.00 -2.33 0.00 0.00 43.42 42.51 1vsy n LEU 4199CO 0.23 0.20 1.15 -0.07 -1.33 0.00 0.00 177.39 177.57 1vsy h LEU 4200N 0.00 0.00 -0.79 2.23 3.38 -1.18 -1.06 115.31 117.89 1vsy h LEU 4200Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1vsy h LEU 4200Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1vsy h LEU 4200CO 0.01 0.00 -0.28 -0.33 0.09 0.00 0.00 178.44 177.93 1vsy h GLU 4201N 0.00 0.60 0.00 1.13 4.39 -1.75 -3.35 114.58 115.60 1vsy h GLU 4201Ca 0.04 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1vsy h GLU 4201Cb 0.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1vsy h GLU 4201CO -0.00 0.82 -0.73 0.28 -1.16 0.00 0.00 179.01 178.22 1vsy n VAL 4202N -4.10 0.00 0.00 3.13 0.31 -0.51 -5.02 118.33 112.15 1vsy n VAL 4202Ca -0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1vsy n VAL 4202Cb 0.44 0.76 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 1vsy n VAL 4202CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1vsy n VAL 4203N -1.40 0.00 -1.42 2.52 0.24 -0.55 -5.02 118.33 112.69 1vsy n VAL 4203Ca 0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.30 1vsy n VAL 4203Cb 0.16 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.52 1vsy n VAL 4203CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsy n GLN 4204N 0.00 0.00 0.00 7.34 6.02 -1.26 -5.00 117.38 124.48 1vsy n GLN 4204Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1vsy n GLN 4204Cb 0.00 0.20 0.00 0.00 1.02 0.00 0.00 30.24 31.46 1vsy n GLN 4204CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1vsy n THR 4205N 0.00 0.00 0.00 5.09 5.66 -1.26 -5.07 114.28 118.70 1vsy n THR 4205Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1vsy n THR 4205Cb 0.23 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1vsy n THR 4205CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vsy n GLY 4206N -0.75 0.25 0.41 1.09 0.00 -1.26 -4.85 105.19 100.08 1vsy n GLY 4206Ca 0.00 -1.60 0.23 0.00 0.00 0.00 0.00 46.02 44.65 1vsy n GLY 4206CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy h ALA 4207N 0.00 2.25 0.00 4.61 0.00 -1.92 0.50 119.26 124.69 1vsy h ALA 4207Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vsy h ALA 4207Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vsy h ALA 4207CO 0.00 -0.66 0.00 1.63 0.00 0.00 0.00 179.25 180.22 1vsy n LYS 4208N -4.63 0.46 -0.12 0.00 5.02 -1.26 -3.85 118.16 113.77 1vsy n LYS 4208Ca 0.26 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 1vsy n LYS 4208Cb 0.90 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1vsy n LYS 4208CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vsy n ASN 4209N -1.04 1.81 -3.99 4.39 5.15 0.17 -3.97 115.26 117.78 1vsy n ASN 4209Ca 0.11 0.31 -0.18 0.00 -0.60 0.00 0.00 54.58 54.22 1vsy n ASN 4209Cb 0.06 -0.74 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 1vsy n ASN 4209CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1vsy s ILE 4210N -2.55 0.63 0.55 -1.44 1.01 -1.24 -3.55 121.20 114.60 1vsy s ILE 4210Ca -0.34 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1vsy s ILE 4210Cb 0.12 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1vsy s ILE 4210CO 0.44 0.19 0.23 -0.62 0.00 0.00 0.00 174.94 175.17 1vsy n GLU 4211N 3.03 0.69 -3.87 2.79 -0.58 -1.25 -4.85 120.64 116.59 1vsy n GLU 4211Ca -0.15 -3.66 -0.09 0.00 -0.42 0.00 0.00 57.16 52.84 1vsy n GLU 4211Cb 0.56 0.67 -0.08 0.00 -0.57 0.00 0.00 31.44 32.03 1vsy n GLU 4211CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1vsy s ILE 4212N -2.84 0.13 0.24 -3.67 -4.36 -1.26 -2.63 121.20 106.81 1vsy s ILE 4212Ca 0.17 -1.10 0.10 0.00 -0.26 0.00 0.00 60.65 59.57 1vsy s ILE 4212Cb -0.01 -1.13 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 1vsy s ILE 4212CO 0.11 -0.61 -0.18 -0.89 0.24 0.00 0.00 174.94 173.61 1vsy s THR 4213N -3.21 2.16 -0.10 8.37 2.01 -1.26 -0.87 115.64 122.73 1vsy s THR 4213Ca 0.00 -2.27 -0.04 0.00 0.31 0.00 0.00 61.69 59.69 1vsy s THR 4213Cb 0.02 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.43 1vsy s THR 4213CO -0.07 -0.44 0.19 -0.69 -0.69 0.00 0.00 174.62 172.92 1vsy s VAL 4214N -2.56 -0.30 -0.15 3.82 1.01 -1.21 -2.87 120.40 118.14 1vsy s VAL 4214Ca 0.25 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1vsy s VAL 4214Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1vsy s VAL 4214CO 0.11 0.11 -0.10 0.54 0.00 0.00 0.00 175.10 175.76 1vsy s VAL 4215N 2.33 3.22 0.27 2.92 0.11 -0.96 -1.34 120.40 126.95 1vsy s VAL 4215Ca 0.03 -0.59 0.11 0.00 -2.93 0.00 0.00 61.98 58.61 1vsy s VAL 4215Cb -0.12 -2.39 -0.05 0.00 -1.53 0.00 0.00 36.38 32.29 1vsy s VAL 4215CO -0.07 0.50 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.49 1vsy s LYS 4216N 0.57 1.77 0.28 1.54 1.02 -0.93 -2.13 119.74 121.86 1vsy s LYS 4216Ca -0.06 -1.67 -0.25 0.00 0.02 0.00 0.00 55.97 54.00 1vsy s LYS 4216Cb -0.15 -1.85 -0.16 0.00 -0.52 0.00 0.00 37.83 35.14 1vsy s LYS 4216CO 0.03 0.35 0.35 -2.30 -0.92 0.00 0.00 175.35 172.86 1vsy n PRO 4217N -0.55 0.01 -2.89 -1.68 -0.02 -1.26 -2.89 135.00 125.72 1vsy n PRO 4217Ca -0.06 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.35 1vsy n PRO 4217Cb 0.59 -1.01 0.03 0.00 -0.02 0.00 0.00 33.50 33.10 1vsy n PRO 4217CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vsy n ASP 4218N 2.13 -6.26 -3.90 2.55 10.43 -1.26 -4.02 116.55 116.21 1vsy n ASP 4218Ca 0.15 -0.37 -0.29 0.00 2.57 0.00 0.00 54.79 56.85 1vsy n ASP 4218Cb 0.31 -4.49 0.02 0.00 1.84 0.00 0.00 41.12 38.80 1vsy n ASP 4218CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1vsy n SER 4219N -2.41 -3.60 -3.72 -2.24 7.64 -1.25 -4.91 113.62 103.13 1vsy n SER 4219Ca -0.03 -0.82 -0.32 0.00 1.01 0.00 0.00 58.87 58.70 1vsy n SER 4219Cb 0.56 -3.76 -0.06 0.00 -1.01 0.00 0.00 64.21 59.93 1vsy n SER 4219CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vsy n ASP 4220N -2.88 4.38 -4.50 6.43 -0.08 -1.14 -4.82 116.55 113.94 1vsy n ASP 4220Ca -0.05 -3.36 -0.42 0.00 -1.51 0.00 0.00 54.79 49.44 1vsy n ASP 4220Cb 0.57 -0.88 -0.09 0.00 2.34 0.00 0.00 41.12 43.05 1vsy n ASP 4220CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1vsy s ILE 4221N -2.27 5.16 -0.43 5.18 1.01 -1.26 -2.18 121.20 126.41 1vsy s ILE 4221Ca 0.34 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1vsy s ILE 4221Cb 0.07 -3.92 0.12 0.00 0.01 0.00 0.00 42.46 38.74 1vsy s ILE 4221CO -0.02 -0.26 0.18 0.68 0.00 0.00 0.00 174.94 175.52 1vsy s VAL 4222N 1.98 2.04 0.41 2.92 -7.23 -0.45 -4.99 120.40 115.08 1vsy s VAL 4222Ca 0.10 -2.68 -0.26 0.00 -1.81 0.00 0.00 61.98 57.33 1vsy s VAL 4222Cb -0.17 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 1vsy s VAL 4222CO 0.12 -0.76 1.30 0.00 -0.31 0.00 0.00 175.10 175.45 1vsy s ALA 4223N 0.38 3.25 0.19 1.32 0.00 -1.26 -3.31 121.76 122.32 1vsy s ALA 4223Ca 0.15 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 1vsy s ALA 4223Cb -0.23 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1vsy s ALA 4223CO -0.05 -0.82 0.64 -0.51 0.00 0.00 0.00 175.76 175.03 1vsy s LEU 4224N -2.45 4.33 0.00 0.00 1.43 -0.05 -4.92 118.68 117.01 1vsy s LEU 4224Ca 0.57 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1vsy s LEU 4224Cb -0.38 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.40 1vsy s LEU 4224CO 0.48 0.05 0.09 -1.54 0.23 0.00 0.00 176.35 175.66 1vsy n SER 4225N 0.70 0.14 -0.11 2.29 3.41 -1.26 -4.50 113.62 114.28 1vsy n SER 4225Ca -0.03 -1.11 -0.14 0.00 -0.26 0.00 0.00 58.87 57.33 1vsy n SER 4225Cb 0.52 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1vsy n SER 4225CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1vsy h SER 4226N -0.04 0.99 1.14 4.04 0.02 -1.98 -3.18 113.55 114.54 1vsy h SER 4226Ca -0.03 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.37 1vsy h SER 4226Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1vsy h SER 4226CO 0.03 1.27 -0.31 -0.33 -1.14 0.00 0.00 176.83 176.35 1vsy h GLU 4227N 0.73 0.00 0.00 3.45 3.07 -1.98 -2.68 114.58 117.16 1vsy h GLU 4227Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1vsy h GLU 4227Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1vsy h GLU 4227CO 0.10 0.31 -0.50 0.93 -1.40 0.00 0.00 179.01 178.46 1vsy h GLU 4228N 0.00 0.00 0.00 2.33 5.08 -1.96 -3.21 114.58 116.81 1vsy h GLU 4228Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 4228Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1vsy h GLU 4228CO 0.04 0.00 -0.45 0.82 -1.00 0.00 0.00 179.01 178.42 1vsy h ILE 4229N 0.00 0.00 -0.47 3.13 2.04 -1.45 -3.28 117.51 117.47 1vsy h ILE 4229Ca 0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1vsy h ILE 4229Cb 0.87 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1vsy h ILE 4229CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 1vsy n ASN 4230N -2.78 3.27 -1.33 1.72 4.13 -1.10 -2.58 115.26 116.59 1vsy n ASN 4230Ca 0.02 -1.99 0.10 0.00 1.68 0.00 0.00 54.58 54.39 1vsy n ASN 4230Cb 0.52 -0.32 0.31 0.00 -1.54 0.00 0.00 39.78 38.75 1vsy n ASN 4230CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vsy n GLN 4231N 0.93 2.95 0.04 3.52 6.02 -1.21 -3.94 117.38 125.68 1vsy n GLN 4231Ca 0.16 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.69 1vsy n GLN 4231Cb 0.49 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1vsy n GLN 4231CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1vsy n TYR 4232N 1.24 -0.05 -0.23 1.08 4.01 -1.23 -4.51 117.16 117.47 1vsy n TYR 4232Ca 0.23 0.01 0.02 0.00 -0.16 0.00 0.00 57.90 57.99 1vsy n TYR 4232Cb 0.67 0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.86 1vsy n TYR 4232CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1vsy h VAL 4233N 0.00 0.77 -0.89 -0.72 -1.51 -1.73 0.13 116.25 112.30 1vsy h VAL 4233Ca 0.00 -0.17 -0.45 0.00 -1.23 0.00 0.00 66.70 64.85 1vsy h VAL 4233Cb 0.00 0.23 -0.17 0.00 -2.13 0.00 0.00 31.29 29.22 1vsy h VAL 4233CO 0.00 0.09 0.42 0.35 -1.23 0.00 0.00 177.57 177.20 1vsy n THR 4234N -4.94 3.17 -1.78 7.19 -2.24 -1.25 -2.04 114.28 112.38 1vsy n THR 4234Ca 0.11 -2.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.30 1vsy n THR 4234Cb 0.31 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1vsy n THR 4234CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1vsy n GLN 4235N 0.65 0.00 -0.07 -0.78 7.27 0.23 -4.85 117.38 119.83 1vsy n GLN 4235Ca 0.44 -0.04 -0.06 0.00 0.07 0.00 0.00 57.00 57.41 1vsy n GLN 4235Cb 0.56 -0.11 -0.02 0.00 2.41 0.00 0.00 30.24 33.08 1vsy n GLN 4235CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1vsy n ILE 4236N 0.00 1.24 0.80 1.69 5.41 0.08 -4.45 119.36 124.13 1vsy n ILE 4236Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1vsy n ILE 4236Cb 0.33 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.03 1vsy n ILE 4236CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vsy n GLU 4237N -4.18 0.44 -0.04 0.38 1.02 -0.87 -1.55 120.64 115.85 1vsy n GLU 4237Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 1vsy n GLU 4237Cb 0.37 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.74 1vsy n GLU 4237CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1vsy h GLN 4238N 0.11 0.00 -0.32 3.49 4.20 -1.82 -3.38 115.11 117.38 1vsy h GLN 4238Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1vsy h GLN 4238Cb 0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1vsy h GLN 4238CO 0.00 0.00 0.26 0.93 -0.67 0.00 0.00 178.83 179.35 1vsy h GLU 4239N -0.67 0.00 0.00 1.46 5.08 -1.50 -3.19 114.58 115.76 1vsy h GLU 4239Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 4239Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1vsy h GLU 4239CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1vsy n LYS 4240N -4.24 0.00 0.15 2.33 4.81 -0.63 -2.96 118.16 117.61 1vsy n LYS 4240Ca 0.05 0.50 0.10 0.00 -0.87 0.00 0.00 58.31 58.08 1vsy n LYS 4240Cb 0.42 -1.27 0.51 0.00 0.02 0.00 0.00 35.03 34.72 1vsy n LYS 4240CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1vsy n GLN 4241N -1.66 0.12 -2.01 1.64 6.02 -1.21 -4.53 117.38 115.77 1vsy n GLN 4241Ca 0.00 0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 57.29 1vsy n GLN 4241Cb 0.00 -1.94 -0.04 0.00 1.02 0.00 0.00 30.24 29.28 1vsy n GLN 4241CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1vsy s GLU 4242N -3.48 2.53 0.00 -1.09 2.02 -1.16 -5.17 118.70 112.36 1vsy s GLU 4242Ca -0.02 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1vsy s GLU 4242Cb 0.05 -4.72 0.00 0.00 0.10 0.00 0.00 34.13 29.57 1vsy s GLU 4242CO 0.17 -3.11 0.37 0.94 0.02 0.00 0.00 175.26 173.65